#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qrk n GLY 10 N 0.00 0.26 0.37 -0.02 0.00 -1.26 -3.91 105.19 100.63 1qrk n GLY 10 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 1qrk n GLY 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qrk h ARG 11 N 0.00 -0.86 -3.84 1.61 9.65 -2.08 -3.47 114.38 115.39 1qrk h ARG 11 Ca 0.00 0.06 -0.16 0.00 -1.10 0.00 0.00 59.98 58.77 1qrk h ARG 11 Cb 0.00 0.20 -0.21 0.00 -1.39 0.00 0.00 29.97 28.56 1qrk h ARG 11 CO 0.00 -0.56 -0.64 -0.98 2.80 0.00 0.00 179.97 180.59 1qrk s ARG 12 N -4.66 0.35 0.18 0.20 1.70 -1.25 -5.06 118.95 110.40 1qrk s ARG 12 Ca -0.14 -0.53 -0.14 0.00 -0.47 0.00 0.00 55.73 54.46 1qrk s ARG 12 Cb 0.02 0.13 0.13 0.00 -0.57 0.00 0.00 34.95 34.65 1qrk s ARG 12 CO 0.43 -0.07 1.78 0.00 -1.08 0.00 0.00 175.30 176.36 1qrk h ALA 13 N 4.60 0.61 -4.21 7.88 0.00 -1.91 -3.28 119.26 122.95 1qrk h ALA 13 Ca -0.31 0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.07 1qrk h ALA 13 Cb 1.21 -0.05 -0.28 0.00 0.00 0.00 0.00 17.79 18.67 1qrk h ALA 13 CO 0.41 -0.13 -0.84 0.14 0.00 0.00 0.00 179.25 178.84 1qrk s VAL 14 N -6.14 1.48 1.26 0.00 -7.23 -1.26 -4.49 120.40 104.02 1qrk s VAL 14 Ca -0.13 -0.92 -0.18 0.00 -1.81 0.00 0.00 61.98 58.93 1qrk s VAL 14 Cb 0.13 -1.26 0.31 0.00 0.56 0.00 0.00 36.38 36.13 1qrk s VAL 14 CO 0.73 0.31 1.02 -2.84 -0.31 0.00 0.00 175.10 174.01 1qrk s PRO 15 N -0.71 -1.64 0.24 4.82 0.02 -1.26 -4.98 135.00 131.48 1qrk s PRO 15 Ca 0.07 0.28 -0.18 0.00 0.02 0.00 0.00 61.00 61.19 1qrk s PRO 15 Cb -0.08 -1.52 -0.08 0.00 0.02 0.00 0.00 34.50 32.84 1qrk s PRO 15 CO 0.00 -4.06 0.71 -1.25 -0.33 0.00 0.00 177.00 172.07 1qrk s PRO 16 N -5.00 4.15 -0.47 5.54 0.04 -1.26 -4.97 135.00 133.03 1qrk s PRO 16 Ca 0.69 0.77 -0.07 0.00 0.04 0.00 0.00 61.00 62.43 1qrk s PRO 16 Cb -0.16 -2.76 0.12 0.00 0.04 0.00 0.00 34.50 31.74 1qrk s PRO 16 CO 0.59 0.34 0.31 0.54 0.04 0.00 0.00 177.00 178.82 1qrk s ASN 17 N -1.83 5.53 -0.23 6.66 4.22 -1.26 -4.86 114.94 123.17 1qrk s ASN 17 Ca 0.45 -2.05 0.10 0.00 -2.14 0.00 0.00 52.86 49.23 1qrk s ASN 17 Cb -0.15 -1.94 0.43 0.00 1.28 0.00 0.00 41.25 40.88 1qrk s ASN 17 CO 0.20 -0.61 1.21 -0.46 -2.04 0.00 0.00 177.10 175.39 1qrk n ASN 18 N 4.67 2.78 -3.74 3.54 0.23 -1.26 -1.48 115.26 120.00 1qrk n ASN 18 Ca -0.04 -3.80 -0.14 0.00 -0.53 0.00 0.00 54.58 50.08 1qrk n ASN 18 Cb 0.41 -0.46 -0.14 0.00 -2.08 0.00 0.00 39.78 37.51 1qrk n ASN 18 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1qrk s SER 19 N -3.34 -0.06 0.00 0.53 0.15 -1.26 -3.75 113.70 105.96 1qrk s SER 19 Ca 0.42 0.35 0.25 0.00 0.70 0.00 0.00 55.95 57.67 1qrk s SER 19 Cb 0.38 0.25 0.44 0.00 -1.71 0.00 0.00 66.02 65.37 1qrk s SER 19 CO -0.03 -0.16 1.36 -3.20 1.20 0.00 0.00 173.24 172.41 1qrk n ASN 20 N 4.32 0.62 0.01 5.45 4.05 -1.26 -4.05 115.26 124.40 1qrk n ASN 20 Ca -0.24 -0.41 -0.22 0.00 0.45 0.00 0.00 54.58 54.16 1qrk n ASN 20 Cb 0.52 0.33 -0.14 0.00 1.23 0.00 0.00 39.78 41.72 1qrk n ASN 20 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1qrk h ALA 21 N 3.07 0.33 -2.64 5.20 0.00 -1.95 -3.41 119.26 119.86 1qrk h ALA 21 Ca 0.00 -1.29 -0.54 0.00 0.00 0.00 0.00 54.91 53.09 1qrk h ALA 21 Cb 0.50 0.63 0.07 0.00 0.00 0.00 0.00 17.79 19.00 1qrk h ALA 21 CO 0.00 1.14 0.90 0.00 0.00 0.00 0.00 179.25 181.29 1qrk n ALA 22 N -3.00 2.43 -2.77 0.00 0.00 -1.26 -4.97 120.51 110.93 1qrk n ALA 22 Ca -0.30 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.38 1qrk n ALA 22 Cb 1.01 -2.46 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 1qrk n ALA 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1qrk s GLU 23 N 0.25 0.68 0.08 0.00 -1.05 -1.26 -3.06 118.70 114.34 1qrk s GLU 23 Ca 0.70 -0.87 0.08 0.00 -0.15 0.00 0.00 54.97 54.73 1qrk s GLU 23 Cb -0.53 -0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 32.56 1qrk s GLU 23 CO 0.42 0.12 -0.19 0.16 0.95 0.00 0.00 175.26 176.72 1qrk s ASP 24 N -1.68 3.79 -0.25 0.83 -4.77 -1.26 -4.85 116.67 108.48 1qrk s ASP 24 Ca -0.06 -0.50 -0.09 0.00 -3.30 0.00 0.00 52.55 48.60 1qrk s ASP 24 Cb -0.10 -0.55 -0.04 0.00 -1.09 0.00 0.00 42.92 41.13 1qrk s ASP 24 CO 0.01 0.22 0.13 -0.62 0.70 0.00 0.00 175.17 175.62 1qrk s ASP 25 N -1.75 5.75 0.30 2.11 -1.08 -1.26 -5.04 116.67 115.70 1qrk s ASP 25 Ca 0.16 -0.02 -0.29 0.00 -0.52 0.00 0.00 52.55 51.88 1qrk s ASP 25 Cb -0.10 -2.04 -0.10 0.00 -1.46 0.00 0.00 42.92 39.21 1qrk s ASP 25 CO 0.07 0.02 1.24 -0.76 0.52 0.00 0.00 175.17 176.25 1qrk s LEU 26 N 1.35 4.47 0.57 -1.34 1.43 -1.26 -4.99 118.68 118.91 1qrk s LEU 26 Ca 0.06 2.52 -0.20 0.00 -1.03 0.00 0.00 54.13 55.49 1qrk s LEU 26 Cb -0.15 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1qrk s LEU 26 CO 0.06 -0.40 1.23 -2.16 0.23 0.00 0.00 176.35 175.31 1qrk s PRO 27 N -1.52 3.08 0.17 1.29 0.04 -1.26 -4.92 135.00 131.89 1qrk s PRO 27 Ca 0.48 1.90 0.14 0.00 0.04 0.00 0.00 61.00 63.56 1qrk s PRO 27 Cb -0.37 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1qrk s PRO 27 CO 0.48 -1.14 1.20 1.79 0.04 0.00 0.00 177.00 179.36 1qrk h THR 28 N 1.09 0.87 -3.20 1.26 1.35 -1.85 -3.42 112.91 109.01 1qrk h THR 28 Ca -0.50 -2.34 -0.49 0.00 -0.55 0.00 0.00 66.41 62.53 1qrk h THR 28 Cb 1.29 2.36 -0.40 0.00 -1.73 0.00 0.00 68.15 69.68 1qrk h THR 28 CO 0.56 0.50 -0.76 0.54 -0.25 0.00 0.00 175.52 176.11 1qrk s VAL 29 N -2.90 0.29 0.00 6.82 0.11 -1.26 -0.55 120.40 122.91 1qrk s VAL 29 Ca 0.01 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1qrk s VAL 29 Cb 0.08 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1qrk s VAL 29 CO 0.78 -0.17 0.00 -1.84 -3.33 0.00 0.00 175.10 170.54 1qrk n GLU 30 N 5.14 0.00 -0.46 1.54 0.28 -0.32 -5.02 120.64 121.81 1qrk n GLU 30 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1qrk n GLU 30 Cb 0.48 -0.13 0.00 0.00 1.43 0.00 0.00 31.44 33.23 1qrk n GLU 30 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1qrk n LEU 45 N 0.00 0.00 -3.59 -1.84 7.94 -1.26 -4.98 117.00 113.27 1qrk n LEU 45 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1qrk n LEU 45 Cb 0.00 -0.86 -0.05 0.00 0.53 0.00 0.00 43.42 43.04 1qrk n LEU 45 CO 0.00 0.00 0.83 0.54 -1.11 0.00 0.00 177.39 177.65 1qrk s ASN 46 N -2.53 -0.32 0.16 1.96 4.22 -1.26 -5.00 114.94 112.17 1qrk s ASN 46 Ca 0.00 0.34 -0.19 0.00 -2.14 0.00 0.00 52.86 50.87 1qrk s ASN 46 Cb 0.00 0.26 -0.07 0.00 1.28 0.00 0.00 41.25 42.72 1qrk s ASN 46 CO 0.00 -0.30 0.65 0.54 -2.04 0.00 0.00 177.10 175.95 1qrk s VAL 47 N -1.12 4.65 -0.03 3.54 0.11 -1.26 0.03 120.40 126.32 1qrk s VAL 47 Ca 0.00 1.21 0.08 0.00 -2.93 0.00 0.00 61.98 60.34 1qrk s VAL 47 Cb -0.01 -3.87 -0.12 0.00 -1.53 0.00 0.00 36.38 30.85 1qrk s VAL 47 CO 0.00 0.34 0.14 0.35 -3.33 0.00 0.00 175.10 172.61 1qrk n THR 48 N 1.10 0.12 -3.63 5.04 -2.24 0.51 -4.82 114.28 110.36 1qrk n THR 48 Ca -0.05 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1qrk n THR 48 Cb 0.51 0.05 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 1qrk n THR 48 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qrk s SER 49 N -3.18 -0.53 -0.16 3.42 1.04 -1.18 -5.01 113.70 108.11 1qrk s SER 49 Ca -0.03 0.99 0.02 0.00 0.48 0.00 0.00 55.95 57.40 1qrk s SER 49 Cb 0.05 0.99 0.02 0.00 0.10 0.00 0.00 66.02 67.18 1qrk s SER 49 CO 0.33 -0.19 -0.20 -0.69 0.98 0.00 0.00 173.24 173.47 1qrk s VAL 50 N 0.17 1.96 -0.15 5.02 1.01 -1.26 -0.66 120.40 126.49 1qrk s VAL 50 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1qrk s VAL 50 Cb -0.05 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 1qrk s VAL 50 CO -0.04 0.53 -0.15 -2.28 0.00 0.00 0.00 175.10 173.16 1qrk s HIS 51 N 1.11 2.79 0.28 5.22 5.04 0.35 -4.96 115.29 125.11 1qrk s HIS 51 Ca -0.00 -0.94 0.08 0.00 -1.54 0.00 0.00 55.06 52.65 1qrk s HIS 51 Cb -0.14 -1.88 -0.04 0.00 0.04 0.00 0.00 32.58 30.56 1qrk s HIS 51 CO -0.08 -0.41 0.14 -0.51 -2.34 0.00 0.00 174.74 171.54 1qrk s LEU 52 N 0.71 3.54 -0.97 8.88 1.43 -1.26 0.20 118.68 131.20 1qrk s LEU 52 Ca -0.07 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1qrk s LEU 52 Cb -0.16 -2.07 0.30 0.00 0.03 0.00 0.00 46.19 44.30 1qrk s LEU 52 CO 0.02 -0.09 1.37 0.49 0.23 0.00 0.00 176.35 178.36 1qrk n PHE 53 N -1.11 2.61 0.00 0.29 3.72 -1.26 -4.86 117.46 116.85 1qrk n PHE 53 Ca -0.06 -2.91 0.00 0.00 -0.05 0.00 0.00 57.45 54.43 1qrk n PHE 53 Cb 0.59 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 1qrk n PHE 53 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1qrk n LYS 54 N 1.02 0.00 0.00 -1.08 5.02 -1.26 -4.25 118.16 117.61 1qrk n LYS 54 Ca 0.29 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1qrk n LYS 54 Cb 0.34 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1qrk n LYS 54 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1qrk n GLU 55 N -1.15 0.00 0.02 1.97 -0.58 -1.26 -4.16 120.64 115.48 1qrk n GLU 55 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1qrk n GLU 55 Cb 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 30.92 1qrk n GLU 55 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1qrk n ARG 56 N 0.00 0.01 -0.07 3.49 1.74 -1.26 0.12 116.66 120.69 1qrk n ARG 56 Ca 0.00 0.30 -0.04 0.00 -0.77 0.00 0.00 57.85 57.34 1qrk n ARG 56 Cb 0.00 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 29.48 1qrk n ARG 56 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1qrk n TRP 57 N -1.37 0.02 -0.66 -1.55 4.27 -1.26 -4.50 117.44 112.39 1qrk n TRP 57 Ca -0.00 0.01 -0.30 0.00 -3.89 0.00 0.00 57.50 53.32 1qrk n TRP 57 Cb 0.27 -0.86 0.20 0.00 -1.36 0.00 0.00 31.31 29.55 1qrk n TRP 57 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1qrk s ASP 58 N -5.23 2.14 0.03 -0.67 -1.08 0.32 -4.74 116.67 107.44 1qrk s ASP 58 Ca -0.09 1.89 -0.08 0.00 -0.52 0.00 0.00 52.55 53.75 1qrk s ASP 58 Cb 0.08 -2.45 -0.03 0.00 -1.46 0.00 0.00 42.92 39.06 1qrk s ASP 58 CO 0.85 -3.54 1.13 0.74 0.52 0.00 0.00 175.17 174.88 1qrk h THR 59 N -2.17 0.00 -0.19 1.71 2.02 -1.83 -2.57 112.91 109.87 1qrk h THR 59 Ca -0.51 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.69 1qrk h THR 59 Cb 1.29 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1qrk h THR 59 CO 0.46 0.00 -0.11 0.59 0.37 0.00 0.00 175.52 176.82 1qrk n ASN 60 N -3.30 -0.20 -0.08 4.18 3.02 -1.26 0.15 115.26 117.77 1qrk n ASN 60 Ca -0.01 0.85 -0.10 0.00 -0.03 0.00 0.00 54.58 55.30 1qrk n ASN 60 Cb 0.09 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 1qrk n ASN 60 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1qrk h LYS 61 N 0.00 0.37 -0.63 3.52 1.57 -1.72 0.32 116.57 120.01 1qrk h LYS 61 Ca 0.03 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1qrk h LYS 61 Cb 0.08 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1qrk h LYS 61 CO -0.18 0.31 0.42 0.28 -0.57 0.00 0.00 179.45 179.71 1qrk h VAL 62 N 0.33 1.10 0.06 0.50 2.07 -0.84 -0.32 116.25 119.16 1qrk h VAL 62 Ca 0.10 -0.26 -0.25 0.00 0.82 0.00 0.00 66.70 67.11 1qrk h VAL 62 Cb 0.04 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1qrk h VAL 62 CO -0.02 0.14 -1.16 0.44 0.02 0.00 0.00 177.57 176.99 1qrk h ASP 63 N 0.77 0.21 0.46 0.57 5.19 0.20 -3.15 116.42 120.67 1qrk h ASP 63 Ca 0.25 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1qrk h ASP 63 Cb 0.04 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1qrk h ASP 63 CO -0.06 1.18 -0.13 1.41 -3.12 0.00 0.00 179.24 178.51 1qrk n HIS 64 N -3.42 0.00 -3.26 4.55 8.25 0.11 -4.91 115.22 116.53 1qrk n HIS 64 Ca -0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.24 1qrk n HIS 64 Cb 0.99 -0.23 0.06 0.00 1.12 0.00 0.00 29.99 31.92 1qrk n HIS 64 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1qrk n HIS 65 N -1.09 -2.04 -1.34 4.41 8.25 -0.22 -4.67 115.22 118.53 1qrk n HIS 65 Ca 0.13 0.73 0.08 0.00 -0.26 0.00 0.00 57.72 58.40 1qrk n HIS 65 Cb 0.29 -3.99 0.13 0.00 1.12 0.00 0.00 29.99 27.54 1qrk n HIS 65 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1qrk n THR 66 N -4.19 1.65 0.47 1.59 -2.24 -0.68 -4.75 114.28 106.14 1qrk n THR 66 Ca -0.02 -2.14 0.13 0.00 -2.27 0.00 0.00 64.05 59.74 1qrk n THR 66 Cb 0.56 -0.10 0.36 0.00 -2.10 0.00 0.00 70.33 69.04 1qrk n THR 66 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1qrk h ASP 67 N 0.24 0.00 1.30 3.42 2.03 -1.88 -3.09 116.42 118.43 1qrk h ASP 67 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1qrk h ASP 67 Cb 1.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1qrk h ASP 67 CO 0.00 0.00 -0.23 0.11 -1.03 0.00 0.00 179.24 178.10 1qrk h LYS 68 N 0.00 0.00 -6.41 4.15 1.57 -1.93 -3.46 116.57 110.49 1qrk h LYS 68 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1qrk h LYS 68 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1qrk h LYS 68 CO 0.00 0.00 0.82 0.71 -0.57 0.00 0.00 179.45 180.41 1qrk s TYR 69 N -3.13 2.90 -1.07 -1.35 1.51 -1.17 -4.82 117.35 110.22 1qrk s TYR 69 Ca 0.09 0.82 -0.19 0.00 -1.01 0.00 0.00 57.07 56.78 1qrk s TYR 69 Cb 0.12 -3.68 -0.07 0.00 -0.11 0.00 0.00 41.96 38.22 1qrk s TYR 69 CO 0.65 -2.49 2.03 0.39 -1.11 0.00 0.00 175.55 175.02 1qrk n GLU 70 N 5.12 2.08 -3.95 -0.62 -0.58 -0.76 -4.84 120.64 117.09 1qrk n GLU 70 Ca 0.13 -2.22 -0.12 0.00 -0.42 0.00 0.00 57.16 54.53 1qrk n GLU 70 Cb 0.43 -3.12 -0.13 0.00 -0.57 0.00 0.00 31.44 28.04 1qrk n GLU 70 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1qrk s ASN 71 N 4.37 0.20 -0.57 1.62 3.84 -1.26 -4.46 114.94 118.68 1qrk s ASN 71 Ca 0.54 -0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.48 1qrk s ASN 71 Cb 0.13 0.01 0.49 0.00 -0.55 0.00 0.00 41.25 41.33 1qrk s ASN 71 CO 0.04 -0.05 1.90 0.59 -2.79 0.00 0.00 177.10 176.79 1qrk n ASN 72 N 2.72 6.53 -4.19 -4.21 4.13 -1.26 -4.93 115.26 114.05 1qrk n ASN 72 Ca -0.15 -3.76 -0.11 0.00 1.68 0.00 0.00 54.58 52.24 1qrk n ASN 72 Cb 0.59 -0.87 -0.10 0.00 -1.54 0.00 0.00 39.78 37.85 1qrk n ASN 72 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1qrk s LYS 73 N -3.69 1.02 0.08 3.52 -0.14 -1.26 -5.04 119.74 114.22 1qrk s LYS 73 Ca 0.61 -1.50 -0.31 0.00 -1.36 0.00 0.00 55.97 53.42 1qrk s LYS 73 Cb 0.49 0.08 -0.06 0.00 -1.68 0.00 0.00 37.83 36.65 1qrk s LYS 73 CO 0.02 -0.23 1.21 -1.17 -0.76 0.00 0.00 175.35 174.41 1qrk s LEU 74 N -3.10 4.38 -0.18 3.17 2.96 -1.25 -4.98 118.68 119.68 1qrk s LEU 74 Ca 0.26 2.07 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 1qrk s LEU 74 Cb 0.07 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.22 1qrk s LEU 74 CO 0.04 -0.47 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.87 1qrk s ILE 75 N 0.91 1.46 0.43 6.68 1.01 -1.26 -1.68 121.20 128.75 1qrk s ILE 75 Ca 0.58 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 60.47 1qrk s ILE 75 Cb -0.30 -1.54 -0.06 0.00 0.01 0.00 0.00 42.46 40.57 1qrk s ILE 75 CO 0.30 0.20 0.03 0.68 0.00 0.00 0.00 174.94 176.16 1qrk s VAL 76 N 1.49 1.85 -0.10 2.92 -7.23 -0.32 -4.73 120.40 114.27 1qrk s VAL 76 Ca 0.00 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.23 1qrk s VAL 76 Cb -0.15 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 1qrk s VAL 76 CO -0.08 0.00 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.39 1qrk s ARG 77 N -3.77 3.07 0.80 4.82 0.52 -1.26 -1.63 118.95 121.50 1qrk s ARG 77 Ca 0.29 -0.78 -0.14 0.00 -0.52 0.00 0.00 55.73 54.59 1qrk s ARG 77 Cb 0.07 -2.44 0.03 0.00 0.52 0.00 0.00 34.95 33.14 1qrk s ARG 77 CO 0.15 0.27 0.84 2.89 0.02 0.00 0.00 175.30 179.47 1qrk n ARG 78 N 3.31 0.16 -0.99 3.54 1.85 -0.75 -3.40 116.66 120.38 1qrk n ARG 78 Ca -0.18 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1qrk n ARG 78 Cb 0.53 -2.13 0.00 0.00 -1.05 0.00 0.00 32.46 29.80 1qrk n ARG 78 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qrk n GLY 79 N 1.10 0.54 3.26 2.89 0.00 -0.98 -4.67 105.19 107.32 1qrk n GLY 79 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1qrk n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qrk s GLN 80 N -0.14 1.07 0.33 1.61 -0.21 -1.22 -4.80 119.66 116.32 1qrk s GLN 80 Ca 0.00 -1.28 -0.13 0.00 0.02 0.00 0.00 55.36 53.96 1qrk s GLN 80 Cb 0.00 -0.96 -0.08 0.00 1.00 0.00 0.00 33.01 32.97 1qrk s GLN 80 CO 0.00 0.18 0.73 -1.54 -2.12 0.00 0.00 175.29 172.54 1qrk s SER 81 N -2.55 6.70 0.07 5.90 1.04 -1.26 -3.89 113.70 119.72 1qrk s SER 81 Ca 0.11 1.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.65 1qrk s SER 81 Cb -0.04 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1qrk s SER 81 CO 0.04 -0.24 0.22 0.72 0.98 0.00 0.00 173.24 174.95 1qrk s PHE 82 N -2.06 0.07 0.09 5.02 -0.71 -0.77 -4.97 117.98 114.63 1qrk s PHE 82 Ca 0.53 -0.39 0.01 0.00 -1.04 0.00 0.00 56.93 56.03 1qrk s PHE 82 Cb -0.10 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 1qrk s PHE 82 CO 0.21 -0.51 0.23 0.71 -1.34 0.00 0.00 175.22 174.51 1qrk s TYR 83 N -3.31 3.50 0.09 3.49 1.51 -1.26 -1.57 117.35 119.81 1qrk s TYR 83 Ca 0.01 0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 56.19 1qrk s TYR 83 Cb 0.02 -1.73 -0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1qrk s TYR 83 CO -0.08 0.57 0.18 0.14 -1.11 0.00 0.00 175.55 175.25 1qrk s VAL 84 N -1.58 0.14 -0.03 0.71 -7.23 -0.14 -3.98 120.40 108.29 1qrk s VAL 84 Ca 0.35 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 1qrk s VAL 84 Cb -0.12 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.47 1qrk s VAL 84 CO 0.28 -0.65 -0.02 -1.58 -0.31 0.00 0.00 175.10 172.82 1qrk s GLN 85 N -3.87 0.46 -0.13 4.82 0.74 0.53 -0.09 119.66 122.12 1qrk s GLN 85 Ca 0.06 -0.02 0.01 0.00 0.05 0.00 0.00 55.36 55.45 1qrk s GLN 85 Cb 0.05 -0.55 -0.01 0.00 1.10 0.00 0.00 33.01 33.60 1qrk s GLN 85 CO -0.10 -0.07 -0.17 0.42 -0.55 0.00 0.00 175.29 174.82 1qrk s ILE 86 N 0.75 2.69 -0.24 -2.34 1.01 -0.56 0.13 121.20 122.65 1qrk s ILE 86 Ca -0.08 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 1qrk s ILE 86 Cb -0.12 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1qrk s ILE 86 CO -0.01 0.53 0.05 -1.81 0.00 0.00 0.00 174.94 173.70 1qrk s ASP 87 N 0.44 4.99 0.48 3.58 1.11 0.16 -0.94 116.67 126.49 1qrk s ASP 87 Ca -0.12 -0.24 0.01 0.00 0.18 0.00 0.00 52.55 52.38 1qrk s ASP 87 Cb -0.16 -1.89 0.01 0.00 1.07 0.00 0.00 42.92 41.95 1qrk s ASP 87 CO 0.05 -0.03 0.70 -0.36 1.18 0.00 0.00 175.17 176.72 1qrk s PHE 88 N 1.58 3.07 0.26 4.23 0.08 -0.14 -0.37 117.98 126.69 1qrk s PHE 88 Ca 0.06 0.11 0.18 0.00 0.12 0.00 0.00 56.93 57.41 1qrk s PHE 88 Cb -0.15 -2.47 0.81 0.00 -0.57 0.00 0.00 43.02 40.64 1qrk s PHE 88 CO 0.02 -0.55 1.81 0.66 -0.10 0.00 0.00 175.22 177.06 1qrk h SER 89 N 0.29 0.00 -5.38 1.36 4.64 -0.68 -3.43 113.55 110.35 1qrk h SER 89 Ca -0.44 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.72 1qrk h SER 89 Cb 1.27 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.22 1qrk h SER 89 CO 0.55 0.34 -0.48 0.00 -0.87 0.00 0.00 176.83 176.37 1qrk s ARG 90 N -3.84 1.11 0.27 4.77 1.70 -1.26 -5.05 118.95 116.64 1qrk s ARG 90 Ca -0.01 -1.36 -0.30 0.00 -0.47 0.00 0.00 55.73 53.58 1qrk s ARG 90 Cb 0.12 0.31 -0.13 0.00 -0.57 0.00 0.00 34.95 34.69 1qrk s ARG 90 CO 0.68 -0.37 1.44 -2.30 -1.08 0.00 0.00 175.30 173.66 1qrk n PRO 91 N -0.19 2.22 -2.37 3.89 -0.02 -1.26 -4.72 135.00 132.54 1qrk n PRO 91 Ca -0.04 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 1qrk n PRO 91 Cb 0.64 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1qrk n PRO 91 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1qrk s TYR 92 N -0.22 3.43 -0.21 6.00 5.04 -1.26 -4.97 117.35 125.15 1qrk s TYR 92 Ca 0.65 1.48 0.01 0.00 -2.44 0.00 0.00 57.07 56.77 1qrk s TYR 92 Cb -0.60 -3.42 0.05 0.00 0.35 0.00 0.00 41.96 38.34 1qrk s TYR 92 CO 0.51 -1.13 -0.08 0.34 -1.34 0.00 0.00 175.55 173.86 1qrk s ASP 93 N -0.15 3.60 0.19 4.32 2.15 -1.26 -5.01 116.67 120.52 1qrk s ASP 93 Ca 0.51 -1.02 0.08 0.00 0.43 0.00 0.00 52.55 52.55 1qrk s ASP 93 Cb -0.33 -1.19 0.46 0.00 -0.30 0.00 0.00 42.92 41.55 1qrk s ASP 93 CO 0.39 -0.19 1.13 -2.65 -0.17 0.00 0.00 175.17 173.68 1qrk n PRO 94 N 4.69 0.06 -0.00 4.34 -0.02 -1.26 -2.10 135.00 140.70 1qrk n PRO 94 Ca -0.13 0.47 -0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1qrk n PRO 94 Cb 0.45 -1.91 -0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1qrk n PRO 94 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1qrk h ARG 95 N 0.00 -0.00 -0.64 -0.52 1.12 -2.02 -3.41 114.38 108.91 1qrk h ARG 95 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1qrk h ARG 95 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1qrk h ARG 95 CO 0.00 -0.00 0.00 2.89 -3.11 0.00 0.00 179.97 179.75 1qrk n ARG 96 N -2.22 2.85 -4.97 0.20 1.85 -1.23 -4.95 116.66 108.20 1qrk n ARG 96 Ca -0.00 -2.37 -0.31 0.00 -1.00 0.00 0.00 57.85 54.17 1qrk n ARG 96 Cb 0.00 -1.63 -0.14 0.00 -1.05 0.00 0.00 32.46 29.64 1qrk n ARG 96 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1qrk s ASP 97 N -0.93 3.40 -0.14 2.89 1.01 -0.89 -5.04 116.67 116.97 1qrk s ASP 97 Ca 0.43 -0.46 -0.07 0.00 0.71 0.00 0.00 52.55 53.16 1qrk s ASP 97 Cb 0.25 -0.46 0.05 0.00 1.01 0.00 0.00 42.92 43.78 1qrk s ASP 97 CO 0.26 0.29 0.32 -0.22 0.21 0.00 0.00 175.17 176.03 1qrk s LEU 98 N -1.03 0.12 0.24 1.23 2.96 -1.26 -4.74 118.68 116.19 1qrk s LEU 98 Ca 0.12 0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 54.56 1qrk s LEU 98 Cb -0.10 1.00 0.01 0.00 0.50 0.00 0.00 46.19 47.60 1qrk s LEU 98 CO 0.02 -0.18 0.55 0.72 -1.32 0.00 0.00 176.35 176.13 1qrk s PHE 99 N 1.45 0.06 -0.19 5.38 -0.71 -1.26 -2.61 117.98 120.10 1qrk s PHE 99 Ca -0.08 -0.44 -0.28 0.00 -1.04 0.00 0.00 56.93 55.09 1qrk s PHE 99 Cb -0.10 0.39 0.10 0.00 -1.21 0.00 0.00 43.02 42.20 1qrk s PHE 99 CO -0.10 -1.02 0.85 -0.98 -1.34 0.00 0.00 175.22 172.62 1qrk s ARG 100 N -3.94 0.76 0.28 1.99 1.70 -0.47 -4.51 118.95 114.76 1qrk s ARG 100 Ca 0.15 0.50 -0.26 0.00 -0.47 0.00 0.00 55.73 55.64 1qrk s ARG 100 Cb -0.02 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.63 1qrk s ARG 100 CO 0.04 -0.17 0.91 0.08 -1.08 0.00 0.00 175.30 175.08 1qrk s VAL 101 N -0.44 4.22 -0.04 4.99 1.01 -1.09 -0.59 120.40 128.46 1qrk s VAL 101 Ca -0.03 1.83 0.06 0.00 0.00 0.00 0.00 61.98 63.84 1qrk s VAL 101 Cb -0.03 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1qrk s VAL 101 CO 0.02 0.27 -0.22 -1.61 0.00 0.00 0.00 175.10 173.56 1qrk s GLU 102 N -1.74 2.13 -0.11 2.72 2.02 -0.11 -0.40 118.70 123.21 1qrk s GLU 102 Ca 0.46 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.67 1qrk s GLU 102 Cb -0.21 -1.89 -0.00 0.00 0.10 0.00 0.00 34.13 32.13 1qrk s GLU 102 CO 0.26 0.39 -0.21 0.71 0.02 0.00 0.00 175.26 176.42 1qrk s TYR 103 N -0.25 2.62 -0.00 1.61 2.02 -0.42 -1.22 117.35 121.72 1qrk s TYR 103 Ca 0.01 -0.97 0.01 0.00 -0.37 0.00 0.00 57.07 55.76 1qrk s TYR 103 Cb -0.11 -1.75 -0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1qrk s TYR 103 CO 0.02 -0.38 -0.05 0.14 -1.57 0.00 0.00 175.55 173.71 1qrk s VAL 104 N 0.36 0.36 -0.00 0.71 -7.23 -1.06 -0.36 120.40 113.18 1qrk s VAL 104 Ca -0.17 -0.19 0.04 0.00 -1.81 0.00 0.00 61.98 59.85 1qrk s VAL 104 Cb -0.17 -0.31 -0.01 0.00 0.56 0.00 0.00 36.38 36.45 1qrk s VAL 104 CO 0.08 0.10 -0.11 -0.51 -0.31 0.00 0.00 175.10 174.35 1qrk s ILE 105 N -0.10 0.89 0.00 -0.62 2.07 -0.67 -2.13 121.20 120.64 1qrk s ILE 105 Ca 0.02 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 58.70 1qrk s ILE 105 Cb -0.02 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.81 1qrk s ILE 105 CO -0.00 0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.83 1qrk n GLY 106 N 2.65 -1.78 0.05 1.50 0.00 -1.25 -4.31 105.19 102.04 1qrk n GLY 106 Ca -0.15 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.64 1qrk n GLY 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qrk n ARG 107 N -0.18 0.64 -3.28 1.61 0.63 -1.17 -4.10 116.66 110.81 1qrk n ARG 107 Ca 0.00 -0.08 -0.26 0.00 -0.92 0.00 0.00 57.85 56.58 1qrk n ARG 107 Cb 0.00 -1.63 -0.07 0.00 0.45 0.00 0.00 32.46 31.21 1qrk n ARG 107 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1qrk n TYR 108 N -2.40 3.07 -1.59 -0.14 4.01 -1.26 -4.51 117.16 114.34 1qrk n TYR 108 Ca -0.03 -4.04 -0.39 0.00 -0.16 0.00 0.00 57.90 53.29 1qrk n TYR 108 Cb 0.56 -0.51 0.04 0.00 -0.31 0.00 0.00 39.34 39.12 1qrk n TYR 108 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1qrk n PRO 109 N 0.67 0.98 -3.48 -0.72 -0.02 -1.26 -4.88 135.00 126.28 1qrk n PRO 109 Ca 0.29 0.37 -0.06 0.00 -2.02 0.00 0.00 63.50 62.08 1qrk n PRO 109 Cb 0.43 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 1qrk n PRO 109 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1qrk s GLN 110 N -2.45 0.40 0.58 -0.52 0.74 -1.26 -4.87 119.66 112.27 1qrk s GLN 110 Ca 0.71 0.92 0.30 0.00 0.05 0.00 0.00 55.36 57.33 1qrk s GLN 110 Cb -0.46 0.16 1.45 0.00 1.10 0.00 0.00 33.01 35.26 1qrk s GLN 110 CO 0.51 -0.43 1.86 1.49 -0.55 0.00 0.00 175.29 178.17 1qrk h GLU 111 N 8.13 0.00 -0.38 1.67 4.81 -1.90 0.27 114.58 127.18 1qrk h GLU 111 Ca -0.18 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1qrk h GLU 111 Cb 1.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1qrk h GLU 111 CO 0.19 0.00 -0.07 -0.97 -0.73 0.00 0.00 179.01 177.42 1qrk h ASN 112 N 0.00 0.62 -0.02 1.04 -0.00 -1.94 -3.14 115.58 112.15 1qrk h ASN 112 Ca 0.29 -0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 1qrk h ASN 112 Cb 1.44 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 39.59 1qrk h ASN 112 CO -0.00 0.74 -0.48 0.29 -0.00 0.00 0.00 177.43 177.99 1qrk n LYS 113 N -4.20 1.23 -0.68 6.67 4.76 0.91 -4.97 118.16 121.88 1qrk n LYS 113 Ca 0.01 -1.00 0.00 0.00 -2.87 0.00 0.00 58.31 54.46 1qrk n LYS 113 Cb 0.32 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 1qrk n LYS 113 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qrk n GLY 114 N 1.41 0.67 1.32 0.72 0.00 -0.88 -4.62 105.19 103.80 1qrk n GLY 114 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1qrk n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qrk n THR 115 N -2.65 0.95 -3.44 2.61 -2.24 -1.11 -4.68 114.28 103.72 1qrk n THR 115 Ca 0.00 -0.95 -0.16 0.00 -2.27 0.00 0.00 64.05 60.67 1qrk n THR 115 Cb 0.00 0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 1qrk n THR 115 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1qrk s TYR 116 N -1.05 -0.44 -0.29 4.78 5.04 -1.25 -1.66 117.35 122.48 1qrk s TYR 116 Ca 0.48 0.24 0.01 0.00 -2.44 0.00 0.00 57.07 55.36 1qrk s TYR 116 Cb 0.25 -0.31 0.06 0.00 0.35 0.00 0.00 41.96 42.31 1qrk s TYR 116 CO 0.33 -0.72 -0.04 0.42 -1.34 0.00 0.00 175.55 174.20 1qrk s ILE 117 N 2.38 2.52 -0.12 3.14 1.01 0.51 -4.02 121.20 126.61 1qrk s ILE 117 Ca 0.09 -1.64 -0.25 0.00 0.00 0.00 0.00 60.65 58.84 1qrk s ILE 117 Cb -0.15 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1qrk s ILE 117 CO -0.19 -0.15 0.81 -2.84 0.00 0.00 0.00 174.94 172.58 1qrk s PRO 118 N 1.13 4.36 -0.43 2.79 0.02 -1.26 -1.30 135.00 140.32 1qrk s PRO 118 Ca -0.05 1.02 -0.11 0.00 0.02 0.00 0.00 61.00 61.89 1qrk s PRO 118 Cb -0.20 -3.53 0.08 0.00 0.02 0.00 0.00 34.50 30.87 1qrk s PRO 118 CO -0.04 -0.19 0.29 0.08 -0.33 0.00 0.00 177.00 176.81 1qrk s VAL 119 N 1.65 4.47 0.46 3.83 1.01 0.47 -4.91 120.40 127.37 1qrk s VAL 119 Ca 0.40 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1qrk s VAL 119 Cb -0.17 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1qrk s VAL 119 CO 0.16 -0.52 0.94 -2.16 0.00 0.00 0.00 175.10 173.52 1qrk s PRO 120 N 1.48 4.09 0.11 2.72 0.04 -1.26 -2.68 135.00 139.49 1qrk s PRO 120 Ca 0.03 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 1qrk s PRO 120 Cb -0.23 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1qrk s PRO 120 CO 0.03 -0.11 1.02 0.42 0.04 0.00 0.00 177.00 178.40 1qrk s ILE 121 N -2.35 4.34 0.18 0.56 -1.09 -1.26 -1.98 121.20 119.60 1qrk s ILE 121 Ca 0.60 1.90 0.07 0.00 -2.23 0.00 0.00 60.65 60.99 1qrk s ILE 121 Cb -0.09 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 1qrk s ILE 121 CO 0.21 0.27 -0.14 0.68 -1.23 0.00 0.00 174.94 174.73 1qrk s VAL 122 N 0.15 1.61 -0.08 2.92 -7.23 -0.18 -4.89 120.40 112.70 1qrk s VAL 122 Ca 0.49 -2.06 0.25 0.00 -1.81 0.00 0.00 61.98 58.85 1qrk s VAL 122 Cb -0.25 -1.90 0.27 0.00 0.56 0.00 0.00 36.38 35.06 1qrk s VAL 122 CO 0.31 -0.54 1.74 0.28 -0.31 0.00 0.00 175.10 176.58 1qrk h SER 123 N 2.86 0.00 -4.58 4.85 0.02 -1.96 -3.38 113.55 111.36 1qrk h SER 123 Ca -0.39 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.63 1qrk h SER 123 Cb 1.21 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.57 1qrk h SER 123 CO 0.58 0.15 0.44 -0.70 -1.14 0.00 0.00 176.83 176.17 1qrk s GLU 124 N -3.42 0.83 -0.23 3.45 2.56 -1.26 -5.00 118.70 115.64 1qrk s GLU 124 Ca 0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 54.97 54.75 1qrk s GLU 124 Cb 0.08 0.39 -0.05 0.00 2.00 0.00 0.00 34.13 36.55 1qrk s GLU 124 CO 0.64 -0.33 0.26 -0.51 -0.56 0.00 0.00 175.26 174.77 1qrk s LEU 125 N -1.96 4.13 0.63 2.70 1.43 -1.26 -4.96 118.68 119.39 1qrk s LEU 125 Ca 0.01 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.32 1qrk s LEU 125 Cb -0.01 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.95 1qrk s LEU 125 CO -0.04 -0.00 0.95 -1.10 0.23 0.00 0.00 176.35 176.39 1qrk s GLN 126 N 1.20 2.79 0.09 1.70 1.11 -1.26 -5.05 119.66 120.24 1qrk s GLN 126 Ca 0.12 0.03 -0.20 0.00 0.01 0.00 0.00 55.36 55.32 1qrk s GLN 126 Cb -0.14 -2.22 -0.07 0.00 -1.01 0.00 0.00 33.01 29.57 1qrk s GLN 126 CO 0.06 -0.84 0.61 -1.12 0.01 0.00 0.00 175.29 174.00 1qrk s SER 127 N -4.35 7.11 0.00 5.90 0.01 -1.26 -4.09 113.70 117.02 1qrk s SER 127 Ca 0.56 1.32 0.00 0.00 1.31 0.00 0.00 55.95 59.14 1qrk s SER 127 Cb -0.11 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1qrk s SER 127 CO 0.46 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.97 1qrk n GLY 128 N 1.63 0.88 3.39 3.44 0.00 -1.26 -5.03 105.19 108.24 1qrk n GLY 128 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1qrk n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qrk s LYS 129 N -0.19 1.44 0.72 1.61 -0.14 -1.26 -4.46 119.74 117.46 1qrk s LYS 129 Ca 0.00 -1.53 -0.11 0.00 -1.36 0.00 0.00 55.97 52.96 1qrk s LYS 129 Cb 0.00 -1.58 0.02 0.00 -1.68 0.00 0.00 37.83 34.60 1qrk s LYS 129 CO 0.00 0.32 1.09 -1.58 -0.76 0.00 0.00 175.35 174.42 1qrk s TRP 130 N -2.08 3.22 0.00 3.18 0.52 -1.26 -4.16 118.94 118.37 1qrk s TRP 130 Ca 0.21 1.09 0.00 0.00 0.02 0.00 0.00 56.10 57.41 1qrk s TRP 130 Cb -0.06 -3.06 0.00 0.00 -1.15 0.00 0.00 33.47 29.20 1qrk s TRP 130 CO 0.09 -1.29 0.00 0.41 0.02 0.00 0.00 176.95 176.18 1qrk n GLY 131 N -2.78 2.89 2.78 0.98 0.00 -0.93 -4.84 105.19 103.29 1qrk n GLY 131 Ca 0.07 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 1qrk n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qrk s ALA 132 N -2.00 0.68 -0.07 4.61 0.00 -0.84 -0.81 121.76 123.34 1qrk s ALA 132 Ca 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 1qrk s ALA 132 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1qrk s ALA 132 CO 0.00 -0.42 0.45 0.21 0.00 0.00 0.00 175.76 176.00 1qrk s LYS 133 N 1.89 4.19 -1.00 0.00 2.20 -0.22 -1.01 119.74 125.79 1qrk s LYS 133 Ca 0.04 0.43 -0.23 0.00 -0.36 0.00 0.00 55.97 55.85 1qrk s LYS 133 Cb -0.12 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1qrk s LYS 133 CO -0.05 0.37 1.70 0.42 -0.36 0.00 0.00 175.35 177.43 1qrk s ILE 134 N -0.07 3.72 0.42 5.43 -1.09 -1.26 -1.69 121.20 126.66 1qrk s ILE 134 Ca 0.25 -0.68 0.38 0.00 -2.23 0.00 0.00 60.65 58.36 1qrk s ILE 134 Cb -0.16 -4.61 0.40 0.00 -1.58 0.00 0.00 42.46 36.51 1qrk s ILE 134 CO 0.11 -1.49 2.18 1.62 -1.23 0.00 0.00 174.94 176.14 1qrk h VAL 135 N 6.87 0.10 0.00 2.92 3.04 -1.58 -3.46 116.25 124.15 1qrk h VAL 135 Ca 0.18 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1qrk h VAL 135 Cb 0.99 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1qrk h VAL 135 CO 1.33 0.02 0.00 0.80 -1.01 0.00 0.00 177.57 178.71 1qrk n MET 136 N -3.19 0.00 -4.72 4.17 0.00 -1.14 -4.97 117.12 107.27 1qrk n MET 136 Ca -0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.70 57.45 1qrk n MET 136 Cb 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.25 1qrk n MET 136 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1qrk s ARG 137 N -0.68 1.38 -0.10 2.12 1.70 -1.26 0.89 118.95 123.01 1qrk s ARG 137 Ca 0.00 -0.54 -0.05 0.00 -0.47 0.00 0.00 55.73 54.67 1qrk s ARG 137 Cb 0.00 -1.28 0.04 0.00 -0.57 0.00 0.00 34.95 33.14 1qrk s ARG 137 CO 0.00 0.28 0.24 -1.21 -1.08 0.00 0.00 175.30 173.53 1qrk s GLU 138 N -0.17 0.20 0.00 3.89 2.02 -1.08 -5.03 118.70 118.53 1qrk s GLU 138 Ca 0.02 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.52 1qrk s GLU 138 Cb -0.08 -0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.04 1qrk s GLU 138 CO 0.00 -0.16 0.00 -0.40 0.02 0.00 0.00 175.26 174.73 1qrk n ASP 139 N 4.16 0.00 -0.26 -0.19 5.75 -1.26 -1.56 116.55 123.20 1qrk n ASP 139 Ca -0.25 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.50 1qrk n ASP 139 Cb 0.53 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.61 1qrk n ASP 139 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1qrk n ARG 140 N 0.01 -0.28 -4.06 0.11 1.85 -1.26 -4.94 116.66 108.09 1qrk n ARG 140 Ca 0.00 0.57 -0.11 0.00 -1.00 0.00 0.00 57.85 57.31 1qrk n ARG 140 Cb 0.00 -4.18 -0.11 0.00 -1.05 0.00 0.00 32.46 27.12 1qrk n ARG 140 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1qrk s SER 141 N -2.84 0.66 -0.03 2.89 0.01 -0.60 -0.97 113.70 112.82 1qrk s SER 141 Ca 0.00 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 56.62 1qrk s SER 141 Cb 0.00 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.32 1qrk s SER 141 CO 0.00 -0.33 -0.07 -0.69 0.41 0.00 0.00 173.24 172.57 1qrk s VAL 142 N -2.07 0.62 -0.15 3.43 1.01 -0.12 -2.65 120.40 120.47 1qrk s VAL 142 Ca -0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1qrk s VAL 142 Cb -0.05 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1qrk s VAL 142 CO -0.02 0.21 0.13 -0.60 0.00 0.00 0.00 175.10 174.83 1qrk s ARG 143 N 0.38 3.75 0.08 2.72 3.52 0.26 -1.49 118.95 128.16 1qrk s ARG 143 Ca -0.05 -0.17 0.08 0.00 -0.13 0.00 0.00 55.73 55.46 1qrk s ARG 143 Cb -0.09 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1qrk s ARG 143 CO 0.00 0.58 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.35 1qrk s LEU 144 N -0.45 2.25 -0.32 -0.88 1.43 0.87 -1.44 118.68 120.14 1qrk s LEU 144 Ca 0.12 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1qrk s LEU 144 Cb -0.12 -0.96 0.08 0.00 0.03 0.00 0.00 46.19 45.23 1qrk s LEU 144 CO 0.02 0.11 0.02 -0.55 0.23 0.00 0.00 176.35 176.18 1qrk s SER 145 N -1.65 4.76 -0.21 2.29 0.15 -0.68 -0.97 113.70 117.39 1qrk s SER 145 Ca 0.08 -1.81 -0.12 0.00 0.70 0.00 0.00 55.95 54.80 1qrk s SER 145 Cb -0.10 -1.64 -0.05 0.00 -1.71 0.00 0.00 66.02 62.52 1qrk s SER 145 CO 0.03 -0.33 0.21 -0.63 1.20 0.00 0.00 173.24 173.72 1qrk s ILE 146 N 1.03 5.34 0.19 6.45 1.01 -0.61 -1.05 121.20 133.56 1qrk s ILE 146 Ca 0.03 0.31 0.09 0.00 0.00 0.00 0.00 60.65 61.08 1qrk s ILE 146 Cb -0.20 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1qrk s ILE 146 CO -0.06 0.36 -0.08 -1.58 0.00 0.00 0.00 174.94 173.58 1qrk s GLN 147 N 0.86 2.09 0.17 2.79 0.74 0.01 -1.85 119.66 124.47 1qrk s GLN 147 Ca 0.11 -1.27 0.09 0.00 0.05 0.00 0.00 55.36 54.34 1qrk s GLN 147 Cb -0.13 -2.17 -0.04 0.00 1.10 0.00 0.00 33.01 31.77 1qrk s GLN 147 CO 0.03 0.43 -0.20 -1.54 -0.55 0.00 0.00 175.29 173.46 1qrk s SER 148 N -2.89 2.92 0.34 6.67 1.04 -1.25 -2.18 113.70 118.34 1qrk s SER 148 Ca 0.25 -0.85 -0.29 0.00 0.48 0.00 0.00 55.95 55.55 1qrk s SER 148 Cb -0.09 -0.19 -0.11 0.00 0.10 0.00 0.00 66.02 65.74 1qrk s SER 148 CO 0.16 0.02 1.44 -0.55 0.98 0.00 0.00 173.24 175.29 1qrk s SER 149 N -2.62 6.50 0.00 7.02 0.15 -1.26 -2.33 113.70 121.16 1qrk s SER 149 Ca 0.17 2.90 0.13 0.00 0.70 0.00 0.00 55.95 59.84 1qrk s SER 149 Cb -0.07 -2.65 0.75 0.00 -1.71 0.00 0.00 66.02 62.34 1qrk s SER 149 CO 0.08 -0.76 1.19 -0.81 1.20 0.00 0.00 173.24 174.13 1qrk n PRO 150 N 0.97 0.51 -0.18 5.44 -0.04 -1.26 -1.77 135.00 138.67 1qrk n PRO 150 Ca 0.02 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1qrk n PRO 150 Cb 0.40 -1.38 0.16 0.00 -0.04 0.00 0.00 33.50 32.64 1qrk n PRO 150 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1qrk n LYS 151 N -0.88 1.98 -1.92 0.54 4.76 -1.26 -4.54 118.16 116.84 1qrk n LYS 151 Ca 0.09 -2.54 -0.40 0.00 -2.87 0.00 0.00 58.31 52.60 1qrk n LYS 151 Cb 0.04 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1qrk n LYS 151 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qrk n ILE 153 N 0.14 0.65 -2.99 0.00 5.41 -1.26 -4.47 119.36 116.84 1qrk n ILE 153 Ca 0.03 -0.16 -0.39 0.00 1.00 0.00 0.00 62.75 63.23 1qrk n ILE 153 Cb 0.42 -1.79 -0.06 0.00 -0.71 0.00 0.00 39.64 37.50 1qrk n ILE 153 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1qrk s VAL 154 N 0.35 4.39 -5.00 1.39 1.01 -1.25 -4.85 120.40 116.45 1qrk s VAL 154 Ca 0.69 1.64 0.00 0.00 0.00 0.00 0.00 61.98 64.31 1qrk s VAL 154 Cb -0.56 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1qrk s VAL 154 CO 0.44 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.60 1qrk n GLY 155 N 1.39 -0.45 2.88 4.51 0.00 -1.06 -4.72 105.19 107.73 1qrk n GLY 155 Ca -0.05 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1qrk n GLY 155 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qrk s LYS 156 N -2.00 1.19 0.60 1.61 2.20 -1.26 -1.01 119.74 121.07 1qrk s LYS 156 Ca 0.00 -1.61 -0.09 0.00 -0.36 0.00 0.00 55.97 53.91 1qrk s LYS 156 Cb 0.00 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.63 1qrk s LYS 156 CO 0.00 -0.99 0.96 -0.06 -0.36 0.00 0.00 175.35 174.91 1qrk s PHE 157 N 1.07 3.50 0.01 4.03 0.40 0.10 -4.89 117.98 122.20 1qrk s PHE 157 Ca 0.11 1.03 0.01 0.00 -0.60 0.00 0.00 56.93 57.48 1qrk s PHE 157 Cb -0.19 -2.69 -0.04 0.00 0.51 0.00 0.00 43.02 40.61 1qrk s PHE 157 CO -0.14 -0.70 0.04 1.03 0.70 0.00 0.00 175.22 176.15 1qrk s ARG 158 N -5.08 2.89 -0.05 0.44 0.52 -0.91 -1.61 118.95 115.17 1qrk s ARG 158 Ca 0.54 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 55.18 1qrk s ARG 158 Cb -0.11 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 1qrk s ARG 158 CO 0.50 0.62 -0.06 1.41 0.02 0.00 0.00 175.30 177.79 1qrk s MET 159 N -1.75 2.71 0.10 3.54 1.75 -1.26 -2.56 119.30 121.83 1qrk s MET 159 Ca 0.22 -0.59 -0.06 0.00 -1.25 0.00 0.00 55.69 54.01 1qrk s MET 159 Cb -0.12 -2.58 -0.02 0.00 2.84 0.00 0.00 34.83 34.96 1qrk s MET 159 CO 0.13 0.65 0.14 0.71 -0.65 0.00 0.00 175.02 176.00 1qrk s TYR 160 N -0.87 0.41 -0.12 4.11 2.02 -0.36 -4.72 117.35 117.82 1qrk s TYR 160 Ca 0.14 -0.84 0.01 0.00 -0.37 0.00 0.00 57.07 56.01 1qrk s TYR 160 Cb -0.11 -0.20 0.02 0.00 -0.40 0.00 0.00 41.96 41.26 1qrk s TYR 160 CO 0.03 -0.54 -0.14 0.08 -1.57 0.00 0.00 175.55 173.41 1qrk s VAL 161 N -3.93 1.45 -0.14 0.71 1.01 -1.26 -0.93 120.40 117.31 1qrk s VAL 161 Ca 0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1qrk s VAL 161 Cb 0.06 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1qrk s VAL 161 CO -0.06 0.43 -0.03 0.00 0.00 0.00 0.00 175.10 175.44 1qrk s ALA 162 N 1.16 3.04 -0.24 5.51 0.00 0.24 -2.00 121.76 129.47 1qrk s ALA 162 Ca -0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1qrk s ALA 162 Cb -0.14 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.48 1qrk s ALA 162 CO -0.04 0.29 -0.07 0.08 0.00 0.00 0.00 175.76 176.02 1qrk s VAL 163 N 0.10 2.86 -0.99 0.00 1.01 0.15 -1.37 120.40 122.16 1qrk s VAL 163 Ca -0.00 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1qrk s VAL 163 Cb -0.13 -2.41 0.13 0.00 0.00 0.00 0.00 36.38 33.97 1qrk s VAL 163 CO 0.03 0.27 1.21 0.26 0.00 0.00 0.00 175.10 176.86 1qrk s TRP 164 N 1.34 3.17 0.73 5.22 0.52 -1.07 0.34 118.94 129.19 1qrk s TRP 164 Ca 0.02 -1.52 -0.11 0.00 0.02 0.00 0.00 56.10 54.51 1qrk s TRP 164 Cb -0.16 -4.31 0.04 0.00 -1.15 0.00 0.00 33.47 27.89 1qrk s TRP 164 CO -0.05 -1.49 1.10 0.95 0.02 0.00 0.00 176.95 177.48 1qrk s THR 165 N 2.58 2.94 -2.00 2.01 -4.23 -0.96 -4.76 115.64 111.21 1qrk s THR 165 Ca 0.35 0.23 0.14 0.00 -1.18 0.00 0.00 61.69 61.23 1qrk s THR 165 Cb -0.04 -3.29 0.39 0.00 1.34 0.00 0.00 72.50 70.90 1qrk s THR 165 CO -0.07 -0.37 1.25 -0.81 -0.54 0.00 0.00 174.62 174.08 1qrk n PRO 166 N -3.07 0.57 0.00 3.99 -0.04 -1.26 -2.01 135.00 133.18 1qrk n PRO 166 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1qrk n PRO 166 Cb 0.59 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1qrk n PRO 166 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qrk n TYR 167 N -0.87 0.00 0.00 0.54 4.01 -1.26 -5.11 117.16 114.46 1qrk n TYR 167 Ca 0.10 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1qrk n TYR 167 Cb 0.05 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1qrk n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qrk n GLY 168 N -0.19 4.05 3.77 2.72 0.00 -0.85 -4.91 105.19 109.77 1qrk n GLY 168 Ca 0.00 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1qrk n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qrk s VAL 169 N -2.27 3.08 -0.10 1.61 1.01 -1.26 -2.27 120.40 120.20 1qrk s VAL 169 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1qrk s VAL 169 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1qrk s VAL 169 CO 0.00 0.18 -0.11 -0.76 0.00 0.00 0.00 175.10 174.41 1qrk s LEU 170 N -2.03 2.90 0.03 3.92 1.43 0.15 -1.17 118.68 123.91 1qrk s LEU 170 Ca 0.52 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1qrk s LEU 170 Cb -0.34 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1qrk s LEU 170 CO 0.44 0.25 -0.01 -0.60 0.23 0.00 0.00 176.35 176.65 1qrk s ARG 171 N -0.14 0.44 0.94 1.70 3.52 0.29 0.32 118.95 126.02 1qrk s ARG 171 Ca 0.00 -0.82 -0.10 0.00 -0.13 0.00 0.00 55.73 54.68 1qrk s ARG 171 Cb -0.13 0.16 0.16 0.00 -1.56 0.00 0.00 34.95 33.57 1qrk s ARG 171 CO 0.03 -0.08 1.10 0.25 -0.81 0.00 0.00 175.30 175.79 1qrk n THR 172 N 1.04 0.00 -2.47 4.11 -2.24 -0.85 -4.52 114.28 109.35 1qrk n THR 172 Ca -0.20 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.30 1qrk n THR 172 Cb 0.57 -0.98 0.05 0.00 -2.10 0.00 0.00 70.33 67.87 1qrk n THR 172 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qrk s SER 173 N -2.59 5.13 0.05 3.42 1.04 -1.26 -4.75 113.70 114.75 1qrk s SER 173 Ca 0.67 0.22 -0.34 0.00 0.48 0.00 0.00 55.95 56.98 1qrk s SER 173 Cb -0.23 -1.03 -0.13 0.00 0.10 0.00 0.00 66.02 64.73 1qrk s SER 173 CO 0.59 -1.30 1.73 -1.14 0.98 0.00 0.00 173.24 174.10 1qrk n ARG 174 N -2.57 2.23 -3.53 4.02 3.00 -1.26 -4.96 116.66 113.58 1qrk n ARG 174 Ca 0.08 0.81 -0.26 0.00 -0.00 0.00 0.00 57.85 58.47 1qrk n ARG 174 Cb 0.60 -2.62 -0.14 0.00 0.00 0.00 0.00 32.46 30.29 1qrk n ARG 174 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1qrk s ASN 175 N 2.45 2.93 0.22 6.15 2.47 -1.26 -5.03 114.94 122.87 1qrk s ASN 175 Ca 0.85 -1.03 -0.08 0.00 0.42 0.00 0.00 52.86 53.02 1qrk s ASN 175 Cb -0.66 -0.16 0.26 0.00 -1.45 0.00 0.00 41.25 39.23 1qrk s ASN 175 CO 0.44 -0.41 1.84 -0.65 -3.72 0.00 0.00 177.10 174.60 1qrk h PRO 176 N 8.38 0.84 0.00 0.43 0.11 -1.96 -2.94 132.00 136.87 1qrk h PRO 176 Ca -0.18 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1qrk h PRO 176 Cb 1.05 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1qrk h PRO 176 CO 0.39 0.56 0.00 0.39 -0.21 0.00 0.00 178.00 179.13 1qrk n GLU 177 N -4.67 0.32 0.00 1.05 -0.58 -1.26 -1.60 120.64 113.90 1qrk n GLU 177 Ca 0.10 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.86 1qrk n GLU 177 Cb 0.14 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1qrk n GLU 177 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1qrk n THR 178 N -0.87 0.00 -1.68 2.62 -2.24 -1.11 -4.82 114.28 106.18 1qrk n THR 178 Ca 0.06 -0.44 -0.52 0.00 -2.27 0.00 0.00 64.05 60.88 1qrk n THR 178 Cb 0.03 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 1qrk n THR 178 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qrk n ASP 179 N -0.29 3.00 -4.69 3.42 8.00 -0.62 -4.39 116.55 120.97 1qrk n ASP 179 Ca 0.02 0.96 -0.35 0.00 0.71 0.00 0.00 54.79 56.13 1qrk n ASP 179 Cb 0.12 -1.29 -0.09 0.00 -0.02 0.00 0.00 41.12 39.85 1qrk n ASP 179 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qrk s THR 180 N 4.20 4.56 -0.18 -3.53 2.01 -0.63 -3.83 115.64 118.23 1qrk s THR 180 Ca 0.96 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 62.72 1qrk s THR 180 Cb -0.83 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1qrk s THR 180 CO 0.56 0.57 0.14 -0.31 -0.69 0.00 0.00 174.62 174.89 1qrk s TYR 181 N -0.54 3.45 -0.29 4.92 1.51 -0.68 0.03 117.35 125.75 1qrk s TYR 181 Ca 0.10 0.38 0.02 0.00 -1.01 0.00 0.00 57.07 56.56 1qrk s TYR 181 Cb -0.12 -2.13 0.07 0.00 -0.11 0.00 0.00 41.96 39.67 1qrk s TYR 181 CO 0.02 0.37 -0.04 0.42 -1.11 0.00 0.00 175.55 175.21 1qrk s ILE 182 N 0.12 2.42 0.66 2.71 1.01 -0.18 -1.17 121.20 126.76 1qrk s ILE 182 Ca 0.10 -1.74 0.03 0.00 0.00 0.00 0.00 60.65 59.03 1qrk s ILE 182 Cb -0.11 -2.50 0.10 0.00 0.01 0.00 0.00 42.46 39.96 1qrk s ILE 182 CO -0.01 -0.19 0.90 -0.76 0.00 0.00 0.00 174.94 174.89 1qrk s LEU 183 N 1.10 3.06 0.97 2.97 1.43 -0.64 -2.57 118.68 124.99 1qrk s LEU 183 Ca -0.03 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1qrk s LEU 183 Cb -0.20 -1.96 0.17 0.00 0.03 0.00 0.00 46.19 44.24 1qrk s LEU 183 CO -0.05 -1.62 1.10 -0.36 0.23 0.00 0.00 176.35 175.65 1qrk s PHE 184 N -2.95 2.18 -0.40 0.29 0.08 -0.20 -1.81 117.98 115.19 1qrk s PHE 184 Ca 0.64 1.02 0.03 0.00 0.12 0.00 0.00 56.93 58.74 1qrk s PHE 184 Cb -0.06 -3.26 0.16 0.00 -0.57 0.00 0.00 43.02 39.30 1qrk s PHE 184 CO 0.42 -2.75 0.38 1.21 -0.10 0.00 0.00 175.22 174.37 1qrk s ASN 185 N -3.51 1.27 0.00 1.36 3.84 -1.26 -4.56 114.94 112.08 1qrk s ASN 185 Ca 0.65 -2.23 0.04 0.00 0.21 0.00 0.00 52.86 51.52 1qrk s ASN 185 Cb -0.18 0.20 0.20 0.00 -0.55 0.00 0.00 41.25 40.92 1qrk s ASN 185 CO 0.57 -0.21 0.85 -0.81 -2.79 0.00 0.00 177.10 174.71 1qrk n PRO 186 N 3.56 0.08 0.09 0.43 -0.04 -1.26 -1.46 135.00 136.39 1qrk n PRO 186 Ca 0.19 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 1qrk n PRO 186 Cb 0.46 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1qrk n PRO 186 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1qrk n TRP 187 N -1.17 0.87 -3.37 0.54 8.01 -1.26 -1.11 117.44 119.95 1qrk n TRP 187 Ca 0.02 0.25 -0.39 0.00 -1.31 0.00 0.00 57.50 56.07 1qrk n TRP 187 Cb 0.02 -0.89 -0.09 0.00 -2.01 0.00 0.00 31.31 28.34 1qrk n TRP 187 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1qrk n GLU 189 N 5.28 0.29 0.00 0.00 0.28 -1.26 -1.99 120.64 123.24 1qrk n GLU 189 Ca -0.08 0.10 0.09 0.00 -0.16 0.00 0.00 57.16 57.11 1qrk n GLU 189 Cb 0.51 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.90 1qrk n GLU 189 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1qrk n ASP 190 N -1.17 2.03 -4.79 -1.84 8.00 -1.26 -4.90 116.55 112.62 1qrk n ASP 190 Ca 0.08 -1.51 -0.38 0.00 0.71 0.00 0.00 54.79 53.69 1qrk n ASP 190 Cb 0.08 0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 1qrk n ASP 190 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qrk s ASP 191 N -1.94 6.73 0.54 -2.24 -1.08 -0.84 -4.82 116.67 113.02 1qrk s ASP 191 Ca 0.17 0.87 0.27 0.00 -0.52 0.00 0.00 52.55 53.34 1qrk s ASP 191 Cb 0.15 -2.25 1.57 0.00 -1.46 0.00 0.00 42.92 40.93 1qrk s ASP 191 CO 0.39 0.21 2.14 0.00 0.52 0.00 0.00 175.17 178.43 1qrk h ALA 192 N 5.52 1.43 -0.02 3.66 0.00 -1.86 -0.80 119.26 127.18 1qrk h ALA 192 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1qrk h ALA 192 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1qrk h ALA 192 CO 0.67 0.09 0.00 0.28 0.00 0.00 0.00 179.25 180.29 1qrk n VAL 193 N -3.79 0.02 -1.64 0.00 0.31 -1.26 -2.87 118.33 109.09 1qrk n VAL 193 Ca -0.02 -0.05 -0.48 0.00 -0.01 0.00 0.00 64.34 63.78 1qrk n VAL 193 Cb 0.17 -0.24 -0.05 0.00 -0.91 0.00 0.00 33.84 32.82 1qrk n VAL 193 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qrk n TYR 194 N -0.68 2.04 -4.17 3.52 9.36 -0.31 -4.35 117.16 122.57 1qrk n TYR 194 Ca 0.17 0.38 -0.28 0.00 3.32 0.00 0.00 57.90 61.49 1qrk n TYR 194 Cb 0.12 -2.48 -0.17 0.00 -0.63 0.00 0.00 39.34 36.18 1qrk n TYR 194 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1qrk s LEU 195 N 0.85 1.54 -1.10 2.98 0.20 -0.27 -4.94 118.68 117.94 1qrk s LEU 195 Ca 0.81 -0.39 -0.03 0.00 0.69 0.00 0.00 54.13 55.20 1qrk s LEU 195 Cb -0.77 -1.01 0.28 0.00 -0.43 0.00 0.00 46.19 44.26 1qrk s LEU 195 CO 0.41 -0.05 1.79 -0.90 -0.29 0.00 0.00 176.35 177.31 1qrk n ASP 196 N 4.56 7.00 -3.15 3.68 5.75 -1.26 -4.65 116.55 128.47 1qrk n ASP 196 Ca -0.17 -3.50 0.05 0.00 -0.01 0.00 0.00 54.79 51.16 1qrk n ASP 196 Cb 0.51 -1.24 -0.02 0.00 -1.03 0.00 0.00 41.12 39.34 1qrk n ASP 196 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1qrk s ASN 197 N -1.16 -0.66 0.41 -1.12 3.84 -1.26 -5.03 114.94 109.96 1qrk s ASN 197 Ca 0.38 0.42 0.10 0.00 0.21 0.00 0.00 52.86 53.97 1qrk s ASN 197 Cb 0.14 1.56 0.92 0.00 -0.55 0.00 0.00 41.25 43.31 1qrk s ASN 197 CO -0.04 -0.12 2.00 -0.08 -2.79 0.00 0.00 177.10 176.06 1qrk h GLU 198 N 8.00 0.51 0.19 0.43 4.57 -1.98 0.18 114.58 126.47 1qrk h GLU 198 Ca -0.16 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1qrk h GLU 198 Cb 1.17 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 1qrk h GLU 198 CO -0.02 0.34 -0.15 0.87 -1.18 0.00 0.00 179.01 178.87 1qrk h LYS 199 N 0.53 -0.35 -0.74 1.92 6.56 -1.99 -0.51 116.57 121.99 1qrk h LYS 199 Ca 0.25 0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.80 1qrk h LYS 199 Cb 0.31 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.02 1qrk h LYS 199 CO -0.07 -0.23 0.22 0.93 -2.06 0.00 0.00 179.45 178.23 1qrk h GLU 200 N -0.36 1.16 -0.52 3.15 5.08 -1.76 -1.44 114.58 119.89 1qrk h GLU 200 Ca -0.01 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1qrk h GLU 200 Cb 0.32 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1qrk h GLU 200 CO -0.02 1.00 0.23 0.00 -1.00 0.00 0.00 179.01 179.22 1qrk h ARG 201 N 1.11 0.44 0.43 2.33 3.08 -0.34 0.41 114.38 121.83 1qrk h ARG 201 Ca 0.24 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1qrk h ARG 201 Cb 0.33 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1qrk h ARG 201 CO -0.00 0.29 -0.20 0.93 -1.07 0.00 0.00 179.97 179.91 1qrk h GLU 202 N 0.45 -0.55 0.06 0.04 5.08 -0.80 -1.22 114.58 117.64 1qrk h GLU 202 Ca 0.24 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1qrk h GLU 202 Cb 0.20 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1qrk h GLU 202 CO -0.20 -0.30 -0.06 1.49 -1.00 0.00 0.00 179.01 178.94 1qrk h GLU 203 N -0.71 -0.12 0.00 2.33 4.57 -0.72 0.48 114.58 120.41 1qrk h GLU 203 Ca -0.06 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1qrk h GLU 203 Cb 0.51 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1qrk h GLU 203 CO 0.10 -0.08 0.00 0.66 -1.18 0.00 0.00 179.01 178.51 1qrk n TYR 204 N -2.67 0.50 0.00 0.92 4.01 0.14 -3.13 117.16 116.94 1qrk n TYR 204 Ca -0.01 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 1qrk n TYR 204 Cb 0.06 -0.84 0.00 0.00 -0.31 0.00 0.00 39.34 38.25 1qrk n TYR 204 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1qrk n VAL 205 N -1.97 0.00 0.10 -0.72 0.31 -0.49 -2.89 118.33 112.66 1qrk n VAL 205 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1qrk n VAL 205 Cb 0.17 -0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 32.29 1qrk n VAL 205 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1qrk h LEU 206 N 0.00 0.00 -9.52 7.52 4.07 -0.55 -3.45 115.31 113.38 1qrk h LEU 206 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1qrk h LEU 206 Cb 0.66 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.41 1qrk h LEU 206 CO 0.00 0.59 0.65 0.21 -1.08 0.00 0.00 178.44 178.81 1qrk s ASN 207 N -6.28 6.94 -0.18 -0.43 3.84 0.14 -4.93 114.94 114.04 1qrk s ASN 207 Ca 0.01 2.18 0.16 0.00 0.21 0.00 0.00 52.86 55.43 1qrk s ASN 207 Cb 0.08 -2.58 0.52 0.00 -0.55 0.00 0.00 41.25 38.71 1qrk s ASN 207 CO 0.77 -0.57 1.41 -0.90 -2.79 0.00 0.00 177.10 175.03 1qrk n ASP 208 N 3.95 3.70 -3.98 -4.21 5.75 -1.26 -4.93 116.55 115.57 1qrk n ASP 208 Ca 0.10 -3.08 -0.14 0.00 -0.01 0.00 0.00 54.79 51.66 1qrk n ASP 208 Cb 0.44 -0.55 -0.13 0.00 -1.03 0.00 0.00 41.12 39.85 1qrk n ASP 208 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1qrk s ILE 209 N -2.87 0.38 0.16 2.12 1.01 -1.26 -2.25 121.20 118.50 1qrk s ILE 209 Ca 0.42 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.51 1qrk s ILE 209 Cb 0.34 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.41 1qrk s ILE 209 CO 0.08 -0.08 0.22 -0.83 0.00 0.00 0.00 174.94 174.32 1qrk s GLY 210 N -0.62 0.73 -0.03 6.18 0.00 0.21 -4.87 107.32 108.92 1qrk s GLY 210 Ca -0.03 -1.14 0.07 0.00 0.00 0.00 0.00 44.72 43.62 1qrk s GLY 210 CO -0.00 -1.03 -0.24 -1.34 0.00 0.00 0.00 173.10 170.48 1qrk s VAL 211 N -4.02 1.93 -0.16 1.40 -7.23 -1.26 -0.14 120.40 110.92 1qrk s VAL 211 Ca 0.22 -1.03 -0.01 0.00 -1.81 0.00 0.00 61.98 59.35 1qrk s VAL 211 Cb 0.05 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 1qrk s VAL 211 CO 0.03 0.54 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.62 1qrk s ILE 212 N -0.44 3.15 0.09 -0.62 1.01 0.11 -4.68 121.20 119.81 1qrk s ILE 212 Ca 0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 1qrk s ILE 212 Cb -0.11 -2.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.95 1qrk s ILE 212 CO 0.00 0.50 0.40 -0.36 0.00 0.00 0.00 174.94 175.48 1qrk s PHE 213 N 0.68 3.57 0.00 3.97 0.40 -1.26 -1.69 117.98 123.64 1qrk s PHE 213 Ca -0.05 0.76 0.00 0.00 -0.60 0.00 0.00 56.93 57.03 1qrk s PHE 213 Cb -0.15 -2.14 0.00 0.00 0.51 0.00 0.00 43.02 41.24 1qrk s PHE 213 CO 0.02 0.51 0.00 2.48 0.70 0.00 0.00 175.22 178.93 1qrk n TYR 214 N 0.81 0.00 0.00 0.36 4.11 0.59 -4.91 117.16 118.12 1qrk n TYR 214 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.83 1qrk n TYR 214 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1qrk n TYR 214 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1qrk n GLY 215 N 0.00 1.41 3.30 -7.48 0.00 -1.26 -1.20 105.19 99.95 1qrk n GLY 215 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 1qrk n GLY 215 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qrk s GLU 216 N 0.00 0.83 0.48 1.61 4.04 -0.99 -4.62 118.70 120.05 1qrk s GLU 216 Ca 0.00 -0.26 0.36 0.00 0.04 0.00 0.00 54.97 55.11 1qrk s GLU 216 Cb 0.00 0.37 1.53 0.00 0.02 0.00 0.00 34.13 36.05 1qrk s GLU 216 CO 0.00 -0.26 1.61 -0.24 -1.84 0.00 0.00 175.26 174.53 1qrk h VAL 217 N 3.33 0.09 0.00 1.83 3.04 -1.90 0.56 116.25 123.20 1qrk h VAL 217 Ca -0.30 -0.02 -0.14 0.00 -1.01 0.00 0.00 66.70 65.23 1qrk h VAL 217 Cb 1.19 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 1qrk h VAL 217 CO 0.42 0.01 -0.92 0.78 -1.01 0.00 0.00 177.57 176.85 1qrk h ASN 218 N 0.04 0.00 -2.78 3.17 -0.26 -1.97 -3.40 115.58 110.39 1qrk h ASN 218 Ca 0.85 0.00 -0.60 0.00 -0.56 0.00 0.00 56.30 55.99 1qrk h ASN 218 Cb 2.93 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 39.79 1qrk h ASN 218 CO -0.30 0.57 -0.83 -0.62 -1.06 0.00 0.00 177.43 175.19 1qrk s ASP 219 N -6.19 2.79 -0.04 5.81 2.15 0.19 -5.10 116.67 116.28 1qrk s ASP 219 Ca 0.01 -3.03 -0.30 0.00 0.43 0.00 0.00 52.55 49.67 1qrk s ASP 219 Cb 0.08 -0.80 -0.05 0.00 -0.30 0.00 0.00 42.92 41.85 1qrk s ASP 219 CO 0.78 -0.19 1.50 -0.63 -0.17 0.00 0.00 175.17 176.46 1qrk s ILE 220 N -0.06 3.69 -0.01 4.11 1.09 -1.17 -2.35 121.20 126.50 1qrk s ILE 220 Ca 0.26 0.95 0.02 0.00 -1.10 0.00 0.00 60.65 60.78 1qrk s ILE 220 Cb -0.07 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.68 1qrk s ILE 220 CO -0.12 -0.05 -0.03 -0.54 -0.10 0.00 0.00 174.94 174.09 1qrk s LYS 221 N 3.26 2.69 0.42 2.79 -0.14 -0.34 -4.94 119.74 123.48 1qrk s LYS 221 Ca 0.67 -0.64 0.07 0.00 -1.36 0.00 0.00 55.97 54.71 1qrk s LYS 221 Cb -0.31 -2.60 -0.07 0.00 -1.68 0.00 0.00 37.83 33.17 1qrk s LYS 221 CO 0.26 0.62 0.05 0.95 -0.76 0.00 0.00 175.35 176.47 1qrk s THR 222 N -1.02 2.02 -0.29 2.17 -4.23 -1.26 -0.30 115.64 112.74 1qrk s THR 222 Ca 0.18 -1.94 -0.22 0.00 -1.18 0.00 0.00 61.69 58.53 1qrk s THR 222 Cb -0.11 -2.96 0.16 0.00 1.34 0.00 0.00 72.50 70.93 1qrk s THR 222 CO 0.08 0.00 1.19 -0.60 -0.54 0.00 0.00 174.62 174.75 1qrk s ARG 223 N -3.76 0.26 0.21 3.99 3.00 -0.68 -4.96 118.95 117.00 1qrk s ARG 223 Ca 0.35 0.35 -0.20 0.00 -1.00 0.00 0.00 55.73 55.23 1qrk s ARG 223 Cb 0.08 0.10 -0.08 0.00 0.00 0.00 0.00 34.95 35.05 1qrk s ARG 223 CO 0.18 -0.04 0.71 -1.12 0.00 0.00 0.00 175.30 175.04 1qrk s SER 224 N 0.53 7.07 0.04 -2.12 0.01 -1.26 0.08 113.70 118.05 1qrk s SER 224 Ca 0.00 1.41 0.07 0.00 1.31 0.00 0.00 55.95 58.74 1qrk s SER 224 Cb -0.04 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 1qrk s SER 224 CO -0.12 0.06 -0.21 0.86 0.41 0.00 0.00 173.24 174.25 1qrk s TRP 225 N -1.47 1.82 -0.42 2.43 -0.11 0.80 -4.92 118.94 117.08 1qrk s TRP 225 Ca 0.41 -0.38 -0.13 0.00 1.22 0.00 0.00 56.10 57.23 1qrk s TRP 225 Cb -0.17 -1.08 0.05 0.00 -1.50 0.00 0.00 33.47 30.76 1qrk s TRP 225 CO 0.21 0.09 0.29 0.45 -4.62 0.00 0.00 176.95 173.37 1qrk s SER 226 N -1.17 5.92 0.10 5.86 0.15 -0.68 -0.62 113.70 123.26 1qrk s SER 226 Ca 0.07 -1.16 -0.18 0.00 0.70 0.00 0.00 55.95 55.39 1qrk s SER 226 Cb -0.09 -2.09 -0.06 0.00 -1.71 0.00 0.00 66.02 62.06 1qrk s SER 226 CO 0.02 -0.50 1.56 1.88 1.20 0.00 0.00 173.24 177.39 1qrk h TYR 227 N 8.56 0.52 -5.83 3.44 0.05 -1.84 -0.83 116.97 121.04 1qrk h TYR 227 Ca -0.26 -0.08 -0.44 0.00 0.05 0.00 0.00 58.73 58.00 1qrk h TYR 227 Cb 1.11 -0.14 0.01 0.00 1.01 0.00 0.00 36.73 38.71 1qrk h TYR 227 CO 0.59 0.60 -0.69 0.41 -1.05 0.00 0.00 178.16 178.02 1qrk n GLY 228 N -0.41 -0.51 0.22 3.88 0.00 -0.95 -4.38 105.19 103.03 1qrk n GLY 228 Ca -0.03 0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1qrk n GLY 228 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1qrk h GLN 229 N -1.97 0.00 -0.01 1.61 -0.00 -1.87 -2.16 115.11 110.71 1qrk h GLN 229 Ca -0.55 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.10 1qrk h GLN 229 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.84 1qrk h GLN 229 CO 0.62 0.22 -0.05 1.19 -0.00 0.00 0.00 178.83 180.81 1qrk n PHE 230 N -4.25 0.00 -2.16 0.06 3.72 -1.26 -4.32 117.46 109.25 1qrk n PHE 230 Ca -0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.05 1qrk n PHE 230 Cb 0.28 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 1qrk n PHE 230 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1qrk s GLU 231 N -2.13 3.41 -0.33 -1.08 0.41 -0.81 -1.83 118.70 116.35 1qrk s GLU 231 Ca 0.37 1.26 -0.35 0.00 -0.41 0.00 0.00 54.97 55.84 1qrk s GLU 231 Cb 0.21 -2.04 -0.11 0.00 -1.78 0.00 0.00 34.13 30.41 1qrk s GLU 231 CO 0.38 -0.74 2.17 -3.47 -0.49 0.00 0.00 175.26 173.12 1qrk n ASP 232 N -1.77 2.28 0.00 -0.19 2.03 -1.26 -2.22 116.55 115.41 1qrk n ASP 232 Ca 0.09 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1qrk n ASP 232 Cb 0.53 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1qrk n ASP 232 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qrk n GLY 233 N 6.36 2.54 0.31 0.27 0.00 -1.26 -4.94 105.19 108.46 1qrk n GLY 233 Ca 0.39 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 46.21 1qrk n GLY 233 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qrk h ILE 234 N 0.00 0.64 -0.72 -0.61 1.08 -1.74 -0.15 117.51 116.01 1qrk h ILE 234 Ca 0.00 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1qrk h ILE 234 Cb 0.00 0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 33.77 1qrk h ILE 234 CO 0.00 0.10 0.36 0.25 -0.69 0.00 0.00 178.15 178.16 1qrk h LEU 235 N 0.54 0.94 -1.32 1.44 5.85 -1.76 -0.50 115.31 120.50 1qrk h LEU 235 Ca 0.49 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 59.04 1qrk h LEU 235 Cb 0.79 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1qrk h LEU 235 CO -0.42 0.80 -0.22 0.44 -0.34 0.00 0.00 178.44 178.70 1qrk h ASP 236 N 1.01 0.00 0.86 1.25 5.19 -1.44 -2.55 116.42 120.73 1qrk h ASP 236 Ca 0.25 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.44 1qrk h ASP 236 Cb 0.11 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1qrk h ASP 236 CO -0.03 0.22 -1.00 0.71 -3.12 0.00 0.00 179.24 176.01 1qrk h THR 237 N 0.00 1.63 -0.10 0.35 1.35 -0.45 -2.40 112.91 113.29 1qrk h THR 237 Ca -0.00 -3.17 0.01 0.00 -0.55 0.00 0.00 66.41 62.69 1qrk h THR 237 Cb 0.65 2.77 -0.00 0.00 -1.73 0.00 0.00 68.15 69.84 1qrk h THR 237 CO 0.03 0.91 0.07 0.00 -0.25 0.00 0.00 175.52 176.28 1qrk h LEU 239 N 0.10 0.00 -0.21 0.00 3.38 -1.32 -3.21 115.31 114.05 1qrk h LEU 239 Ca 0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 1qrk h LEU 239 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1qrk h LEU 239 CO -0.01 0.38 -0.75 0.22 0.09 0.00 0.00 178.44 178.38 1qrk h TYR 240 N 0.00 0.99 0.15 1.13 3.20 0.33 -1.87 116.97 120.90 1qrk h TYR 240 Ca -0.00 -0.43 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1qrk h TYR 240 Cb 1.23 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1qrk h TYR 240 CO 0.00 1.25 -0.15 0.28 -1.64 0.00 0.00 178.16 177.90 1qrk h VAL 241 N 0.51 0.66 -0.36 1.81 2.07 -0.93 0.19 116.25 120.22 1qrk h VAL 241 Ca -0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1qrk h VAL 241 Cb 1.37 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1qrk h VAL 241 CO 0.15 0.00 0.04 0.24 0.02 0.00 0.00 177.57 178.02 1qrk h MET 242 N -0.33 0.14 -0.84 1.57 2.86 -1.56 0.20 114.93 116.97 1qrk h MET 242 Ca 0.01 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1qrk h MET 242 Cb 0.31 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 1qrk h MET 242 CO -0.04 0.09 0.54 -0.44 1.06 0.00 0.00 176.91 178.12 1qrk h ASP 243 N 0.15 0.87 0.36 1.22 5.19 -1.11 0.91 116.42 124.01 1qrk h ASP 243 Ca 0.17 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1qrk h ASP 243 Cb 0.22 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 1qrk h ASP 243 CO -0.26 0.59 -0.11 0.03 -3.12 0.00 0.00 179.24 176.38 1qrk h ARG 244 N 1.02 0.00 -0.14 3.56 2.47 0.16 0.05 114.38 121.51 1qrk h ARG 244 Ca 0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 1qrk h ARG 244 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1qrk h ARG 244 CO -0.13 0.11 0.00 0.00 0.56 0.00 0.00 179.97 180.50 1qrk n ALA 245 N -2.27 2.53 -3.74 0.04 0.00 0.46 -4.90 120.51 112.63 1qrk n ALA 245 Ca -0.02 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 1qrk n ALA 245 Cb 0.23 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.57 1qrk n ALA 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qrk n GLN 246 N 0.16 -4.55 -2.22 0.00 6.02 0.00 -4.89 117.38 111.89 1qrk n GLN 246 Ca 0.16 0.55 -0.42 0.00 -0.01 0.00 0.00 57.00 57.28 1qrk n GLN 246 Cb 0.29 -5.37 -0.03 0.00 1.02 0.00 0.00 30.24 26.15 1qrk n GLN 246 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1qrk s MET 247 N -6.43 4.23 0.10 -1.09 1.75 -0.92 -4.79 119.30 112.15 1qrk s MET 247 Ca 0.58 1.93 -0.35 0.00 -1.25 0.00 0.00 55.69 56.60 1qrk s MET 247 Cb -0.30 -3.80 -0.15 0.00 2.84 0.00 0.00 34.83 33.42 1qrk s MET 247 CO 0.72 -0.73 1.53 -3.47 -0.65 0.00 0.00 175.02 172.42 1qrk n ASP 248 N 6.50 2.60 -0.33 1.11 2.03 -1.26 -4.37 116.55 122.83 1qrk n ASP 248 Ca 0.15 1.09 0.01 0.00 0.52 0.00 0.00 54.79 56.55 1qrk n ASP 248 Cb 0.44 -1.33 0.18 0.00 -0.72 0.00 0.00 41.12 39.69 1qrk n ASP 248 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1qrk h LEU 249 N 5.79 1.01 -0.04 -2.67 3.38 -1.58 -2.09 115.31 119.12 1qrk h LEU 249 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1qrk h LEU 249 Cb 1.29 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1qrk h LEU 249 CO 0.86 0.70 0.14 -1.20 0.09 0.00 0.00 178.44 179.03 1qrk n SER 250 N -4.44 0.01 -0.23 -0.43 7.64 -1.26 -1.20 113.62 113.72 1qrk n SER 250 Ca 0.12 0.37 0.03 0.00 1.01 0.00 0.00 58.87 60.40 1qrk n SER 250 Cb 0.09 -0.37 0.03 0.00 -1.01 0.00 0.00 64.21 62.95 1qrk n SER 250 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qrk n GLY 251 N -1.36 -0.54 0.00 0.23 0.00 -0.79 -4.53 105.19 98.20 1qrk n GLY 251 Ca -0.00 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.93 1qrk n GLY 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qrk n ARG 252 N 0.27 0.04 -0.31 1.61 1.74 -0.34 -1.08 116.66 118.60 1qrk n ARG 252 Ca 0.03 0.23 0.06 0.00 -0.77 0.00 0.00 57.85 57.41 1qrk n ARG 252 Cb 0.16 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.31 1qrk n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qrk n GLY 253 N 0.01 1.44 3.10 -0.13 0.00 -1.26 -3.79 105.19 104.55 1qrk n GLY 253 Ca 0.04 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1qrk n GLY 253 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qrk s ASN 254 N -0.86 4.93 0.46 1.61 3.84 -0.24 -4.84 114.94 119.84 1qrk s ASN 254 Ca 0.31 -1.81 0.21 0.00 0.21 0.00 0.00 52.86 51.78 1qrk s ASN 254 Cb 0.18 -1.71 1.21 0.00 -0.55 0.00 0.00 41.25 40.38 1qrk s ASN 254 CO 0.18 -0.39 1.90 1.55 -2.79 0.00 0.00 177.10 177.55 1qrk h PRO 255 N 7.87 0.25 0.37 0.43 0.13 -1.85 0.78 132.00 139.98 1qrk h PRO 255 Ca -0.13 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 1qrk h PRO 255 Cb 1.04 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1qrk h PRO 255 CO 0.58 0.17 -0.18 0.82 -0.23 0.00 0.00 178.00 179.16 1qrk h ILE 256 N 0.26 0.00 0.00 -3.56 2.04 -1.93 0.11 117.51 114.43 1qrk h ILE 256 Ca 0.41 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 66.21 1qrk h ILE 256 Cb 1.19 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1qrk h ILE 256 CO -0.10 0.00 -0.00 0.50 0.00 0.00 0.00 178.15 178.55 1qrk h LYS 257 N -0.55 0.00 -0.19 2.37 3.64 -1.83 0.45 116.57 120.46 1qrk h LYS 257 Ca -0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1qrk h LYS 257 Cb 0.38 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1qrk h LYS 257 CO 0.08 0.00 0.08 0.28 -2.27 0.00 0.00 179.45 177.62 1qrk h VAL 258 N 0.00 1.16 -0.21 2.00 2.07 -0.65 0.17 116.25 120.79 1qrk h VAL 258 Ca -0.00 -0.46 -0.19 0.00 0.82 0.00 0.00 66.70 66.86 1qrk h VAL 258 Cb 0.00 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1qrk h VAL 258 CO 0.00 0.15 -0.63 0.77 0.02 0.00 0.00 177.57 177.87 1qrk h SER 259 N 0.15 0.85 -0.59 0.57 4.64 0.57 0.13 113.55 119.87 1qrk h SER 259 Ca 0.06 -0.50 0.07 0.00 -0.47 0.00 0.00 61.79 60.96 1qrk h SER 259 Cb 0.16 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 61.95 1qrk h SER 259 CO -0.01 1.27 0.28 -0.09 -0.87 0.00 0.00 176.83 177.41 1qrk h ARG 260 N 0.55 0.49 0.06 4.77 9.65 0.10 -0.80 114.38 129.20 1qrk h ARG 260 Ca -0.01 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 1qrk h ARG 260 Cb 1.23 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 29.71 1qrk h ARG 260 CO 0.13 0.33 -0.41 0.28 2.80 0.00 0.00 179.97 183.09 1qrk h VAL 261 N 0.51 1.63 -0.75 0.20 2.07 -0.67 -3.30 116.25 115.94 1qrk h VAL 261 Ca 0.28 -2.42 0.16 0.00 0.82 0.00 0.00 66.70 65.53 1qrk h VAL 261 Cb 0.26 3.27 -0.10 0.00 -1.52 0.00 0.00 31.29 33.19 1qrk h VAL 261 CO -0.23 0.65 0.25 1.23 0.02 0.00 0.00 177.57 179.49 1qrk h GLY 262 N -0.71 1.11 1.66 2.17 0.00 -0.46 -1.19 103.07 105.65 1qrk h GLY 262 Ca -0.08 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 1qrk h GLY 262 CO 0.06 -0.16 -0.34 1.48 0.00 0.00 0.00 176.54 177.58 1qrk h SER 263 N 0.36 0.40 0.81 0.19 4.64 -1.30 -2.40 113.55 116.25 1qrk h SER 263 Ca 0.42 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1qrk h SER 263 Cb 0.70 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1qrk h SER 263 CO -0.46 0.72 0.00 0.00 -0.87 0.00 0.00 176.83 176.22 1qrk h ALA 264 N 1.31 1.00 0.00 5.18 0.00 -1.30 -2.73 119.26 122.72 1qrk h ALA 264 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1qrk h ALA 264 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1qrk h ALA 264 CO 0.06 0.00 -0.92 0.52 0.00 0.00 0.00 179.25 178.91 1qrk h MET 265 N 0.00 0.00 -0.41 0.00 2.86 -1.13 -3.38 114.93 112.87 1qrk h MET 265 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1qrk h MET 265 Cb 0.40 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1qrk h MET 265 CO 0.00 0.44 0.18 0.28 1.06 0.00 0.00 176.91 178.87 1qrk h VAL 266 N 0.00 0.94 -3.17 -2.22 2.07 -1.41 0.65 116.25 113.11 1qrk h VAL 266 Ca -0.07 -0.13 -0.74 0.00 0.82 0.00 0.00 66.70 66.59 1qrk h VAL 266 Cb 1.49 0.53 -0.22 0.00 -1.52 0.00 0.00 31.29 31.57 1qrk h VAL 266 CO 0.06 0.07 -0.19 0.21 0.02 0.00 0.00 177.57 177.74 1qrk s ASN 267 N -5.42 6.18 -0.64 0.57 2.47 -1.26 -0.24 114.94 116.60 1qrk s ASN 267 Ca -0.13 -1.46 -0.30 0.00 0.42 0.00 0.00 52.86 51.40 1qrk s ASN 267 Cb 0.12 -2.22 -0.13 0.00 -1.45 0.00 0.00 41.25 37.57 1qrk s ASN 267 CO 0.72 -0.81 2.47 0.00 -3.72 0.00 0.00 177.10 175.76 1qrk n ALA 268 N 5.48 0.67 -2.77 1.71 0.00 0.21 -4.59 120.51 121.22 1qrk n ALA 268 Ca -0.12 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.35 1qrk n ALA 268 Cb 0.42 -2.76 -0.01 0.00 0.00 0.00 0.00 19.45 17.11 1qrk n ALA 268 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qrk s LYS 269 N 8.14 3.94 -0.30 0.00 -0.14 -1.26 -4.60 119.74 125.52 1qrk s LYS 269 Ca 1.13 -2.11 -0.11 0.00 -1.36 0.00 0.00 55.97 53.53 1qrk s LYS 269 Cb -0.68 -5.25 0.01 0.00 -1.68 0.00 0.00 37.83 30.23 1qrk s LYS 269 CO 0.38 -2.00 0.40 -3.47 -0.76 0.00 0.00 175.35 169.91 1qrk n ASP 270 N 7.12 -6.19 -2.30 2.83 -0.08 -1.26 -3.86 116.55 112.81 1qrk n ASP 270 Ca 0.39 0.41 -0.20 0.00 -1.51 0.00 0.00 54.79 53.88 1qrk n ASP 270 Cb 0.46 -4.09 -0.02 0.00 2.34 0.00 0.00 41.12 39.80 1qrk n ASP 270 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1qrk n ASP 271 N -0.32 -5.75 0.00 1.67 2.03 -1.26 -4.85 116.55 108.07 1qrk n ASP 271 Ca 0.08 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1qrk n ASP 271 Cb 0.31 -4.82 0.00 0.00 -0.72 0.00 0.00 41.12 35.88 1qrk n ASP 271 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1qrk n GLU 272 N -2.92 0.00 0.00 -0.67 1.02 -1.25 -4.81 120.64 112.01 1qrk n GLU 272 Ca -0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1qrk n GLU 272 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.10 1qrk n GLU 272 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qrk n GLY 273 N 3.39 -3.33 0.00 0.62 0.00 -1.26 -4.68 105.19 99.92 1qrk n GLY 273 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1qrk n GLY 273 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qrk n VAL 274 N -2.73 0.00 -3.67 1.61 0.31 0.23 -3.91 118.33 110.17 1qrk n VAL 274 Ca 0.00 0.67 -0.33 0.00 -0.01 0.00 0.00 64.34 64.67 1qrk n VAL 274 Cb 0.00 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.30 1qrk n VAL 274 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1qrk s LEU 275 N -3.68 4.30 -0.37 7.52 1.43 0.67 -0.12 118.68 128.43 1qrk s LEU 275 Ca 0.00 0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 53.59 1qrk s LEU 275 Cb 0.00 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 43.11 1qrk s LEU 275 CO 0.00 0.12 0.24 -0.69 0.23 0.00 0.00 176.35 176.25 1qrk s VAL 276 N -1.54 4.97 0.63 -1.59 1.01 0.92 0.67 120.40 125.47 1qrk s VAL 276 Ca 0.37 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 1qrk s VAL 276 Cb -0.13 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1qrk s VAL 276 CO 0.22 -0.18 1.10 -0.83 0.00 0.00 0.00 175.10 175.41 1qrk s GLY 277 N 1.64 2.20 -0.30 4.51 0.00 -1.26 -0.49 107.32 113.63 1qrk s GLY 277 Ca 0.04 0.54 -0.16 0.00 0.00 0.00 0.00 44.72 45.14 1qrk s GLY 277 CO 0.09 0.89 1.15 -0.45 0.00 0.00 0.00 173.10 174.78 1qrk s SER 278 N -2.53 -0.23 -0.15 1.64 0.15 -0.45 -4.74 113.70 107.39 1qrk s SER 278 Ca 0.67 0.37 0.18 0.00 0.70 0.00 0.00 55.95 57.86 1qrk s SER 278 Cb -0.20 1.11 0.36 0.00 -1.71 0.00 0.00 66.02 65.58 1qrk s SER 278 CO 0.39 -0.06 1.23 0.79 1.20 0.00 0.00 173.24 176.79 1qrk n TRP 279 N 3.40 0.27 -2.94 3.44 8.01 -1.26 -4.71 117.44 123.65 1qrk n TRP 279 Ca -0.17 -0.98 -0.43 0.00 -1.31 0.00 0.00 57.50 54.60 1qrk n TRP 279 Cb 0.57 -0.20 -0.05 0.00 -2.01 0.00 0.00 31.31 29.61 1qrk n TRP 279 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.69 176.84 1qrk s ASP 280 N -2.63 6.41 0.00 -0.99 1.47 -1.26 -4.91 116.67 114.77 1qrk s ASP 280 Ca 0.35 -0.11 0.00 0.00 1.18 0.00 0.00 52.55 53.97 1qrk s ASP 280 Cb 0.30 -2.40 0.00 0.00 -0.34 0.00 0.00 42.92 40.48 1qrk s ASP 280 CO 0.04 -0.96 0.00 -3.20 0.68 0.00 0.00 175.17 171.73 1qrk n ASN 281 N 6.83 0.00 -0.11 2.11 4.05 -1.26 -1.74 115.26 125.15 1qrk n ASN 281 Ca 0.03 0.00 -0.20 0.00 0.45 0.00 0.00 54.58 54.86 1qrk n ASN 281 Cb 0.48 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.43 1qrk n ASN 281 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1qrk n ILE 282 N -0.20 1.43 -3.10 -1.44 5.41 -1.26 -5.00 119.36 115.20 1qrk n ILE 282 Ca 0.00 -0.14 -0.14 0.00 1.00 0.00 0.00 62.75 63.47 1qrk n ILE 282 Cb 0.00 -2.03 0.07 0.00 -0.71 0.00 0.00 39.64 36.97 1qrk n ILE 282 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1qrk n TYR 283 N -4.24 -1.97 -0.22 1.39 4.01 -0.71 -4.87 117.16 110.55 1qrk n TYR 283 Ca -0.35 0.76 0.06 0.00 -0.16 0.00 0.00 57.90 58.21 1qrk n TYR 283 Cb 0.70 -4.25 0.12 0.00 -0.31 0.00 0.00 39.34 35.60 1qrk n TYR 283 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qrk n ALA 284 N -3.31 0.21 -2.38 -0.72 0.00 -1.26 -3.19 120.51 109.86 1qrk n ALA 284 Ca -0.15 0.67 -0.05 0.00 0.00 0.00 0.00 53.44 53.91 1qrk n ALA 284 Cb 0.62 -0.44 0.06 0.00 0.00 0.00 0.00 19.45 19.70 1qrk n ALA 284 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qrk n TYR 285 N -4.93 1.24 -1.87 0.00 4.01 -1.26 -5.10 117.16 109.25 1qrk n TYR 285 Ca 0.12 -1.75 0.00 0.00 -0.16 0.00 0.00 57.90 56.11 1qrk n TYR 285 Cb 0.37 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1qrk n TYR 285 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qrk n GLY 286 N -0.48 2.67 3.67 2.72 0.00 -1.19 -4.99 105.19 107.59 1qrk n GLY 286 Ca 0.19 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 1qrk n GLY 286 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qrk s VAL 287 N -2.21 5.10 0.25 1.61 1.01 -0.85 -4.88 120.40 120.43 1qrk s VAL 287 Ca 0.00 1.04 -0.31 0.00 0.00 0.00 0.00 61.98 62.71 1qrk s VAL 287 Cb 0.00 -3.87 -0.12 0.00 0.00 0.00 0.00 36.38 32.39 1qrk s VAL 287 CO 0.00 0.19 1.63 -2.65 0.00 0.00 0.00 175.10 174.27 1qrk n PRO 288 N 4.61 2.65 -0.32 2.72 -0.02 -1.26 -1.49 135.00 141.88 1qrk n PRO 288 Ca -0.04 0.95 0.36 0.00 -2.02 0.00 0.00 63.50 62.74 1qrk n PRO 288 Cb 0.50 -2.74 0.72 0.00 -0.02 0.00 0.00 33.50 31.96 1qrk n PRO 288 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1qrk h PRO 289 N 5.49 0.00 -0.03 0.52 0.11 -1.90 0.10 132.00 136.29 1qrk h PRO 289 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qrk h PRO 289 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1qrk h PRO 289 CO 0.85 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.07 1qrk n SER 290 N -3.91 0.49 -0.09 -2.05 7.64 -1.26 -3.88 113.62 110.56 1qrk n SER 290 Ca 0.26 -1.35 -0.16 0.00 1.01 0.00 0.00 58.87 58.63 1qrk n SER 290 Cb 1.36 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 64.41 1qrk n SER 290 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qrk n ALA 291 N -0.53 1.37 -1.55 -0.43 0.00 0.02 -4.24 120.51 115.16 1qrk n ALA 291 Ca 0.18 -1.06 -0.43 0.00 0.00 0.00 0.00 53.44 52.13 1qrk n ALA 291 Cb 0.16 -0.28 -0.00 0.00 0.00 0.00 0.00 19.45 19.33 1qrk n ALA 291 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1qrk n TRP 292 N -3.14 0.67 0.09 0.00 7.02 -1.25 -4.80 117.44 116.03 1qrk n TRP 292 Ca -0.38 0.66 0.07 0.00 -1.02 0.00 0.00 57.50 56.83 1qrk n TRP 292 Cb 1.05 -2.16 -0.10 0.00 -2.42 0.00 0.00 31.31 27.68 1qrk n TRP 292 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1qrk n THR 293 N -0.28 0.00 -3.94 -0.99 -2.24 -1.26 -5.01 114.28 100.56 1qrk n THR 293 Ca 0.11 -0.29 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 1qrk n THR 293 Cb 0.35 0.31 0.02 0.00 -2.10 0.00 0.00 70.33 68.92 1qrk n THR 293 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qrk s GLY 294 N -3.37 0.05 0.21 3.38 0.00 -1.26 -1.69 107.32 104.64 1qrk s GLY 294 Ca -0.03 -0.24 0.10 0.00 0.00 0.00 0.00 44.72 44.54 1qrk s GLY 294 CO 0.57 3.90 1.45 1.76 0.00 0.00 0.00 173.10 180.79 1qrk h SER 295 N 2.00 0.00 0.00 1.64 0.02 -1.37 -3.40 113.55 112.45 1qrk h SER 295 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1qrk h SER 295 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1qrk h SER 295 CO 0.35 0.76 0.00 0.52 -1.14 0.00 0.00 176.83 177.32 1qrk n VAL 296 N -3.52 0.00 0.26 2.27 0.31 -1.26 -0.35 118.33 116.05 1qrk n VAL 296 Ca -0.00 1.35 0.16 0.00 -0.01 0.00 0.00 64.34 65.83 1qrk n VAL 296 Cb 0.77 -1.92 0.88 0.00 -0.91 0.00 0.00 33.84 32.66 1qrk n VAL 296 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1qrk h ASP 297 N 0.00 0.00 0.42 4.52 2.03 -1.97 0.52 116.42 121.94 1qrk h ASP 297 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 1qrk h ASP 297 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1qrk h ASP 297 CO 0.00 0.00 -0.20 0.40 -1.03 0.00 0.00 179.24 178.41 1qrk h ILE 298 N 0.00 0.42 -0.58 4.15 2.04 -1.53 -1.21 117.51 120.81 1qrk h ILE 298 Ca 0.03 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1qrk h ILE 298 Cb 0.18 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1qrk h ILE 298 CO -0.00 0.08 0.30 -0.07 0.00 0.00 0.00 178.15 178.45 1qrk h LEU 299 N -0.96 0.71 -0.76 1.44 3.38 0.11 -0.88 115.31 118.35 1qrk h LEU 299 Ca -0.06 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1qrk h LEU 299 Cb 0.56 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1qrk h LEU 299 CO 0.10 0.59 -0.51 -0.07 0.09 0.00 0.00 178.44 178.64 1qrk h LEU 300 N 0.80 0.00 -0.07 1.67 3.38 -0.93 -1.95 115.31 118.20 1qrk h LEU 300 Ca 0.20 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 1qrk h LEU 300 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1qrk h LEU 300 CO -0.03 0.51 -1.01 -0.08 0.09 0.00 0.00 178.44 177.92 1qrk h GLU 301 N 0.00 0.56 -0.27 1.13 4.22 0.05 -1.69 114.58 118.58 1qrk h GLU 301 Ca -0.01 -0.61 -0.01 0.00 0.08 0.00 0.00 59.36 58.81 1qrk h GLU 301 Cb 1.05 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1qrk h GLU 301 CO 0.07 1.23 0.11 -0.92 -2.18 0.00 0.00 179.01 177.32 1qrk h TYR 302 N 0.31 0.41 -0.21 0.92 3.20 -1.13 -0.56 116.97 119.91 1qrk h TYR 302 Ca -0.11 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.76 1qrk h TYR 302 Cb 1.66 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.78 1qrk h TYR 302 CO 0.08 0.40 0.02 -0.09 -1.64 0.00 0.00 178.16 176.94 1qrk h ARG 303 N 0.29 0.10 -0.28 1.82 9.65 -1.29 0.72 114.38 125.39 1qrk h ARG 303 Ca 0.09 -0.01 -0.19 0.00 -1.10 0.00 0.00 59.98 58.77 1qrk h ARG 303 Cb 0.17 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1qrk h ARG 303 CO -0.01 0.06 -0.57 0.77 2.80 0.00 0.00 179.97 183.03 1qrk h SER 304 N 0.10 0.99 0.87 -3.80 0.02 -1.24 -3.26 113.55 107.22 1qrk h SER 304 Ca 0.10 -0.54 -0.21 0.00 -0.84 0.00 0.00 61.79 60.30 1qrk h SER 304 Cb 0.11 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1qrk h SER 304 CO -0.14 1.35 -1.22 0.77 -1.14 0.00 0.00 176.83 176.44 1qrk h SER 305 N 0.67 0.00 -1.27 3.07 4.64 -1.08 -3.48 113.55 116.10 1qrk h SER 305 Ca 0.01 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1qrk h SER 305 Cb 1.18 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.17 1qrk h SER 305 CO 0.13 0.81 -0.35 -0.62 -0.87 0.00 0.00 176.83 175.93 1qrk n GLU 306 N -3.13 -1.23 -4.16 4.77 1.02 0.25 -4.98 120.64 113.18 1qrk n GLU 306 Ca -0.07 1.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.99 1qrk n GLU 306 Cb 0.91 -5.30 -0.10 0.00 -0.02 0.00 0.00 31.44 26.94 1qrk n GLU 306 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1qrk s ASN 307 N -2.65 0.92 0.44 1.62 0.01 -1.25 -5.05 114.94 108.97 1qrk s ASN 307 Ca 0.00 -1.06 -0.25 0.00 -0.71 0.00 0.00 52.86 50.84 1qrk s ASN 307 Cb 0.00 0.14 -0.09 0.00 0.41 0.00 0.00 41.25 41.71 1qrk s ASN 307 CO 0.00 -0.54 1.35 -2.65 -1.51 0.00 0.00 177.10 173.75 1qrk n PRO 308 N -0.05 2.08 -3.22 -0.60 -0.02 -1.25 -4.60 135.00 127.34 1qrk n PRO 308 Ca -0.11 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.73 1qrk n PRO 308 Cb 0.62 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 1qrk n PRO 308 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qrk s VAL 309 N -1.20 4.91 -0.17 -1.45 1.01 0.83 -4.86 120.40 119.48 1qrk s VAL 309 Ca 0.61 1.22 -0.05 0.00 0.00 0.00 0.00 61.98 63.76 1qrk s VAL 309 Cb -0.48 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1qrk s VAL 309 CO 0.58 0.43 -0.00 -0.13 0.00 0.00 0.00 175.10 175.97 1qrk s ARG 310 N -0.24 3.77 0.30 2.72 0.52 -1.26 -0.06 118.95 124.70 1qrk s ARG 310 Ca 0.30 -0.46 0.03 0.00 -0.52 0.00 0.00 55.73 55.08 1qrk s ARG 310 Cb -0.18 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 1qrk s ARG 310 CO 0.17 0.24 0.13 0.71 0.02 0.00 0.00 175.30 176.58 1qrk s TYR 311 N 0.39 1.62 0.20 -0.53 2.02 -0.56 -2.00 117.35 118.50 1qrk s TYR 311 Ca -0.02 -1.29 -0.06 0.00 -0.37 0.00 0.00 57.07 55.33 1qrk s TYR 311 Cb -0.14 -0.92 -0.02 0.00 -0.40 0.00 0.00 41.96 40.48 1qrk s TYR 311 CO 0.02 -0.42 0.27 0.20 -1.57 0.00 0.00 175.55 174.05 1qrk s GLY 312 N -3.39 0.93 0.30 0.71 0.00 0.35 -4.06 107.32 102.17 1qrk s GLY 312 Ca 0.35 -1.26 -0.03 0.00 0.00 0.00 0.00 44.72 43.78 1qrk s GLY 312 CO 0.16 -1.04 0.41 1.20 0.00 0.00 0.00 173.10 173.84 1qrk s GLN 313 N -4.07 1.73 0.10 2.90 -0.21 -1.26 -1.35 119.66 117.50 1qrk s GLN 313 Ca 0.28 -1.66 -0.20 0.00 0.02 0.00 0.00 55.36 53.81 1qrk s GLN 313 Cb 0.04 0.41 -0.04 0.00 1.00 0.00 0.00 33.01 34.42 1qrk s GLN 313 CO 0.08 -0.69 1.31 0.00 -2.12 0.00 0.00 175.29 173.87 1qrk h TRP 315 N 0.00 0.00 0.33 0.00 0.09 -1.98 0.11 115.95 114.49 1qrk h TRP 315 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 59.06 1qrk h TRP 315 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.50 1qrk h TRP 315 CO -0.97 0.00 -0.16 0.28 0.09 0.00 0.00 178.44 177.68 1qrk h VAL 316 N 0.00 0.44 -0.88 0.12 2.07 -0.44 0.77 116.25 118.33 1qrk h VAL 316 Ca 0.11 -0.76 0.22 0.00 0.82 0.00 0.00 66.70 67.10 1qrk h VAL 316 Cb 0.52 0.70 -0.13 0.00 -1.52 0.00 0.00 31.29 30.87 1qrk h VAL 316 CO -0.00 0.10 0.34 -0.26 0.02 0.00 0.00 177.57 177.77 1qrk h PHE 317 N -0.98 0.55 -0.49 1.57 0.04 -0.65 -0.28 116.94 116.70 1qrk h PHE 317 Ca -0.05 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1qrk h PHE 317 Cb 0.50 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 1qrk h PHE 317 CO 0.03 -0.10 0.16 0.00 -0.60 0.00 0.00 178.31 177.81 1qrk h ALA 318 N 1.73 0.64 -0.11 2.45 0.00 -0.63 -1.05 119.26 122.29 1qrk h ALA 318 Ca 0.55 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1qrk h ALA 318 Cb 1.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1qrk h ALA 318 CO -0.56 0.29 0.03 0.78 0.00 0.00 0.00 179.25 179.78 1qrk h GLY 319 N 0.66 0.12 0.86 0.00 0.00 0.87 -2.14 103.07 103.44 1qrk h GLY 319 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 1qrk h GLY 319 CO -0.01 0.01 -0.17 -2.08 0.00 0.00 0.00 176.54 174.30 1qrk h VAL 320 N 0.08 0.68 -0.83 4.60 2.07 -1.21 -2.03 116.25 119.61 1qrk h VAL 320 Ca 0.05 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.39 1qrk h VAL 320 Cb 0.03 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1qrk h VAL 320 CO -0.06 0.06 0.54 0.15 0.02 0.00 0.00 177.57 178.28 1qrk h PHE 321 N -0.61 0.85 -0.62 1.57 3.57 -1.22 -0.10 116.94 120.37 1qrk h PHE 321 Ca -0.05 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 1qrk h PHE 321 Cb 0.45 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1qrk h PHE 321 CO -0.02 0.40 0.07 -0.97 -2.23 0.00 0.00 178.31 175.56 1qrk h ASN 322 N 0.79 1.01 -0.26 0.41 -1.24 -1.30 -1.53 115.58 113.46 1qrk h ASN 322 Ca 0.38 -0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1qrk h ASN 322 Cb 0.42 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1qrk h ASN 322 CO -0.15 1.04 0.17 0.74 -1.29 0.00 0.00 177.43 177.93 1qrk h THR 323 N 0.95 1.08 -0.23 -3.57 2.02 -0.32 -1.74 112.91 111.11 1qrk h THR 323 Ca 0.18 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1qrk h THR 323 Cb 0.48 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1qrk h THR 323 CO 0.02 0.08 -0.10 0.15 0.37 0.00 0.00 175.52 176.04 1qrk h PHE 324 N 0.34 -0.25 0.75 3.16 3.57 -0.85 -1.91 116.94 121.75 1qrk h PHE 324 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1qrk h PHE 324 Cb -0.01 0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.88 1qrk h PHE 324 CO -0.05 -0.16 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.44 1qrk h LEU 325 N -0.07 -0.86 -0.92 0.59 3.38 -1.09 -3.05 115.31 113.29 1qrk h LEU 325 Ca 0.12 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.24 1qrk h LEU 325 Cb 0.26 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 1qrk h LEU 325 CO -0.28 -0.55 0.53 0.03 0.09 0.00 0.00 178.44 178.27 1qrk h ARG 326 N -1.12 0.77 -0.13 1.13 3.08 -1.27 -0.64 114.38 116.19 1qrk h ARG 326 Ca -0.10 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1qrk h ARG 326 Cb 0.79 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1qrk h ARG 326 CO 0.17 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.58 1qrk h LEU 328 N 0.18 0.00 0.00 0.00 3.38 -1.05 -3.48 115.31 114.34 1qrk h LEU 328 Ca 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1qrk h LEU 328 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1qrk h LEU 328 CO 0.00 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1qrk n GLY 329 N 1.32 1.19 3.60 0.83 0.00 -0.35 -1.03 105.19 110.75 1qrk n GLY 329 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1qrk n GLY 329 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qrk s ILE 330 N -2.00 5.23 -0.42 -0.61 1.01 -0.75 -4.34 121.20 119.32 1qrk s ILE 330 Ca 0.00 0.43 -0.27 0.00 0.00 0.00 0.00 60.65 60.81 1qrk s ILE 330 Cb 0.00 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 1qrk s ILE 330 CO 0.00 0.20 2.29 -2.16 0.00 0.00 0.00 174.94 175.27 1qrk s PRO 331 N 1.91 2.47 0.26 2.79 0.04 -1.26 -3.37 135.00 137.84 1qrk s PRO 331 Ca 0.12 1.51 0.11 0.00 0.04 0.00 0.00 61.00 62.78 1qrk s PRO 331 Cb -0.16 -4.50 -0.05 0.00 0.04 0.00 0.00 34.50 29.84 1qrk s PRO 331 CO 0.10 -2.86 -0.18 0.00 0.04 0.00 0.00 177.00 174.10 1qrk s ALA 332 N 10.69 2.55 0.05 8.56 0.00 -1.14 -0.09 121.76 142.37 1qrk s ALA 332 Ca 0.95 -1.83 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 1qrk s ALA 332 Cb -0.21 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.77 1qrk s ALA 332 CO 0.28 0.20 0.49 -0.98 0.00 0.00 0.00 175.76 175.76 1qrk s ARG 333 N -3.56 1.01 0.14 0.00 1.70 -0.67 -4.72 118.95 112.84 1qrk s ARG 333 Ca 0.28 -0.27 -0.20 0.00 -0.47 0.00 0.00 55.73 55.07 1qrk s ARG 333 Cb -0.03 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.73 1qrk s ARG 333 CO 0.13 -0.36 0.64 0.42 -1.08 0.00 0.00 175.30 175.05 1qrk s ILE 334 N -2.46 4.64 -0.04 4.99 1.01 -1.26 -1.20 121.20 126.88 1qrk s ILE 334 Ca -0.05 1.26 0.04 0.00 0.00 0.00 0.00 60.65 61.90 1qrk s ILE 334 Cb -0.01 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.55 1qrk s ILE 334 CO -0.02 0.41 -0.17 -0.69 0.00 0.00 0.00 174.94 174.47 1qrk s VAL 335 N -1.28 1.40 -0.16 2.92 1.01 0.19 -4.60 120.40 119.88 1qrk s VAL 335 Ca 0.35 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1qrk s VAL 335 Cb -0.19 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1qrk s VAL 335 CO 0.21 0.40 -0.17 -0.89 0.00 0.00 0.00 175.10 174.65 1qrk s THR 336 N 0.01 2.44 -0.17 3.92 2.01 -0.46 0.03 115.64 123.42 1qrk s THR 336 Ca -0.03 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.08 1qrk s THR 336 Cb -0.11 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1qrk s THR 336 CO 0.02 0.52 0.01 0.21 -0.69 0.00 0.00 174.62 174.69 1qrk s ASN 337 N 0.95 5.12 -0.26 3.53 2.47 0.21 -0.28 114.94 126.68 1qrk s ASN 337 Ca -0.03 -0.06 -0.16 0.00 0.42 0.00 0.00 52.86 53.02 1qrk s ASN 337 Cb -0.15 -1.86 -0.03 0.00 -1.45 0.00 0.00 41.25 37.76 1qrk s ASN 337 CO -0.03 0.15 0.43 -0.31 -3.72 0.00 0.00 177.10 173.63 1qrk s TYR 338 N 0.48 3.26 -0.18 0.43 2.02 -0.06 -1.11 117.35 122.21 1qrk s TYR 338 Ca -0.01 0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 57.20 1qrk s TYR 338 Cb -0.14 -2.63 0.00 0.00 -0.40 0.00 0.00 41.96 38.79 1qrk s TYR 338 CO 0.02 -0.24 0.19 1.19 -1.57 0.00 0.00 175.55 175.14 1qrk n PHE 339 N 5.36 -0.92 -3.55 2.71 3.72 -0.29 -2.20 117.46 122.30 1qrk n PHE 339 Ca -0.07 0.36 -0.36 0.00 -0.05 0.00 0.00 57.45 57.33 1qrk n PHE 339 Cb 0.50 -2.25 -0.07 0.00 -0.94 0.00 0.00 39.48 36.72 1qrk n PHE 339 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1qrk s SER 340 N -1.96 6.41 -1.22 4.37 0.15 -0.46 0.20 113.70 121.19 1qrk s SER 340 Ca 0.03 0.47 -0.14 0.00 0.70 0.00 0.00 55.95 57.01 1qrk s SER 340 Cb -0.01 -2.17 0.17 0.00 -1.71 0.00 0.00 66.02 62.30 1qrk s SER 340 CO 0.22 0.10 1.46 0.00 1.20 0.00 0.00 173.24 176.21 1qrk n ALA 341 N 3.62 3.90 -1.88 5.45 0.00 -0.79 -1.10 120.51 129.70 1qrk n ALA 341 Ca -0.12 -4.23 -0.31 0.00 0.00 0.00 0.00 53.44 48.77 1qrk n ALA 341 Cb 0.52 -3.07 -0.01 0.00 0.00 0.00 0.00 19.45 16.89 1qrk n ALA 341 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1qrk s HIS 342 N 1.63 3.56 -1.34 0.00 5.04 -1.26 -3.99 115.29 118.92 1qrk s HIS 342 Ca 0.43 1.33 -0.02 0.00 -1.54 0.00 0.00 55.06 55.27 1qrk s HIS 342 Cb -0.02 -2.73 0.01 0.00 0.04 0.00 0.00 32.58 29.88 1qrk s HIS 342 CO 0.01 -0.54 0.73 -0.25 -2.34 0.00 0.00 174.74 172.35 1qrk n ASP 343 N -2.25 -1.61 0.17 9.88 8.00 -1.26 -4.90 116.55 124.59 1qrk n ASP 343 Ca 0.06 -0.82 0.12 0.00 0.71 0.00 0.00 54.79 54.86 1qrk n ASP 343 Cb 0.54 -4.01 0.17 0.00 -0.02 0.00 0.00 41.12 37.80 1qrk n ASP 343 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1qrk h ASN 344 N -1.90 0.00 -4.17 -2.24 7.08 -1.89 -3.47 115.58 108.98 1qrk h ASN 344 Ca -0.61 -0.01 -0.34 0.00 -3.08 0.00 0.00 56.30 52.26 1qrk h ASN 344 Cb 1.36 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.59 1qrk h ASN 344 CO 0.58 0.01 -0.47 -0.67 -2.08 0.00 0.00 177.43 174.80 1qrk n ASP 345 N -2.85 -4.66 -0.35 6.14 2.03 -1.26 -0.09 116.55 115.50 1qrk n ASP 345 Ca 0.03 -0.07 -0.05 0.00 0.52 0.00 0.00 54.79 55.23 1qrk n ASP 345 Cb 0.52 -3.88 -0.02 0.00 -0.72 0.00 0.00 41.12 37.02 1qrk n ASP 345 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qrk n ALA 346 N -2.73 -0.07 -2.31 -1.67 0.00 -1.26 -4.96 120.51 107.51 1qrk n ALA 346 Ca -0.13 0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.00 1qrk n ALA 346 Cb 0.61 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 1qrk n ALA 346 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1qrk s ASN 347 N -2.42 7.06 -0.24 0.00 0.01 0.87 -1.20 114.94 119.03 1qrk s ASN 347 Ca 0.00 1.26 0.12 0.00 -0.71 0.00 0.00 52.86 53.53 1qrk s ASN 347 Cb 0.00 -2.37 0.75 0.00 0.41 0.00 0.00 41.25 40.04 1qrk s ASN 347 CO 0.00 0.23 1.68 0.18 -1.51 0.00 0.00 177.10 177.68 1qrk n LEU 348 N 1.95 5.51 -3.83 0.60 4.77 0.13 -4.85 117.00 121.28 1qrk n LEU 348 Ca -0.09 -2.81 -0.14 0.00 -0.03 0.00 0.00 56.01 52.93 1qrk n LEU 348 Cb 0.51 -0.69 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 1qrk n LEU 348 CO 0.42 0.64 -0.36 -1.10 -1.33 0.00 0.00 177.39 175.66 1qrk s GLN 349 N -2.68 0.05 -0.21 3.23 -0.21 -1.26 -1.23 119.66 117.35 1qrk s GLN 349 Ca 0.51 0.07 -0.06 0.00 0.02 0.00 0.00 55.36 55.90 1qrk s GLN 349 Cb 0.39 -0.19 -0.03 0.00 1.00 0.00 0.00 33.01 34.18 1qrk s GLN 349 CO 0.14 -0.08 0.03 -1.64 -2.12 0.00 0.00 175.29 171.62 1qrk s MET 350 N 0.55 3.69 -0.17 2.91 -1.94 0.12 -4.92 119.30 119.55 1qrk s MET 350 Ca -0.05 -0.48 -0.17 0.00 -1.71 0.00 0.00 55.69 53.28 1qrk s MET 350 Cb -0.07 -3.15 -0.04 0.00 2.01 0.00 0.00 34.83 33.58 1qrk s MET 350 CO -0.01 0.02 0.43 -0.51 -0.01 0.00 0.00 175.02 174.94 1qrk s ASP 351 N 1.02 6.54 -0.24 3.03 1.01 -1.26 0.18 116.67 126.95 1qrk s ASP 351 Ca 0.03 0.65 -0.02 0.00 0.71 0.00 0.00 52.55 53.91 1qrk s ASP 351 Cb -0.14 -2.26 0.02 0.00 1.01 0.00 0.00 42.92 41.55 1qrk s ASP 351 CO 0.02 -0.05 -0.07 -0.63 0.21 0.00 0.00 175.17 174.66 1qrk s ILE 352 N 1.04 2.91 -0.60 0.77 -1.09 0.12 -4.70 121.20 119.65 1qrk s ILE 352 Ca 0.22 -0.92 -0.20 0.00 -2.23 0.00 0.00 60.65 57.52 1qrk s ILE 352 Cb -0.15 -2.43 0.09 0.00 -1.58 0.00 0.00 42.46 38.39 1qrk s ILE 352 CO 0.08 0.26 0.75 -0.36 -1.23 0.00 0.00 174.94 174.45 1qrk s PHE 353 N 1.35 2.94 0.36 3.97 0.08 -1.26 -1.44 117.98 123.98 1qrk s PHE 353 Ca 0.02 -0.86 -0.19 0.00 0.12 0.00 0.00 56.93 56.02 1qrk s PHE 353 Cb -0.16 -4.04 -0.10 0.00 -0.57 0.00 0.00 43.02 38.15 1qrk s PHE 353 CO -0.05 -1.35 0.84 -0.51 -0.10 0.00 0.00 175.22 174.06 1qrk s LEU 354 N 2.94 4.05 0.51 -0.37 1.02 -1.00 0.18 118.68 126.02 1qrk s LEU 354 Ca 0.14 1.51 0.01 0.00 0.02 0.00 0.00 54.13 55.80 1qrk s LEU 354 Cb -0.23 -4.24 0.02 0.00 0.02 0.00 0.00 46.19 41.77 1qrk s LEU 354 CO 0.07 -0.25 0.73 -1.61 0.02 0.00 0.00 176.35 175.32 1qrk s GLU 355 N -2.93 2.71 0.26 1.70 2.02 0.12 -2.50 118.70 120.09 1qrk s GLU 355 Ca 0.56 -0.71 -0.01 0.00 0.02 0.00 0.00 54.97 54.83 1qrk s GLU 355 Cb -0.11 -2.52 0.55 0.00 0.10 0.00 0.00 34.13 32.15 1qrk s GLU 355 CO 0.16 -0.56 1.73 0.93 0.02 0.00 0.00 175.26 177.54 1qrk h GLU 356 N 0.19 0.45 0.00 1.61 5.08 -1.88 0.24 114.58 120.27 1qrk h GLU 356 Ca -0.43 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1qrk h GLU 356 Cb 1.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1qrk h GLU 356 CO 0.53 0.30 0.00 -0.40 -1.00 0.00 0.00 179.01 178.44 1qrk n ASP 357 N -4.99 0.60 0.00 1.42 5.68 -1.26 -4.91 116.55 113.09 1qrk n ASP 357 Ca 0.17 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 55.03 1qrk n ASP 357 Cb 0.49 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1qrk n ASP 357 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qrk n GLY 358 N 1.07 1.16 3.78 6.12 0.00 0.84 -4.82 105.19 113.33 1qrk n GLY 358 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1qrk n GLY 358 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qrk s ASN 359 N -1.04 7.37 0.31 1.61 0.01 -1.26 -4.62 114.94 117.33 1qrk s ASN 359 Ca 0.00 1.80 -0.30 0.00 -0.71 0.00 0.00 52.86 53.65 1qrk s ASN 359 Cb 0.00 -2.56 -0.12 0.00 0.41 0.00 0.00 41.25 38.98 1qrk s ASN 359 CO 0.00 0.00 1.54 0.52 -1.51 0.00 0.00 177.10 177.65 1qrk n VAL 360 N 0.81 1.30 -3.28 1.60 0.31 -1.26 0.14 118.33 117.94 1qrk n VAL 360 Ca 0.00 -0.32 -0.40 0.00 -0.01 0.00 0.00 64.34 63.61 1qrk n VAL 360 Cb 0.50 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.44 1qrk n VAL 360 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1qrk s ASN 361 N 0.29 6.38 0.21 4.52 3.84 0.49 -4.77 114.94 125.89 1qrk s ASN 361 Ca 0.61 0.43 0.16 0.00 0.21 0.00 0.00 52.86 54.27 1qrk s ASN 361 Cb -0.51 -2.26 -0.01 0.00 -0.55 0.00 0.00 41.25 37.93 1qrk s ASN 361 CO 0.53 -0.27 1.23 0.77 -2.79 0.00 0.00 177.10 176.58 1qrk h SER 362 N 8.08 0.00 -0.00 -4.21 4.64 -1.88 -2.74 113.55 117.44 1qrk h SER 362 Ca -0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 1qrk h SER 362 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1qrk h SER 362 CO 0.70 0.52 -0.39 0.50 -0.87 0.00 0.00 176.83 177.29 1qrk h LYS 363 N 0.00 0.50 0.03 4.77 1.63 -1.95 -3.35 116.57 118.20 1qrk h LYS 363 Ca -0.05 -0.25 -0.37 0.00 -0.85 0.00 0.00 60.65 59.13 1qrk h LYS 363 Cb 1.44 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 33.02 1qrk h LYS 363 CO 0.06 0.81 -2.29 1.28 -3.45 0.00 0.00 179.45 175.86 1qrk n LEU 364 N -4.04 2.27 -4.55 5.20 4.32 -1.25 -4.80 117.00 114.15 1qrk n LEU 364 Ca -0.01 0.01 -0.38 0.00 -0.02 0.00 0.00 56.01 55.60 1qrk n LEU 364 Cb 0.50 -0.66 -0.03 0.00 -1.62 0.00 0.00 43.42 41.61 1qrk n LEU 364 CO 0.44 0.81 1.49 -0.89 -1.22 0.00 0.00 177.39 178.02 1qrk s THR 365 N -2.53 3.45 -0.19 -5.08 2.01 -1.03 -4.78 115.64 107.48 1qrk s THR 365 Ca -0.26 0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1qrk s THR 365 Cb 0.08 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.43 1qrk s THR 365 CO 0.69 -1.14 0.70 0.29 -0.69 0.00 0.00 174.62 174.47 1qrk n LYS 366 N 9.20 0.36 -4.60 4.92 4.76 -1.26 -4.84 118.16 126.69 1qrk n LYS 366 Ca 0.19 -0.90 -0.33 0.00 -2.87 0.00 0.00 58.31 54.40 1qrk n LYS 366 Cb 0.51 -1.04 -0.11 0.00 -1.84 0.00 0.00 35.03 32.55 1qrk n LYS 366 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1qrk s ASP 367 N -0.40 4.47 0.12 4.39 1.01 -1.26 -5.13 116.67 119.87 1qrk s ASP 367 Ca 0.02 -0.13 0.05 0.00 0.71 0.00 0.00 52.55 53.21 1qrk s ASP 367 Cb 0.02 -1.03 -0.04 0.00 1.01 0.00 0.00 42.92 42.87 1qrk s ASP 367 CO 0.02 0.32 -0.13 -0.94 0.21 0.00 0.00 175.17 174.65 1qrk s SER 368 N -1.10 1.90 -0.11 0.27 1.04 -1.26 -4.94 113.70 109.49 1qrk s SER 368 Ca 0.14 -0.83 -0.17 0.00 0.48 0.00 0.00 55.95 55.57 1qrk s SER 368 Cb -0.11 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1qrk s SER 368 CO 0.04 -0.18 0.43 0.68 0.98 0.00 0.00 173.24 175.19 1qrk s VAL 369 N -2.31 5.20 0.18 5.02 -7.23 -1.26 -4.60 120.40 115.40 1qrk s VAL 369 Ca 0.09 0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 60.82 1qrk s VAL 369 Cb -0.04 -3.76 -0.08 0.00 0.56 0.00 0.00 36.38 33.06 1qrk s VAL 369 CO 0.02 0.37 1.06 0.26 -0.31 0.00 0.00 175.10 176.50 1qrk s TRP 370 N 0.40 3.67 0.23 2.82 0.52 -0.26 -3.83 118.94 122.50 1qrk s TRP 370 Ca 0.24 1.68 -0.06 0.00 0.02 0.00 0.00 56.10 57.98 1qrk s TRP 370 Cb -0.15 -3.21 0.36 0.00 -1.15 0.00 0.00 33.47 29.32 1qrk s TRP 370 CO 0.09 -0.35 1.79 -0.91 0.02 0.00 0.00 176.95 177.60 1qrk h ASN 371 N 4.94 0.55 -5.04 2.95 2.35 -1.11 -1.19 115.58 119.04 1qrk h ASN 371 Ca -0.44 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.30 1qrk h ASN 371 Cb 1.21 -0.05 -0.15 0.00 0.05 0.00 0.00 38.32 39.38 1qrk h ASN 371 CO 0.71 0.31 -0.02 -0.72 -1.65 0.00 0.00 177.43 176.07 1qrk s TYR 372 N -6.05 -0.33 -0.08 1.19 1.13 -1.26 -1.13 117.35 110.82 1qrk s TYR 372 Ca -0.12 0.25 -0.06 0.00 -1.41 0.00 0.00 57.07 55.73 1qrk s TYR 372 Cb 0.18 0.30 0.03 0.00 -1.10 0.00 0.00 41.96 41.37 1qrk s TYR 372 CO 0.77 -0.65 0.20 -1.58 -2.51 0.00 0.00 175.55 171.78 1qrk s HIS 373 N -2.85 -0.23 -0.19 -3.49 2.46 -0.26 -4.87 115.29 105.86 1qrk s HIS 373 Ca -0.03 0.56 -0.04 0.00 0.47 0.00 0.00 55.06 56.02 1qrk s HIS 373 Cb -0.00 0.04 -0.02 0.00 -0.13 0.00 0.00 32.58 32.47 1qrk s HIS 373 CO -0.05 -0.14 -0.02 0.00 -2.47 0.00 0.00 174.74 172.06 1qrk s TRP 375 N 0.93 1.78 0.28 0.00 -2.14 0.11 -4.60 118.94 115.30 1qrk s TRP 375 Ca 0.00 -1.32 0.09 0.00 2.66 0.00 0.00 56.10 57.53 1qrk s TRP 375 Cb -0.14 -1.12 -0.04 0.00 -3.10 0.00 0.00 33.47 29.06 1qrk s TRP 375 CO 0.01 -0.35 0.06 -0.80 -2.66 0.00 0.00 176.95 173.22 1qrk s ASN 376 N -3.59 4.70 0.00 -2.66 -0.87 -0.57 0.56 114.94 112.51 1qrk s ASN 376 Ca 0.25 -0.63 0.05 0.00 -1.57 0.00 0.00 52.86 50.95 1qrk s ASN 376 Cb 0.02 -0.88 -0.01 0.00 -0.02 0.00 0.00 41.25 40.36 1qrk s ASN 376 CO 0.15 -0.09 -0.15 -1.61 -2.57 0.00 0.00 177.10 172.84 1qrk s GLU 377 N -3.74 1.13 0.10 -0.60 2.02 -0.34 -1.30 118.70 115.96 1qrk s GLU 377 Ca 0.33 -0.58 0.08 0.00 0.02 0.00 0.00 54.97 54.82 1qrk s GLU 377 Cb -0.05 -1.11 -0.03 0.00 0.10 0.00 0.00 34.13 33.04 1qrk s GLU 377 CO 0.21 0.30 -0.21 0.00 0.02 0.00 0.00 175.26 175.58 1qrk s ALA 378 N -0.46 1.80 -0.20 5.21 0.00 0.21 -1.68 121.76 126.64 1qrk s ALA 378 Ca 0.05 -1.22 -0.08 0.00 0.00 0.00 0.00 51.96 50.71 1qrk s ALA 378 Cb -0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1qrk s ALA 378 CO -0.00 0.37 0.08 -0.46 0.00 0.00 0.00 175.76 175.74 1qrk s TRP 379 N -1.12 3.22 0.14 0.00 -0.11 0.87 -0.11 118.94 121.83 1qrk s TRP 379 Ca 0.07 0.00 -0.24 0.00 1.22 0.00 0.00 56.10 57.15 1qrk s TRP 379 Cb -0.10 -2.13 0.08 0.00 -1.50 0.00 0.00 33.47 29.82 1qrk s TRP 379 CO 0.04 0.04 1.08 0.00 -4.62 0.00 0.00 176.95 173.49 1qrk s MET 380 N 0.71 1.11 0.20 5.86 0.23 -0.49 -4.45 119.30 122.46 1qrk s MET 380 Ca 0.04 -0.69 0.05 0.00 -1.03 0.00 0.00 55.69 54.06 1qrk s MET 380 Cb -0.13 0.32 -0.04 0.00 -1.53 0.00 0.00 34.83 33.46 1qrk s MET 380 CO 0.02 -0.52 0.21 0.95 -2.03 0.00 0.00 175.02 173.65 1qrk s THR 381 N -2.33 4.72 -0.65 3.16 -4.23 -1.14 0.17 115.64 115.34 1qrk s THR 381 Ca 0.21 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1qrk s THR 381 Cb -0.02 -3.48 0.16 0.00 1.34 0.00 0.00 72.50 70.50 1qrk s THR 381 CO 0.03 -0.21 0.43 -0.13 -0.54 0.00 0.00 174.62 174.20 1qrk s ARG 382 N -3.47 2.34 0.00 3.99 1.81 -1.26 -4.86 118.95 117.49 1qrk s ARG 382 Ca 0.33 -3.13 0.20 0.00 -1.72 0.00 0.00 55.73 51.40 1qrk s ARG 382 Cb -0.09 -3.41 1.16 0.00 -0.45 0.00 0.00 34.95 32.16 1qrk s ARG 382 CO 0.25 -1.23 1.60 -0.35 -0.68 0.00 0.00 175.30 174.89 1qrk n PRO 383 N 2.33 0.74 0.00 3.54 -0.04 -1.26 -2.36 135.00 137.95 1qrk n PRO 383 Ca 0.15 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1qrk n PRO 383 Cb 0.34 -1.41 0.10 0.00 -0.04 0.00 0.00 33.50 32.49 1qrk n PRO 383 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qrk n ASP 384 N -0.91 2.95 -4.39 3.54 5.75 -1.26 -4.96 116.55 117.27 1qrk n ASP 384 Ca 0.15 -1.97 -0.26 0.00 -0.01 0.00 0.00 54.79 52.69 1qrk n ASP 384 Cb 0.07 0.02 -0.09 0.00 -1.03 0.00 0.00 41.12 40.09 1qrk n ASP 384 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1qrk s LEU 385 N -2.02 2.18 0.99 -2.12 1.43 -0.99 -5.02 118.68 113.13 1qrk s LEU 385 Ca 0.28 -1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 51.68 1qrk s LEU 385 Cb 0.20 -0.38 0.18 0.00 0.03 0.00 0.00 46.19 46.22 1qrk s LEU 385 CO 0.31 -0.79 1.10 -2.84 0.23 0.00 0.00 176.35 174.36 1qrk s PRO 386 N -3.79 0.48 0.23 1.29 0.02 -1.26 -4.95 135.00 127.02 1qrk s PRO 386 Ca 0.24 0.47 -0.30 0.00 0.02 0.00 0.00 61.00 61.43 1qrk s PRO 386 Cb 0.05 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.72 1qrk s PRO 386 CO 0.12 -2.68 1.34 0.54 -0.33 0.00 0.00 177.00 175.99 1qrk s VAL 387 N -3.01 3.00 0.00 3.83 0.11 -1.26 -3.60 120.40 119.47 1qrk s VAL 387 Ca 0.65 0.85 0.00 0.00 -2.93 0.00 0.00 61.98 60.56 1qrk s VAL 387 Cb -0.18 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 1qrk s VAL 387 CO 0.57 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 173.09 1qrk n GLY 388 N 2.07 1.58 1.35 6.54 0.00 -1.26 -4.96 105.19 110.51 1qrk n GLY 388 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1qrk n GLY 388 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qrk n PHE 389 N -0.55 1.07 -2.10 1.61 3.72 -1.24 -4.93 117.46 115.04 1qrk n PHE 389 Ca 0.00 -0.49 -0.27 0.00 -0.05 0.00 0.00 57.45 56.64 1qrk n PHE 389 Cb 0.00 -0.06 0.07 0.00 -0.94 0.00 0.00 39.48 38.55 1qrk n PHE 389 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1qrk s GLY 390 N -0.96 1.65 0.00 1.37 0.00 -1.26 -4.63 107.32 103.49 1qrk s GLY 390 Ca 0.47 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1qrk s GLY 390 CO 0.29 -0.38 0.00 0.61 0.00 0.00 0.00 173.10 173.62 1qrk n GLY 391 N -3.05 0.33 3.74 0.20 0.00 0.46 -4.94 105.19 101.93 1qrk n GLY 391 Ca 0.08 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 1qrk n GLY 391 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qrk s TRP 392 N 0.00 3.10 -0.01 1.61 0.23 -1.26 -1.39 118.94 121.22 1qrk s TRP 392 Ca 0.00 1.06 0.07 0.00 -2.03 0.00 0.00 56.10 55.21 1qrk s TRP 392 Cb 0.00 -3.76 -0.02 0.00 0.03 0.00 0.00 33.47 29.73 1qrk s TRP 392 CO 0.00 -2.46 -0.24 -0.65 0.96 0.00 0.00 176.95 174.56 1qrk s GLN 393 N -0.18 1.93 -0.24 4.98 -1.52 0.84 -3.03 119.66 122.44 1qrk s GLN 393 Ca 0.59 -0.87 -0.14 0.00 -1.95 0.00 0.00 55.36 52.98 1qrk s GLN 393 Cb -0.40 -1.88 -0.04 0.00 -0.22 0.00 0.00 33.01 30.46 1qrk s GLN 393 CO 0.41 0.52 0.35 0.00 -0.25 0.00 0.00 175.29 176.31 1qrk s ALA 394 N -0.58 3.57 -0.08 6.09 0.00 0.10 -0.62 121.76 130.24 1qrk s ALA 394 Ca 0.09 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1qrk s ALA 394 Cb -0.09 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.44 1qrk s ALA 394 CO -0.01 -0.45 -0.03 0.08 0.00 0.00 0.00 175.76 175.35 1qrk s VAL 395 N 1.62 0.61 -0.41 0.00 1.01 -0.42 0.14 120.40 122.95 1qrk s VAL 395 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1qrk s VAL 395 Cb -0.15 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.64 1qrk s VAL 395 CO 0.08 0.29 0.21 -0.62 0.00 0.00 0.00 175.10 175.06 1qrk s ASP 396 N 1.68 5.33 0.00 3.32 -1.08 0.62 -1.52 116.67 125.04 1qrk s ASP 396 Ca 0.02 -1.87 0.14 0.00 -0.52 0.00 0.00 52.55 50.32 1qrk s ASP 396 Cb -0.13 -1.86 0.66 0.00 -1.46 0.00 0.00 42.92 40.13 1qrk s ASP 396 CO -0.05 -0.54 1.38 -1.54 0.52 0.00 0.00 175.17 174.94 1qrk n SER 397 N 4.68 0.00 -4.59 -0.34 3.41 -1.26 -1.06 113.62 114.47 1qrk n SER 397 Ca -0.05 0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.32 1qrk n SER 397 Cb 0.42 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 1qrk n SER 397 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1qrk s THR 398 N -2.67 4.66 0.85 6.66 2.01 -1.26 -4.57 115.64 121.32 1qrk s THR 398 Ca 0.11 0.94 -0.13 0.00 0.31 0.00 0.00 61.69 62.92 1qrk s THR 398 Cb 0.09 -4.28 0.08 0.00 0.01 0.00 0.00 72.50 68.41 1qrk s THR 398 CO 0.22 -0.52 1.01 -0.81 -0.69 0.00 0.00 174.62 173.83 1qrk n PRO 399 N 6.62 -0.05 -3.54 4.92 -0.04 -1.25 -4.67 135.00 136.99 1qrk n PRO 399 Ca 0.05 0.06 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1qrk n PRO 399 Cb 0.48 -2.29 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 1qrk n PRO 399 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1qrk s GLN 400 N -4.07 0.61 -0.03 0.54 -2.07 -0.61 -4.83 119.66 109.21 1qrk s GLN 400 Ca 0.69 -0.19 -0.30 0.00 -1.82 0.00 0.00 55.36 53.73 1qrk s GLN 400 Cb -0.27 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 31.88 1qrk s GLN 400 CO 0.56 -0.26 1.48 -1.21 -1.32 0.00 0.00 175.29 174.53 1qrk s GLU 401 N -2.67 4.24 0.00 9.60 0.41 -1.26 -1.08 118.70 127.93 1qrk s GLU 401 Ca 0.06 2.02 0.00 0.00 -0.41 0.00 0.00 54.97 56.64 1qrk s GLU 401 Cb -0.01 -3.72 0.00 0.00 -1.78 0.00 0.00 34.13 28.62 1qrk s GLU 401 CO -0.07 -0.69 0.00 0.27 -0.49 0.00 0.00 175.26 174.29 1qrk n ASN 402 N 6.07 0.67 -0.20 -0.19 0.23 -1.26 -4.43 115.26 116.15 1qrk n ASN 402 Ca 0.15 -0.58 0.06 0.00 -0.53 0.00 0.00 54.58 53.67 1qrk n ASN 402 Cb 0.43 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.47 1qrk n ASN 402 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1qrk h SER 403 N 0.00 0.70 1.34 0.53 4.64 -1.99 -1.95 113.55 116.82 1qrk h SER 403 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 1qrk h SER 403 Cb 0.00 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1qrk h SER 403 CO 0.00 0.45 -0.60 0.44 -0.87 0.00 0.00 176.83 176.26 1qrk h ASP 404 N 0.80 0.00 0.00 4.97 5.19 -1.96 -3.49 116.42 121.93 1qrk h ASP 404 Ca 0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1qrk h ASP 404 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1qrk h ASP 404 CO -0.11 0.60 0.00 0.61 -3.12 0.00 0.00 179.24 177.22 1qrk n GLY 405 N 1.17 0.68 2.14 2.75 0.00 -0.73 -4.98 105.19 106.21 1qrk n GLY 405 Ca 0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 1qrk n GLY 405 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1qrk n MET 406 N 0.00 -0.70 -2.56 1.61 0.00 -1.08 -4.84 117.12 109.55 1qrk n MET 406 Ca 0.00 1.01 -0.06 0.00 -0.00 0.00 0.00 57.70 58.65 1qrk n MET 406 Cb 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 33.22 29.90 1qrk n MET 406 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1qrk n TYR 407 N -1.05 -0.77 -1.73 1.12 4.01 -0.24 -4.60 117.16 113.89 1qrk n TYR 407 Ca 0.02 -0.94 -0.32 0.00 -0.16 0.00 0.00 57.90 56.49 1qrk n TYR 407 Cb 0.41 0.20 0.04 0.00 -0.31 0.00 0.00 39.34 39.69 1qrk n TYR 407 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1qrk s ARG 408 N -2.34 2.90 -0.16 -0.72 1.04 -1.26 -1.57 118.95 116.84 1qrk s ARG 408 Ca 0.12 1.21 0.01 0.00 -1.04 0.00 0.00 55.73 56.04 1qrk s ARG 408 Cb -0.00 -1.98 0.01 0.00 -2.04 0.00 0.00 34.95 30.94 1qrk s ARG 408 CO 0.09 -1.15 -0.19 0.00 -0.04 0.00 0.00 175.30 174.01 1qrk n GLY 410 N 4.29 0.81 3.64 0.00 0.00 -1.25 -0.27 105.19 112.40 1qrk n GLY 410 Ca -0.20 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.23 1qrk n GLY 410 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qrk s PRO 411 N -0.94 3.86 -0.18 1.61 0.04 -1.26 -4.77 135.00 133.36 1qrk s PRO 411 Ca 0.00 1.81 -0.05 0.00 0.04 0.00 0.00 61.00 62.80 1qrk s PRO 411 Cb 0.00 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.47 1qrk s PRO 411 CO 0.00 -1.23 0.00 0.00 0.04 0.00 0.00 177.00 175.82 1qrk s ALA 412 N 5.07 3.11 -0.17 8.56 0.00 0.12 -2.79 121.76 135.67 1qrk s ALA 412 Ca 0.73 -0.87 -0.32 0.00 0.00 0.00 0.00 51.96 51.50 1qrk s ALA 412 Cb -0.27 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.02 1qrk s ALA 412 CO 0.30 0.06 2.08 0.45 0.00 0.00 0.00 175.76 178.64 1qrk n SER 413 N 3.83 3.21 0.11 0.00 2.88 -1.26 0.03 113.62 122.42 1qrk n SER 413 Ca -0.17 0.59 0.09 0.00 -1.33 0.00 0.00 58.87 58.05 1qrk n SER 413 Cb 0.52 -1.43 0.57 0.00 -0.75 0.00 0.00 64.21 63.12 1qrk n SER 413 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1qrk h VAL 414 N 6.40 0.98 -0.67 2.46 2.07 -1.86 -1.72 116.25 123.91 1qrk h VAL 414 Ca -0.42 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1qrk h VAL 414 Cb 1.27 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1qrk h VAL 414 CO 0.97 0.04 0.13 1.56 0.02 0.00 0.00 177.57 180.28 1qrk h GLN 415 N 0.21 1.09 -0.32 1.57 1.08 -1.85 -0.80 115.11 116.09 1qrk h GLN 415 Ca 0.11 -0.28 -0.11 0.00 -1.45 0.00 0.00 58.65 56.92 1qrk h GLN 415 Cb 0.18 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1qrk h GLN 415 CO -0.02 0.99 -0.23 0.00 -0.95 0.00 0.00 178.83 178.62 1qrk h ALA 416 N 1.05 0.46 -0.60 3.87 0.00 -1.68 -2.89 119.26 119.48 1qrk h ALA 416 Ca 0.20 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1qrk h ALA 416 Cb 0.42 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1qrk h ALA 416 CO 0.01 0.43 0.18 0.82 0.00 0.00 0.00 179.25 180.69 1qrk h ILE 417 N 0.49 0.71 -0.64 0.00 1.08 -1.05 0.44 117.51 118.54 1qrk h ILE 417 Ca 0.06 -0.11 0.10 0.00 -0.39 0.00 0.00 64.86 64.52 1qrk h ILE 417 Cb 0.78 0.35 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 1qrk h ILE 417 CO 0.06 0.06 0.42 0.50 -0.69 0.00 0.00 178.15 178.51 1qrk h LYS 418 N 0.33 0.45 -0.11 2.37 3.64 -0.95 -2.20 116.57 120.10 1qrk h LYS 418 Ca 0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1qrk h LYS 418 Cb 0.42 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1qrk h LYS 418 CO -0.35 0.30 0.00 0.72 -2.27 0.00 0.00 179.45 177.85 1qrk n HIS 419 N -4.48 0.11 -0.96 1.91 8.25 0.12 -4.62 115.22 115.55 1qrk n HIS 419 Ca 0.10 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1qrk n HIS 419 Cb 0.37 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1qrk n HIS 419 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qrk n GLY 420 N 1.27 0.48 2.41 -1.41 0.00 0.75 -4.33 105.19 104.35 1qrk n GLY 420 Ca 0.14 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1qrk n GLY 420 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qrk n HIS 421 N -2.96 2.66 1.40 1.61 8.25 -0.87 -2.88 115.22 122.42 1qrk n HIS 421 Ca 0.00 -3.06 0.04 0.00 -0.26 0.00 0.00 57.72 54.44 1qrk n HIS 421 Cb 0.00 -2.50 0.21 0.00 1.12 0.00 0.00 29.99 28.82 1qrk n HIS 421 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1qrk n VAL 422 N 3.94 0.00 0.16 1.59 0.24 -1.26 -3.00 118.33 120.00 1qrk n VAL 422 Ca 0.72 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 63.06 1qrk n VAL 422 Cb 0.27 -0.31 0.15 0.00 -1.47 0.00 0.00 33.84 32.48 1qrk n VAL 422 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qrk s PHE 424 N -3.20 3.77 0.84 0.00 0.08 -1.16 -5.06 117.98 113.25 1qrk s PHE 424 Ca 0.02 1.48 -0.10 0.00 0.12 0.00 0.00 56.93 58.45 1qrk s PHE 424 Cb 0.09 -2.67 0.10 0.00 -0.57 0.00 0.00 43.02 39.97 1qrk s PHE 424 CO 0.72 0.43 1.11 1.14 -0.10 0.00 0.00 175.22 178.53 1qrk s GLN 425 N -1.55 1.63 -0.06 0.44 -2.07 -1.26 -4.39 119.66 112.40 1qrk s GLN 425 Ca 0.39 1.30 0.03 0.00 -1.82 0.00 0.00 55.36 55.26 1qrk s GLN 425 Cb -0.20 -1.82 -0.02 0.00 -1.09 0.00 0.00 33.01 29.89 1qrk s GLN 425 CO 0.23 -2.12 -0.15 -0.06 -1.32 0.00 0.00 175.29 171.87 1qrk s PHE 426 N -2.79 2.71 -0.80 9.60 0.40 -1.12 -4.64 117.98 121.34 1qrk s PHE 426 Ca 0.64 -0.27 -0.05 0.00 -0.60 0.00 0.00 56.93 56.65 1qrk s PHE 426 Cb -0.20 -1.67 0.04 0.00 0.51 0.00 0.00 43.02 41.71 1qrk s PHE 426 CO 0.57 0.09 0.18 -0.25 0.70 0.00 0.00 175.22 176.51 1qrk n ASP 427 N 2.57 -2.59 0.01 1.36 8.00 -1.26 -3.75 116.55 120.90 1qrk n ASP 427 Ca -0.17 0.02 0.04 0.00 0.71 0.00 0.00 54.79 55.39 1qrk n ASP 427 Cb 0.52 -2.24 0.43 0.00 -0.02 0.00 0.00 41.12 39.82 1qrk n ASP 427 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qrk h ALA 428 N 0.98 1.71 0.00 2.24 0.00 -1.81 -2.56 119.26 119.82 1qrk h ALA 428 Ca -0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1qrk h ALA 428 Cb 1.17 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1qrk h ALA 428 CO 0.32 0.26 -0.09 -1.35 0.00 0.00 0.00 179.25 178.39 1qrk h PRO 429 N 0.53 0.00 0.06 0.00 0.11 -1.89 -2.34 132.00 128.46 1qrk h PRO 429 Ca 0.14 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.98 1qrk h PRO 429 Cb -0.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 1qrk h PRO 429 CO -0.03 0.09 -1.39 0.74 -0.21 0.00 0.00 178.00 177.20 1qrk h PHE 430 N 0.00 0.22 0.00 0.65 0.04 -1.85 -2.88 116.94 113.12 1qrk h PHE 430 Ca -0.00 -0.16 -0.17 0.00 2.80 0.00 0.00 57.97 60.44 1qrk h PHE 430 Cb 0.44 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 1qrk h PHE 430 CO 0.00 1.18 -0.89 -0.39 -0.60 0.00 0.00 178.31 177.62 1qrk h VAL 431 N 0.03 1.18 0.07 -0.55 -1.51 -1.55 -2.85 116.25 111.06 1qrk h VAL 431 Ca -0.18 -2.73 -0.00 0.00 -1.23 0.00 0.00 66.70 62.56 1qrk h VAL 431 Cb 1.94 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 33.66 1qrk h VAL 431 CO 0.14 0.67 -0.03 0.15 -1.23 0.00 0.00 177.57 177.26 1qrk h PHE 432 N 0.00 -0.09 0.00 5.19 3.04 -1.52 -2.44 116.94 121.12 1qrk h PHE 432 Ca -0.04 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 1qrk h PHE 432 Cb 1.61 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 40.14 1qrk h PHE 432 CO 0.00 0.08 -0.09 0.00 -2.02 0.00 0.00 178.31 176.28 1qrk h ALA 433 N 0.68 1.65 -0.59 2.41 0.00 -1.55 -0.88 119.26 120.98 1qrk h ALA 433 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1qrk h ALA 433 Cb 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1qrk h ALA 433 CO 0.02 0.12 0.39 0.93 0.00 0.00 0.00 179.25 180.70 1qrk h GLU 434 N 0.00 0.73 0.00 0.00 4.39 -1.19 -2.98 114.58 115.53 1qrk h GLU 434 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1qrk h GLU 434 Cb 0.19 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1qrk h GLU 434 CO 0.01 0.48 -0.97 1.33 -1.16 0.00 0.00 179.01 178.70 1qrk n VAL 435 N -4.46 0.00 0.31 3.13 0.24 -0.74 -1.89 118.33 114.92 1qrk n VAL 435 Ca 0.06 -0.09 0.03 0.00 -2.04 0.00 0.00 64.34 62.30 1qrk n VAL 435 Cb 0.08 0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 33.34 1qrk n VAL 435 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1qrk n ASN 436 N -1.51 0.37 -4.22 -1.34 3.02 -0.41 -4.00 115.26 107.18 1qrk n ASN 436 Ca 0.03 -0.69 -0.34 0.00 -0.03 0.00 0.00 54.58 53.55 1qrk n ASN 436 Cb 0.31 0.95 0.09 0.00 -0.61 0.00 0.00 39.78 40.52 1qrk n ASN 436 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qrk n SER 437 N -1.08 -3.54 -4.38 6.41 7.64 -1.13 -5.00 113.62 112.54 1qrk n SER 437 Ca 0.01 0.18 -0.27 0.00 1.01 0.00 0.00 58.87 59.81 1qrk n SER 437 Cb 0.11 -0.95 -0.12 0.00 -1.01 0.00 0.00 64.21 62.23 1qrk n SER 437 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1qrk s ASP 438 N -1.55 3.18 -0.14 6.43 1.01 -0.37 -4.45 116.67 120.77 1qrk s ASP 438 Ca 0.49 -0.78 -0.11 0.00 0.71 0.00 0.00 52.55 52.86 1qrk s ASP 438 Cb -0.16 -0.21 -0.05 0.00 1.01 0.00 0.00 42.92 43.52 1qrk s ASP 438 CO 0.72 0.13 0.22 -0.76 0.21 0.00 0.00 175.17 175.70 1qrk s LEU 439 N -2.25 4.30 -0.18 1.23 1.43 -0.85 0.14 118.68 122.49 1qrk s LEU 439 Ca 0.15 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.70 1qrk s LEU 439 Cb -0.09 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 1qrk s LEU 439 CO 0.07 0.22 -0.08 -0.63 0.23 0.00 0.00 176.35 176.16 1qrk s ILE 440 N -0.10 3.20 -0.42 -0.59 -1.09 0.48 -0.78 121.20 121.91 1qrk s ILE 440 Ca 0.15 -0.57 -0.17 0.00 -2.23 0.00 0.00 60.65 57.82 1qrk s ILE 440 Cb -0.13 -2.41 0.02 0.00 -1.58 0.00 0.00 42.46 38.36 1qrk s ILE 440 CO 0.03 0.47 0.41 -0.31 -1.23 0.00 0.00 174.94 174.32 1qrk s TYR 441 N 1.01 3.18 -0.17 3.97 2.02 0.13 0.12 117.35 127.61 1qrk s TYR 441 Ca -0.00 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1qrk s TYR 441 Cb -0.15 -2.84 0.03 0.00 -0.40 0.00 0.00 41.96 38.60 1qrk s TYR 441 CO -0.01 -0.68 -0.12 0.42 -1.57 0.00 0.00 175.55 173.59 1qrk s ILE 442 N 2.06 1.60 -0.21 2.71 1.01 -0.52 0.15 121.20 127.99 1qrk s ILE 442 Ca 0.11 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.74 1qrk s ILE 442 Cb -0.17 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 1qrk s ILE 442 CO 0.13 0.33 0.74 0.28 0.00 0.00 0.00 174.94 176.43 1qrk s THR 443 N 1.45 4.92 -0.46 2.92 -1.32 0.16 -2.36 115.64 120.95 1qrk s THR 443 Ca 0.02 1.41 -0.19 0.00 -1.21 0.00 0.00 61.69 61.73 1qrk s THR 443 Cb -0.14 -4.05 0.04 0.00 -1.51 0.00 0.00 72.50 66.84 1qrk s THR 443 CO -0.10 0.02 0.55 0.00 -2.21 0.00 0.00 174.62 172.88 1qrk s ALA 444 N 2.32 3.41 0.48 11.08 0.00 -1.04 -1.53 121.76 136.47 1qrk s ALA 444 Ca 0.33 -1.60 -0.24 0.00 0.00 0.00 0.00 51.96 50.45 1qrk s ALA 444 Cb -0.16 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1qrk s ALA 444 CO 0.10 -1.81 1.41 0.15 0.00 0.00 0.00 175.76 175.61 1qrk s LYS 445 N 2.42 3.54 0.00 0.00 1.02 0.34 -4.58 119.74 122.48 1qrk s LYS 445 Ca 0.15 2.36 0.08 0.00 0.02 0.00 0.00 55.97 58.57 1qrk s LYS 445 Cb -0.18 -2.55 0.41 0.00 -0.52 0.00 0.00 37.83 34.99 1qrk s LYS 445 CO 0.13 -0.92 1.02 1.63 -0.92 0.00 0.00 175.35 176.30 1qrk n LYS 446 N -0.42 0.16 -0.35 1.68 5.02 -1.26 -0.30 118.16 122.69 1qrk n LYS 446 Ca 0.07 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1qrk n LYS 446 Cb 0.43 -1.50 0.31 0.00 -0.02 0.00 0.00 35.03 34.24 1qrk n LYS 446 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1qrk n ASP 447 N -1.17 3.89 -0.38 4.39 5.75 -1.26 -4.93 116.55 122.85 1qrk n ASP 447 Ca 0.04 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1qrk n ASP 447 Cb 0.05 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 1qrk n ASP 447 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qrk n GLY 448 N 1.63 0.95 3.53 6.12 0.00 0.59 -5.09 105.19 112.93 1qrk n GLY 448 Ca 0.24 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1qrk n GLY 448 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qrk s THR 449 N -2.76 1.38 0.07 2.61 2.01 -0.99 -4.93 115.64 113.02 1qrk s THR 449 Ca 0.00 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 60.02 1qrk s THR 449 Cb 0.00 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1qrk s THR 449 CO 0.00 0.00 -0.07 -1.00 -0.69 0.00 0.00 174.62 172.86 1qrk s HIS 450 N -3.07 0.77 -0.29 4.92 3.76 -1.26 0.13 115.29 120.24 1qrk s HIS 450 Ca 0.32 -0.72 -0.12 0.00 -0.15 0.00 0.00 55.06 54.39 1qrk s HIS 450 Cb 0.08 -0.45 0.11 0.00 1.11 0.00 0.00 32.58 33.43 1qrk s HIS 450 CO 0.15 -0.13 0.68 0.54 -0.85 0.00 0.00 174.74 175.13 1qrk s VAL 451 N -2.55 -0.60 -0.30 -0.90 0.11 -0.58 -4.92 120.40 110.66 1qrk s VAL 451 Ca 0.01 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.81 1qrk s VAL 451 Cb -0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1qrk s VAL 451 CO -0.02 0.00 0.87 0.68 -3.33 0.00 0.00 175.10 173.30 1qrk s VAL 452 N 2.40 4.73 0.02 2.04 -7.23 -1.26 0.39 120.40 121.49 1qrk s VAL 452 Ca -0.07 1.39 -0.06 0.00 -1.81 0.00 0.00 61.98 61.43 1qrk s VAL 452 Cb -0.09 -4.22 -0.29 0.00 0.56 0.00 0.00 36.38 32.34 1qrk s VAL 452 CO -0.19 -0.28 0.93 -0.33 -0.31 0.00 0.00 175.10 174.91 1qrk h GLU 453 N 8.03 0.30 -3.21 4.82 4.39 0.10 -3.48 114.58 125.55 1qrk h GLU 453 Ca -0.23 -0.52 0.03 0.00 0.34 0.00 0.00 59.36 58.97 1qrk h GLU 453 Cb 1.09 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.87 1qrk h GLU 453 CO 0.92 1.20 0.12 1.21 -1.16 0.00 0.00 179.01 181.31 1qrk s ASN 454 N -7.13 -0.19 -0.06 1.42 3.04 -0.74 -4.80 114.94 106.48 1qrk s ASN 454 Ca -0.08 -0.73 -0.03 0.00 0.04 0.00 0.00 52.86 52.05 1qrk s ASN 454 Cb 0.06 0.69 0.04 0.00 -1.54 0.00 0.00 41.25 40.50 1qrk s ASN 454 CO 0.87 -1.30 0.14 0.54 -3.04 0.00 0.00 177.10 174.32 1qrk s VAL 455 N -3.88 -0.04 -0.49 -5.21 0.11 -1.26 0.17 120.40 109.80 1qrk s VAL 455 Ca 0.15 0.16 -0.06 0.00 -2.93 0.00 0.00 61.98 59.30 1qrk s VAL 455 Cb -0.04 -0.23 0.13 0.00 -1.53 0.00 0.00 36.38 34.70 1qrk s VAL 455 CO 0.08 0.07 0.33 -0.62 -3.33 0.00 0.00 175.10 171.63 1qrk s ASP 456 N 1.06 5.52 0.24 3.54 -1.08 0.04 -4.90 116.67 121.10 1qrk s ASP 456 Ca -0.08 -2.14 0.26 0.00 -0.52 0.00 0.00 52.55 50.06 1qrk s ASP 456 Cb -0.11 -1.93 0.80 0.00 -1.46 0.00 0.00 42.92 40.22 1qrk s ASP 456 CO -0.05 -0.59 1.76 0.00 0.52 0.00 0.00 175.17 176.81 1qrk h ALA 457 N 8.05 1.00 -0.52 3.66 0.00 -1.90 -2.25 119.26 127.29 1qrk h ALA 457 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1qrk h ALA 457 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1qrk h ALA 457 CO 0.78 0.00 0.03 0.25 0.00 0.00 0.00 179.25 180.31 1qrk n THR 458 N -2.33 2.69 -0.09 0.00 -2.24 -1.26 -4.72 114.28 106.33 1qrk n THR 458 Ca 0.05 -1.57 -0.12 0.00 -2.27 0.00 0.00 64.05 60.15 1qrk n THR 458 Cb 0.41 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1qrk n THR 458 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1qrk n HIS 459 N 0.24 0.38 -2.08 4.78 -0.00 -1.26 -4.79 115.22 112.49 1qrk n HIS 459 Ca 0.28 0.17 -0.41 0.00 0.46 0.00 0.00 57.72 58.22 1qrk n HIS 459 Cb 1.16 -0.70 -0.02 0.00 -0.12 0.00 0.00 29.99 30.30 1qrk n HIS 459 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1qrk s ILE 460 N -2.60 2.72 -1.15 3.57 1.09 -1.26 -3.48 121.20 120.09 1qrk s ILE 460 Ca -0.26 0.68 -0.07 0.00 -1.10 0.00 0.00 60.65 59.90 1qrk s ILE 460 Cb 0.05 -3.43 0.01 0.00 -1.06 0.00 0.00 42.46 38.03 1qrk s ILE 460 CO 0.39 0.14 1.00 0.61 -0.10 0.00 0.00 174.94 176.98 1qrk n GLY 461 N 1.37 -0.33 0.21 6.18 0.00 0.13 -4.70 105.19 108.06 1qrk n GLY 461 Ca 0.03 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1qrk n GLY 461 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qrk h LYS 462 N -2.24 0.54 -2.67 1.61 3.64 -1.47 -3.44 116.57 112.53 1qrk h LYS 462 Ca -0.49 -0.32 -0.14 0.00 -1.27 0.00 0.00 60.65 58.42 1qrk h LYS 462 Cb 1.32 0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 32.87 1qrk h LYS 462 CO 0.48 0.92 -0.42 -1.17 -2.27 0.00 0.00 179.45 176.99 1qrk s LEU 463 N -8.37 -0.40 -0.10 5.20 0.20 -1.26 -5.02 118.68 108.93 1qrk s LEU 463 Ca -0.07 0.82 -0.01 0.00 0.69 0.00 0.00 54.13 55.57 1qrk s LEU 463 Cb 0.12 1.11 -0.03 0.00 -0.43 0.00 0.00 46.19 46.96 1qrk s LEU 463 CO 0.83 -0.23 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.96 1qrk s ILE 464 N 2.31 3.60 0.08 6.68 1.01 -1.26 -0.88 121.20 132.74 1qrk s ILE 464 Ca -0.02 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1qrk s ILE 464 Cb -0.11 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 1qrk s ILE 464 CO -0.11 0.55 0.15 0.54 0.00 0.00 0.00 174.94 176.07 1qrk s VAL 465 N -0.24 0.15 0.24 2.92 0.11 0.62 -2.65 120.40 121.54 1qrk s VAL 465 Ca 0.03 -1.27 -0.15 0.00 -2.93 0.00 0.00 61.98 57.66 1qrk s VAL 465 Cb -0.13 -1.33 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1qrk s VAL 465 CO 0.03 -0.70 0.53 0.28 -3.33 0.00 0.00 175.10 171.90 1qrk s THR 466 N -3.76 0.01 0.23 5.04 -1.32 -0.40 -1.36 115.64 114.08 1qrk s THR 466 Ca 0.04 -1.18 -0.30 0.00 -1.21 0.00 0.00 61.69 59.05 1qrk s THR 466 Cb 0.05 -2.00 -0.09 0.00 -1.51 0.00 0.00 72.50 68.95 1qrk s THR 466 CO -0.10 -0.04 1.30 -0.75 -2.21 0.00 0.00 174.62 172.81 1qrk s LYS 467 N -3.96 4.40 1.01 7.08 2.20 -1.26 0.13 119.74 129.33 1qrk s LYS 467 Ca 0.17 2.07 -0.14 0.00 -0.36 0.00 0.00 55.97 57.71 1qrk s LYS 467 Cb -0.02 -3.17 0.19 0.00 -1.51 0.00 0.00 37.83 33.32 1qrk s LYS 467 CO 0.05 -0.22 1.12 1.14 -0.36 0.00 0.00 175.35 177.09 1qrk s GLN 468 N -0.46 0.35 0.05 4.03 -2.07 -0.97 -4.71 119.66 115.88 1qrk s GLN 468 Ca 0.55 0.29 -0.10 0.00 -1.82 0.00 0.00 55.36 54.27 1qrk s GLN 468 Cb -0.37 -1.75 -0.32 0.00 -1.09 0.00 0.00 33.01 29.49 1qrk s GLN 468 CO 0.41 -2.73 1.07 0.82 -1.32 0.00 0.00 175.29 173.54 1qrk h ILE 469 N -1.89 1.39 0.00 3.63 2.04 -1.95 -3.41 117.51 117.32 1qrk h ILE 469 Ca -0.52 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 62.48 1qrk h ILE 469 Cb 1.32 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 40.38 1qrk h ILE 469 CO 0.55 0.85 0.00 0.61 0.00 0.00 0.00 178.15 180.15 1qrk n GLY 470 N 1.61 -1.80 0.00 5.37 0.00 -1.26 -4.89 105.19 104.22 1qrk n GLY 470 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1qrk n GLY 470 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qrk n GLY 471 N 0.41 4.34 0.39 -0.02 0.00 -1.26 -4.98 105.19 104.07 1qrk n GLY 471 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1qrk n GLY 471 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qrk n ASP 472 N 0.00 0.31 -2.80 1.61 8.00 -1.26 -4.15 116.55 118.25 1qrk n ASP 472 Ca 0.00 -0.79 -0.11 0.00 0.71 0.00 0.00 54.79 54.60 1qrk n ASP 472 Cb 0.00 -0.15 0.08 0.00 -0.02 0.00 0.00 41.12 41.03 1qrk n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qrk n GLY 473 N 0.21 -1.94 3.62 0.44 0.00 -1.26 -4.88 105.19 101.38 1qrk n GLY 473 Ca 0.00 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 1qrk n GLY 473 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qrk s MET 474 N -3.99 2.47 -0.10 1.61 1.75 -1.26 -2.29 119.30 117.50 1qrk s MET 474 Ca 0.27 -0.81 -0.00 0.00 -1.25 0.00 0.00 55.69 53.90 1qrk s MET 474 Cb -0.02 -2.48 0.02 0.00 2.84 0.00 0.00 34.83 35.20 1qrk s MET 474 CO 0.20 0.57 -0.06 1.41 -0.65 0.00 0.00 175.02 176.49 1qrk s MET 475 N -1.80 1.25 -0.56 4.11 0.00 0.34 -4.57 119.30 118.06 1qrk s MET 475 Ca 0.20 -0.15 -0.28 0.00 0.00 0.00 0.00 55.69 55.45 1qrk s MET 475 Cb -0.11 -1.37 0.03 0.00 0.00 0.00 0.00 34.83 33.37 1qrk s MET 475 CO 0.11 -0.25 1.21 0.34 0.00 0.00 0.00 175.02 176.43 1qrk s ASP 476 N 1.69 6.44 -0.24 1.11 -1.08 -1.26 -1.27 116.67 122.06 1qrk s ASP 476 Ca 0.03 0.19 0.13 0.00 -0.52 0.00 0.00 52.55 52.38 1qrk s ASP 476 Cb -0.13 -2.55 0.55 0.00 -1.46 0.00 0.00 42.92 39.33 1qrk s ASP 476 CO -0.06 -1.48 1.49 2.30 0.52 0.00 0.00 175.17 177.94 1qrk n ILE 477 N 6.73 2.48 -0.21 4.11 -5.35 -1.09 -4.66 119.36 121.36 1qrk n ILE 477 Ca 0.10 -2.14 -0.05 0.00 -0.27 0.00 0.00 62.75 60.39 1qrk n ILE 477 Cb 0.49 -0.30 0.05 0.00 -1.74 0.00 0.00 39.64 38.15 1qrk n ILE 477 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1qrk h THR 478 N 1.60 1.09 0.00 7.28 2.02 -1.87 -1.95 112.91 121.08 1qrk h THR 478 Ca 0.12 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1qrk h THR 478 Cb 1.66 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1qrk h THR 478 CO 0.36 0.14 0.10 -2.24 0.37 0.00 0.00 175.52 174.25 1qrk h ASP 479 N 0.76 0.00 0.74 4.18 3.04 -1.83 -2.01 116.42 121.30 1qrk h ASP 479 Ca 0.24 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.78 1qrk h ASP 479 Cb -0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1qrk h ASP 479 CO -0.09 0.00 -1.19 0.71 -2.04 0.00 0.00 179.24 176.63 1qrk h THR 480 N 0.00 1.53 0.00 1.15 1.35 -1.72 -3.31 112.91 111.92 1qrk h THR 480 Ca 0.00 -3.16 0.00 0.00 -0.55 0.00 0.00 66.41 62.70 1qrk h THR 480 Cb 0.21 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1qrk h THR 480 CO 0.00 0.91 -0.69 1.88 -0.25 0.00 0.00 175.52 177.36 1qrk h TYR 481 N 0.05 0.00 -2.64 4.73 -1.99 -1.49 -3.41 116.97 112.21 1qrk h TYR 481 Ca -0.10 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.56 1qrk h TYR 481 Cb 1.91 0.00 -0.17 0.00 2.00 0.00 0.00 36.73 40.46 1qrk h TYR 481 CO 0.04 0.00 0.03 -1.59 -0.00 0.00 0.00 178.16 176.64 1qrk s LYS 482 N -3.31 1.00 0.89 4.88 -2.85 -1.13 -3.58 119.74 115.64 1qrk s LYS 482 Ca 0.02 -0.13 -0.14 0.00 -1.00 0.00 0.00 55.97 54.73 1qrk s LYS 482 Cb 0.08 0.46 0.13 0.00 -2.06 0.00 0.00 37.83 36.45 1qrk s LYS 482 CO 0.75 -0.34 1.22 -0.06 0.10 0.00 0.00 175.35 177.02 1qrk s PHE 483 N -2.06 2.37 0.36 1.78 0.08 -1.26 -4.38 117.98 114.86 1qrk s PHE 483 Ca -0.07 0.61 -0.25 0.00 0.12 0.00 0.00 56.93 57.34 1qrk s PHE 483 Cb -0.01 -3.69 -0.09 0.00 -0.57 0.00 0.00 43.02 38.66 1qrk s PHE 483 CO 0.01 -2.21 1.01 1.14 -0.10 0.00 0.00 175.22 175.07 1qrk s GLN 484 N -5.64 4.38 0.35 0.44 -2.07 -1.26 -4.94 119.66 110.92 1qrk s GLN 484 Ca 0.66 1.46 -0.28 0.00 -1.82 0.00 0.00 55.36 55.38 1qrk s GLN 484 Cb -0.09 -2.70 -0.11 0.00 -1.09 0.00 0.00 33.01 29.02 1qrk s GLN 484 CO 0.51 0.06 1.40 -1.21 -1.32 0.00 0.00 175.29 174.73 1qrk s GLU 485 N -2.22 4.23 0.00 9.60 2.02 -1.26 -2.20 118.70 128.87 1qrk s GLU 485 Ca 0.53 2.39 0.00 0.00 0.02 0.00 0.00 54.97 57.92 1qrk s GLU 485 Cb -0.21 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1qrk s GLU 485 CO 0.27 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1qrk n GLY 486 N 0.67 2.91 3.74 -1.39 0.00 -1.26 -5.02 105.19 104.83 1qrk n GLY 486 Ca 0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1qrk n GLY 486 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qrk s GLN 487 N 0.00 4.15 0.50 1.61 -0.21 -0.94 -4.86 119.66 119.91 1qrk s GLN 487 Ca 0.00 2.53 0.18 0.00 0.02 0.00 0.00 55.36 58.09 1qrk s GLN 487 Cb 0.00 -3.05 1.23 0.00 1.00 0.00 0.00 33.01 32.18 1qrk s GLN 487 CO 0.00 -0.63 2.06 1.05 -2.12 0.00 0.00 175.29 175.65 1qrk h GLU 488 N 5.41 0.13 -0.22 2.91 9.09 -1.96 0.81 114.58 130.75 1qrk h GLU 488 Ca -0.46 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 58.92 1qrk h GLU 488 Cb 1.21 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 1qrk h GLU 488 CO 0.83 0.09 0.03 1.05 0.05 0.00 0.00 179.01 181.06 1qrk h GLU 489 N 0.13 0.31 0.15 1.06 9.09 -1.92 0.92 114.58 124.32 1qrk h GLU 489 Ca 0.15 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.51 1qrk h GLU 489 Cb 0.43 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1qrk h GLU 489 CO -0.02 0.31 -0.07 1.49 0.05 0.00 0.00 179.01 180.77 1qrk h GLU 490 N 0.31 -0.20 0.00 1.06 4.81 0.36 -0.97 114.58 119.95 1qrk h GLU 490 Ca 0.07 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1qrk h GLU 490 Cb 0.16 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1qrk h GLU 490 CO -0.00 0.16 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.23 1qrk h ARG 491 N -0.59 0.00 -0.10 1.92 2.43 -0.72 -2.37 114.38 114.95 1qrk h ARG 491 Ca -0.02 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1qrk h ARG 491 Cb 0.45 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1qrk h ARG 491 CO 0.03 0.11 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.11 1qrk h LEU 492 N 0.00 0.54 -1.29 3.80 3.38 0.11 -0.90 115.31 120.94 1qrk h LEU 492 Ca -0.00 -0.64 0.01 0.00 0.09 0.00 0.00 57.88 57.34 1qrk h LEU 492 Cb 0.26 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1qrk h LEU 492 CO 0.01 1.09 0.48 0.00 0.09 0.00 0.00 178.44 180.11 1qrk h ALA 493 N 0.46 1.49 -0.14 1.53 0.00 -0.72 0.16 119.26 122.04 1qrk h ALA 493 Ca -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1qrk h ALA 493 Cb 1.07 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1qrk h ALA 493 CO 0.09 0.48 -0.05 1.25 0.00 0.00 0.00 179.25 181.02 1qrk h LEU 494 N 0.98 0.28 -0.78 0.00 5.85 -1.37 0.40 115.31 120.68 1qrk h LEU 494 Ca 0.27 -0.39 0.12 0.00 0.84 0.00 0.00 57.88 58.72 1qrk h LEU 494 Cb -0.11 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 40.76 1qrk h LEU 494 CO -0.06 0.61 0.38 -0.08 -0.34 0.00 0.00 178.44 178.95 1qrk h GLU 495 N -0.04 0.58 0.11 1.25 4.57 -0.40 0.12 114.58 120.76 1qrk h GLU 495 Ca 0.03 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1qrk h GLU 495 Cb 0.49 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1qrk h GLU 495 CO 0.02 0.38 -0.06 1.15 -1.18 0.00 0.00 179.01 179.32 1qrk h THR 496 N 0.59 1.07 -0.37 0.32 2.02 -0.53 -3.04 112.91 112.97 1qrk h THR 496 Ca 0.41 -1.15 0.08 0.00 0.77 0.00 0.00 66.41 66.51 1qrk h THR 496 Cb 0.52 1.75 -0.08 0.00 -1.74 0.00 0.00 68.15 68.60 1qrk h THR 496 CO -0.33 0.26 -0.21 0.00 0.37 0.00 0.00 175.52 175.61 1qrk h ALA 497 N -0.00 0.04 -0.41 6.16 0.00 0.25 0.16 119.26 125.46 1qrk h ALA 497 Ca -0.02 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1qrk h ALA 497 Cb 0.54 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1qrk h ALA 497 CO 0.03 -0.59 0.42 -0.07 0.00 0.00 0.00 179.25 179.03 1qrk h LEU 498 N -0.15 0.00 -0.17 0.00 -0.00 -0.83 -1.04 115.31 113.11 1qrk h LEU 498 Ca 0.18 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.88 1qrk h LEU 498 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.07 1qrk h LEU 498 CO -0.46 0.00 -0.86 -0.03 -0.00 0.00 0.00 178.44 177.09 1qrk h MET 499 N 0.00 0.00 -0.33 1.13 4.05 -0.56 -3.37 114.93 115.85 1qrk h MET 499 Ca 0.19 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.44 1qrk h MET 499 Cb 1.03 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.72 1qrk h MET 499 CO -0.00 0.86 -0.14 0.66 0.23 0.00 0.00 176.91 178.52 1qrk n TYR 500 N -3.43 1.03 0.00 1.39 4.01 -0.44 -4.91 117.16 114.82 1qrk n TYR 500 Ca -0.00 -1.64 0.00 0.00 -0.16 0.00 0.00 57.90 56.10 1qrk n TYR 500 Cb 0.85 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1qrk n TYR 500 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qrk n GLY 501 N -1.12 0.74 3.84 2.72 0.00 -1.20 -4.58 105.19 105.58 1qrk n GLY 501 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 1qrk n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qrk s ALA 502 N -1.65 3.23 -0.09 4.61 0.00 -0.92 -4.90 121.76 122.03 1qrk s ALA 502 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.15 1qrk s ALA 502 Cb 0.00 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.23 1qrk s ALA 502 CO 0.00 0.26 -0.17 0.15 0.00 0.00 0.00 175.76 175.99 1qrk s LYS 503 N -3.06 2.37 -0.52 0.00 1.02 -0.34 -4.62 119.74 114.59 1qrk s LYS 503 Ca 0.57 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.97 1qrk s LYS 503 Cb -0.10 -1.90 0.17 0.00 -0.52 0.00 0.00 37.83 35.48 1qrk s LYS 503 CO 0.16 0.05 0.40 1.63 -0.92 0.00 0.00 175.35 176.67 1qrk n LYS 504 N 3.85 0.79 0.21 1.68 5.02 -1.26 0.20 118.16 128.65 1qrk n LYS 504 Ca -0.20 -3.65 0.05 0.00 -2.02 0.00 0.00 58.31 52.49 1qrk n LYS 504 Cb 0.52 -1.89 0.46 0.00 -0.02 0.00 0.00 35.03 34.10 1qrk n LYS 504 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1qrk h PRO 505 N 5.51 0.00 -5.21 1.97 0.13 -1.98 -3.44 132.00 128.98 1qrk h PRO 505 Ca 0.22 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.75 1qrk h PRO 505 Cb 0.85 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.85 1qrk h PRO 505 CO 0.50 0.29 -0.47 -0.51 -0.23 0.00 0.00 178.00 177.57 1qrk s LEU 506 N -7.93 4.17 -0.35 1.56 1.43 -1.26 -5.02 118.68 111.27 1qrk s LEU 506 Ca -0.03 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 1qrk s LEU 506 Cb 0.14 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1qrk s LEU 506 CO 0.69 0.11 1.64 0.21 0.23 0.00 0.00 176.35 179.23 1qrk s ASN 507 N 0.70 6.11 -0.98 2.29 3.84 -1.26 -4.92 114.94 120.73 1qrk s ASN 507 Ca 0.09 1.16 -0.09 0.00 0.21 0.00 0.00 52.86 54.23 1qrk s ASN 507 Cb -0.12 -2.53 0.25 0.00 -0.55 0.00 0.00 41.25 38.29 1qrk s ASN 507 CO 0.02 -1.56 0.93 0.42 -2.79 0.00 0.00 177.10 174.12 1qrk s THR 508 N 6.17 5.50 0.00 -5.21 -4.23 -1.26 -4.95 115.64 111.65 1qrk s THR 508 Ca 0.72 -3.24 0.00 0.00 -1.18 0.00 0.00 61.69 57.99 1qrk s THR 508 Cb -0.19 -4.35 0.00 0.00 1.34 0.00 0.00 72.50 69.30 1qrk s THR 508 CO 0.33 -1.11 0.00 -0.62 -0.54 0.00 0.00 174.62 172.68 1qrk n GLU 509 N 3.00 0.00 -2.22 3.99 1.02 -1.26 -4.62 120.64 120.54 1qrk n GLU 509 Ca 0.20 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.96 1qrk n GLU 509 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.80 1qrk n GLU 509 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qrk n GLY 510 N 3.32 2.17 2.80 0.62 0.00 -1.26 -5.23 105.19 107.61 1qrk n GLY 510 Ca 0.00 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 1qrk n GLY 510 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qrk s VAL 511 N 6.68 -0.42 -0.56 1.61 -7.23 -1.26 -5.06 120.40 114.16 1qrk s VAL 511 Ca 0.59 -0.12 0.07 0.00 -1.81 0.00 0.00 61.98 60.71 1qrk s VAL 511 Cb 0.04 -0.74 0.27 0.00 0.56 0.00 0.00 36.38 36.51 1qrk s VAL 511 CO 0.09 -0.19 0.73 0.59 -0.31 0.00 0.00 175.10 176.01 1qrk n ASN 517 N 5.33 2.91 -4.55 4.85 4.13 -1.26 -4.98 115.26 121.69 1qrk n ASN 517 Ca -0.05 -3.29 -0.34 0.00 1.68 0.00 0.00 54.58 52.58 1qrk n ASN 517 Cb 0.50 -0.64 -0.12 0.00 -1.54 0.00 0.00 39.78 37.98 1qrk n ASN 517 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1qrk s VAL 518 N -2.52 3.87 -0.35 2.41 1.01 -1.26 -2.09 120.40 121.48 1qrk s VAL 518 Ca 0.40 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1qrk s VAL 518 Cb 0.19 -2.65 0.06 0.00 0.00 0.00 0.00 36.38 33.98 1qrk s VAL 518 CO -0.06 0.54 0.10 -1.81 0.00 0.00 0.00 175.10 173.87 1qrk s ASP 519 N -0.16 5.19 0.08 3.32 1.11 0.78 -4.96 116.67 122.02 1qrk s ASP 519 Ca 0.03 -1.37 0.04 0.00 0.18 0.00 0.00 52.55 51.42 1qrk s ASP 519 Cb -0.13 -1.82 -0.04 0.00 1.07 0.00 0.00 42.92 42.00 1qrk s ASP 519 CO 0.02 -0.36 0.04 -0.32 1.18 0.00 0.00 175.17 175.73 1qrk s MET 520 N 1.31 2.72 -0.19 8.23 1.75 -1.26 -0.61 119.30 131.25 1qrk s MET 520 Ca -0.01 -0.75 -0.29 0.00 -1.25 0.00 0.00 55.69 53.39 1qrk s MET 520 Cb -0.20 -2.64 0.12 0.00 2.84 0.00 0.00 34.83 34.95 1qrk s MET 520 CO 0.00 0.56 1.00 0.34 -0.65 0.00 0.00 175.02 176.27 1qrk s ASP 521 N -2.29 -0.40 0.21 1.11 2.15 -1.02 -5.02 116.67 111.40 1qrk s ASP 521 Ca 0.27 0.54 0.04 0.00 0.43 0.00 0.00 52.55 53.83 1qrk s ASP 521 Cb -0.12 0.47 -0.05 0.00 -0.30 0.00 0.00 42.92 42.92 1qrk s ASP 521 CO 0.19 -0.30 -0.04 0.72 -0.17 0.00 0.00 175.17 175.57 1qrk s PHE 522 N -0.74 1.52 -0.03 -5.34 -0.12 -1.26 -0.43 117.98 111.58 1qrk s PHE 522 Ca -0.01 -0.84 -0.05 0.00 -0.05 0.00 0.00 56.93 55.98 1qrk s PHE 522 Cb -0.02 -0.84 0.01 0.00 -0.63 0.00 0.00 43.02 41.54 1qrk s PHE 522 CO -0.00 0.04 0.13 -1.83 -0.05 0.00 0.00 175.22 173.51 1qrk s GLU 523 N -3.81 0.30 -0.08 1.99 -1.05 -0.25 -5.01 118.70 110.80 1qrk s GLU 523 Ca 0.25 -0.10 0.02 0.00 -0.15 0.00 0.00 54.97 55.00 1qrk s GLU 523 Cb 0.04 0.13 -0.02 0.00 -0.44 0.00 0.00 34.13 33.84 1qrk s GLU 523 CO 0.07 -0.06 -0.14 0.08 0.95 0.00 0.00 175.26 176.15 1qrk s VAL 524 N -0.61 3.03 -0.09 1.83 1.01 -1.26 -1.06 120.40 123.25 1qrk s VAL 524 Ca -0.07 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 1qrk s VAL 524 Cb -0.04 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1qrk s VAL 524 CO 0.01 0.57 0.53 -1.83 0.00 0.00 0.00 175.10 174.37 1qrk s GLU 525 N -0.34 4.34 0.23 2.72 -1.05 -0.85 -5.02 118.70 118.73 1qrk s GLU 525 Ca 0.03 0.56 -0.30 0.00 -0.15 0.00 0.00 54.97 55.11 1qrk s GLU 525 Cb -0.13 -3.42 -0.09 0.00 -0.44 0.00 0.00 34.13 30.06 1qrk s GLU 525 CO 0.02 0.18 1.11 1.21 0.95 0.00 0.00 175.26 178.74 1qrk s ASN 526 N 0.52 7.24 0.44 0.83 2.47 -1.26 -4.60 114.94 120.59 1qrk s ASN 526 Ca 0.29 2.21 0.03 0.00 0.42 0.00 0.00 52.86 55.81 1qrk s ASN 526 Cb -0.16 -2.62 -0.02 0.00 -1.45 0.00 0.00 41.25 37.01 1qrk s ASN 526 CO 0.13 -0.20 0.11 0.00 -3.72 0.00 0.00 177.10 173.42 1qrk s ALA 527 N -0.70 3.25 0.33 1.71 0.00 -1.26 -5.04 121.76 120.05 1qrk s ALA 527 Ca 0.47 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 1qrk s ALA 527 Cb -0.31 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1qrk s ALA 527 CO 0.38 -0.27 0.57 0.08 0.00 0.00 0.00 175.76 176.53 1qrk s VAL 528 N -3.12 5.04 0.23 0.00 1.01 -1.26 -1.39 120.40 120.91 1qrk s VAL 528 Ca 0.18 -0.11 -0.32 0.00 0.00 0.00 0.00 61.98 61.74 1qrk s VAL 528 Cb 0.02 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 1qrk s VAL 528 CO 0.12 -0.46 1.64 -0.11 0.00 0.00 0.00 175.10 176.30 1qrk n LEU 529 N -1.36 3.93 0.00 3.92 -0.00 -0.22 -2.07 117.00 121.20 1qrk n LEU 529 Ca -0.03 1.10 0.00 0.00 -0.00 0.00 0.00 56.01 57.08 1qrk n LEU 529 Cb 0.55 -1.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 1qrk n LEU 529 CO 0.49 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.56 1qrk n GLY 530 N 3.21 1.03 3.75 -3.96 0.00 -1.26 -5.03 105.19 102.93 1qrk n GLY 530 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1qrk n GLY 530 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qrk s LYS 531 N -0.49 2.38 0.27 1.61 1.02 -0.88 -4.83 119.74 118.82 1qrk s LYS 531 Ca 0.00 -1.57 -0.06 0.00 0.02 0.00 0.00 55.97 54.35 1qrk s LYS 531 Cb 0.00 -2.18 -0.06 0.00 -0.52 0.00 0.00 37.83 35.08 1qrk s LYS 531 CO 0.00 0.06 0.55 -0.51 -0.92 0.00 0.00 175.35 174.53 1qrk s ASP 532 N -3.88 6.50 0.06 2.83 1.11 -1.26 -4.31 116.67 117.73 1qrk s ASP 532 Ca 0.39 0.77 -0.10 0.00 0.18 0.00 0.00 52.55 53.79 1qrk s ASP 532 Cb -0.02 -2.17 0.01 0.00 1.07 0.00 0.00 42.92 41.81 1qrk s ASP 532 CO 0.23 -0.15 0.22 0.72 1.18 0.00 0.00 175.17 177.37 1qrk s PHE 533 N -1.99 0.06 0.25 4.23 -0.12 -0.64 -4.92 117.98 114.85 1qrk s PHE 533 Ca 0.45 -0.36 0.03 0.00 -0.05 0.00 0.00 56.93 57.00 1qrk s PHE 533 Cb -0.11 -0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.24 1qrk s PHE 533 CO 0.27 -0.50 0.40 0.15 -0.05 0.00 0.00 175.22 175.49 1qrk s LYS 534 N -3.14 3.46 -0.30 1.99 1.02 -1.26 0.02 119.74 121.53 1qrk s LYS 534 Ca -0.01 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 1qrk s LYS 534 Cb 0.02 -2.84 0.13 0.00 -0.52 0.00 0.00 37.83 34.61 1qrk s LYS 534 CO -0.07 0.38 0.28 -1.17 -0.92 0.00 0.00 175.35 173.84 1qrk s LEU 535 N -3.92 -0.07 0.31 3.17 0.20 -0.69 -2.02 118.68 115.67 1qrk s LEU 535 Ca 0.36 -0.96 -0.09 0.00 0.69 0.00 0.00 54.13 54.13 1qrk s LEU 535 Cb -0.10 0.36 -0.07 0.00 -0.43 0.00 0.00 46.19 45.96 1qrk s LEU 535 CO 0.30 -0.38 0.64 -0.44 -0.29 0.00 0.00 176.35 176.18 1qrk s SER 536 N 2.20 6.56 -0.07 3.68 0.01 -0.22 -1.93 113.70 123.92 1qrk s SER 536 Ca 0.10 0.97 0.04 0.00 1.31 0.00 0.00 55.95 58.38 1qrk s SER 536 Cb -0.15 -2.25 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1qrk s SER 536 CO -0.30 -0.22 -0.22 -0.63 0.41 0.00 0.00 173.24 172.28 1qrk s ILE 537 N -2.08 1.85 0.02 1.44 1.01 0.42 -1.09 121.20 122.76 1qrk s ILE 537 Ca 0.48 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1qrk s ILE 537 Cb -0.11 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1qrk s ILE 537 CO 0.26 0.51 -0.15 0.42 0.00 0.00 0.00 174.94 175.99 1qrk s THR 538 N 0.18 3.04 -0.19 2.92 -4.23 0.43 -0.82 115.64 116.97 1qrk s THR 538 Ca -0.12 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.35 1qrk s THR 538 Cb -0.15 -2.28 0.06 0.00 1.34 0.00 0.00 72.50 71.46 1qrk s THR 538 CO 0.06 0.38 0.02 -0.36 -0.54 0.00 0.00 174.62 174.17 1qrk s PHE 539 N -0.92 1.24 -0.11 3.99 0.08 0.04 -2.44 117.98 119.85 1qrk s PHE 539 Ca 0.15 -0.96 -0.05 0.00 0.12 0.00 0.00 56.93 56.19 1qrk s PHE 539 Cb -0.11 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1qrk s PHE 539 CO 0.05 -0.62 0.09 0.50 -0.10 0.00 0.00 175.22 175.14 1qrk s ARG 540 N 1.79 3.33 -0.33 0.44 3.52 0.21 -1.65 118.95 126.26 1qrk s ARG 540 Ca -0.01 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 1qrk s ARG 540 Cb -0.17 -3.06 0.10 0.00 -1.56 0.00 0.00 34.95 30.27 1qrk s ARG 540 CO -0.08 0.71 0.10 1.21 -0.81 0.00 0.00 175.30 176.44 1qrk s ASN 541 N -0.86 4.18 0.29 -2.12 3.84 -0.25 -0.16 114.94 119.86 1qrk s ASN 541 Ca 0.13 -1.87 0.25 0.00 0.21 0.00 0.00 52.86 51.59 1qrk s ASN 541 Cb -0.12 -1.07 0.70 0.00 -0.55 0.00 0.00 41.25 40.21 1qrk s ASN 541 CO 0.03 -0.39 1.73 0.78 -2.79 0.00 0.00 177.10 176.46 1qrk h ASN 542 N 7.83 0.00 -4.28 -4.21 2.35 -1.71 -0.52 115.58 115.03 1qrk h ASN 542 Ca -0.10 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.14 1qrk h ASN 542 Cb 1.01 0.00 0.11 0.00 0.05 0.00 0.00 38.32 39.49 1qrk h ASN 542 CO 0.49 0.00 0.35 -0.94 -1.65 0.00 0.00 177.43 175.67 1qrk s SER 543 N -5.05 4.98 -0.23 5.81 1.04 -1.26 -4.61 113.70 114.38 1qrk s SER 543 Ca 0.09 1.81 -0.02 0.00 0.48 0.00 0.00 55.95 58.31 1qrk s SER 543 Cb 0.10 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.79 1qrk s SER 543 CO 0.61 -1.72 2.26 1.41 0.98 0.00 0.00 173.24 176.78 1qrk n HIS 544 N -3.05 1.01 -3.50 5.02 8.25 -1.26 -2.22 115.22 119.48 1qrk n HIS 544 Ca 0.09 -1.67 -0.11 0.00 -0.26 0.00 0.00 57.72 55.76 1qrk n HIS 544 Cb 0.53 -0.95 -0.02 0.00 1.12 0.00 0.00 29.99 30.66 1qrk n HIS 544 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1qrk s ASN 545 N 0.83 -0.50 0.29 0.41 4.22 -1.26 -4.89 114.94 114.04 1qrk s ASN 545 Ca 0.30 -0.11 0.02 0.00 -2.14 0.00 0.00 52.86 50.93 1qrk s ASN 545 Cb 0.21 0.61 -0.03 0.00 1.28 0.00 0.00 41.25 43.31 1qrk s ASN 545 CO -0.03 -1.01 0.46 0.00 -2.04 0.00 0.00 177.10 174.47 1qrk s ARG 546 N -3.78 3.47 0.32 3.55 1.70 -1.26 -3.59 118.95 119.37 1qrk s ARG 546 Ca 0.03 -0.49 0.04 0.00 -0.47 0.00 0.00 55.73 54.83 1qrk s ARG 546 Cb -0.01 -2.77 -0.03 0.00 -0.57 0.00 0.00 34.95 31.56 1qrk s ARG 546 CO -0.10 0.29 0.18 0.71 -1.08 0.00 0.00 175.30 175.29 1qrk s TYR 547 N -2.13 1.63 -0.31 5.89 2.02 -0.24 -4.96 117.35 119.24 1qrk s TYR 547 Ca 0.37 -1.42 -0.00 0.00 -0.37 0.00 0.00 57.07 55.65 1qrk s TYR 547 Cb -0.10 -0.85 0.10 0.00 -0.40 0.00 0.00 41.96 40.71 1qrk s TYR 547 CO 0.32 -0.57 0.10 0.99 -1.57 0.00 0.00 175.55 174.82 1qrk s THR 548 N -3.55 0.97 0.17 -0.71 2.01 -1.26 -1.71 115.64 111.55 1qrk s THR 548 Ca 0.35 -1.47 -0.01 0.00 0.31 0.00 0.00 61.69 60.87 1qrk s THR 548 Cb 0.04 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1qrk s THR 548 CO 0.19 -0.68 0.36 -0.63 -0.69 0.00 0.00 174.62 173.17 1qrk s ILE 549 N 1.56 5.22 -0.10 1.82 1.01 0.18 -1.19 121.20 129.70 1qrk s ILE 549 Ca 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1qrk s ILE 549 Cb -0.17 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.63 1qrk s ILE 549 CO -0.24 -0.08 -0.03 -0.89 0.00 0.00 0.00 174.94 173.70 1qrk s THR 550 N -1.77 0.66 0.44 2.92 2.01 -0.79 -1.68 115.64 117.43 1qrk s THR 550 Ca 0.38 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.34 1qrk s THR 550 Cb -0.11 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1qrk s THR 550 CO 0.28 0.26 0.31 0.00 -0.69 0.00 0.00 174.62 174.78 1qrk s ALA 551 N 1.85 3.97 -0.19 7.40 0.00 -0.47 -1.22 121.76 133.11 1qrk s ALA 551 Ca 0.04 -1.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.03 1qrk s ALA 551 Cb -0.13 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.31 1qrk s ALA 551 CO -0.07 -0.25 0.48 0.71 0.00 0.00 0.00 175.76 176.63 1qrk s TYR 552 N -2.58 -0.61 -0.04 0.00 2.02 -0.69 -1.20 117.35 114.24 1qrk s TYR 552 Ca 0.43 1.37 0.06 0.00 -0.37 0.00 0.00 57.07 58.56 1qrk s TYR 552 Cb -0.00 0.26 -0.02 0.00 -0.40 0.00 0.00 41.96 41.79 1qrk s TYR 552 CO 0.25 -0.31 -0.21 -1.17 -1.57 0.00 0.00 175.55 172.53 1qrk s LEU 553 N 0.79 2.33 -0.13 -1.29 0.20 0.19 -2.35 118.68 118.42 1qrk s LEU 553 Ca -0.04 -0.37 -0.04 0.00 0.69 0.00 0.00 54.13 54.37 1qrk s LEU 553 Cb -0.05 -1.44 0.06 0.00 -0.43 0.00 0.00 46.19 44.33 1qrk s LEU 553 CO -0.06 0.31 0.13 -0.55 -0.29 0.00 0.00 176.35 175.89 1qrk s SER 554 N -0.52 1.49 -0.17 3.68 0.15 -0.44 -0.58 113.70 117.31 1qrk s SER 554 Ca 0.07 -0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.53 1qrk s SER 554 Cb -0.11 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.23 1qrk s SER 554 CO 0.01 -0.30 -0.03 0.00 1.20 0.00 0.00 173.24 174.12 1qrk s ALA 555 N 2.23 3.00 0.28 5.45 0.00 0.10 -1.19 121.76 131.62 1qrk s ALA 555 Ca 0.04 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.20 1qrk s ALA 555 Cb -0.14 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 1qrk s ALA 555 CO -0.08 0.09 -0.10 -0.80 0.00 0.00 0.00 175.76 174.87 1qrk s ASN 556 N 0.58 3.03 -0.20 0.00 0.01 0.13 -0.99 114.94 117.50 1qrk s ASN 556 Ca -0.02 -1.14 -0.06 0.00 -0.71 0.00 0.00 52.86 50.93 1qrk s ASN 556 Cb -0.14 -0.22 -0.03 0.00 0.41 0.00 0.00 41.25 41.27 1qrk s ASN 556 CO 0.02 -0.23 0.04 -0.63 -1.51 0.00 0.00 177.10 174.80 1qrk s ILE 557 N -2.85 4.39 0.18 0.60 1.01 0.11 -1.29 121.20 123.34 1qrk s ILE 557 Ca 0.29 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1qrk s ILE 557 Cb 0.01 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 1qrk s ILE 557 CO 0.12 0.43 -0.04 0.42 0.00 0.00 0.00 174.94 175.87 1qrk s THR 558 N 0.80 1.01 0.81 2.92 -4.23 -1.24 0.65 115.64 116.35 1qrk s THR 558 Ca 0.02 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 1qrk s THR 558 Cb -0.14 -2.09 0.08 0.00 1.34 0.00 0.00 72.50 71.69 1qrk s THR 558 CO 0.02 -0.53 1.17 -0.36 -0.54 0.00 0.00 174.62 174.38 1qrk s PHE 559 N -3.44 2.96 0.43 3.99 0.40 -0.63 -4.20 117.98 117.50 1qrk s PHE 559 Ca 0.23 0.79 0.36 0.00 -0.60 0.00 0.00 56.93 57.70 1qrk s PHE 559 Cb 0.05 -3.45 1.82 0.00 0.51 0.00 0.00 43.02 41.95 1qrk s PHE 559 CO 0.04 -1.76 2.17 0.10 0.70 0.00 0.00 175.22 176.48 1qrk h TYR 560 N -1.05 0.00 0.00 0.36 -0.00 -1.97 0.37 116.97 114.69 1qrk h TYR 560 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 1qrk h TYR 560 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.05 1qrk h TYR 560 CO 0.33 0.04 0.00 0.25 -0.00 0.00 0.00 178.16 178.78 1qrk n THR 561 N -3.29 0.93 -0.25 -0.90 -2.24 -1.26 -0.68 114.28 106.58 1qrk n THR 561 Ca -0.02 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1qrk n THR 561 Cb 0.19 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1qrk n THR 561 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qrk n GLY 562 N 0.10 0.63 3.71 3.38 0.00 0.12 -3.11 105.19 110.02 1qrk n GLY 562 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1qrk n GLY 562 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qrk s VAL 563 N -2.51 4.35 0.30 1.61 1.01 -1.25 -4.76 120.40 119.16 1qrk s VAL 563 Ca 0.00 1.69 -0.29 0.00 0.00 0.00 0.00 61.98 63.38 1qrk s VAL 563 Cb 0.00 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 1qrk s VAL 563 CO 0.00 0.12 1.24 -2.84 0.00 0.00 0.00 175.10 173.62 1qrk s PRO 564 N 1.14 4.45 -0.15 2.72 0.02 -1.26 -1.60 135.00 140.31 1qrk s PRO 564 Ca 0.56 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.68 1qrk s PRO 564 Cb -0.26 -3.12 -0.11 0.00 0.02 0.00 0.00 34.50 31.03 1qrk s PRO 564 CO 0.28 -0.07 -0.11 1.17 -0.33 0.00 0.00 177.00 177.94 1qrk n LYS 565 N 1.10 0.65 -3.62 5.54 3.00 0.21 -4.95 118.16 120.10 1qrk n LYS 565 Ca 0.00 0.07 -0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1qrk n LYS 565 Cb 0.43 -1.31 -0.01 0.00 0.00 0.00 0.00 35.03 34.14 1qrk n LYS 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qrk s ALA 566 N -2.30 -2.17 -0.39 3.14 0.00 -1.18 -4.97 121.76 113.88 1qrk s ALA 566 Ca -0.18 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 1qrk s ALA 566 Cb 0.05 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.47 1qrk s ALA 566 CO 0.38 -0.93 0.20 -2.00 0.00 0.00 0.00 175.76 173.42 1qrk s GLU 567 N -2.46 2.58 0.09 0.00 2.12 -1.26 0.04 118.70 119.81 1qrk s GLU 567 Ca 0.13 -1.37 0.26 0.00 0.36 0.00 0.00 54.97 54.34 1qrk s GLU 567 Cb 0.03 -3.67 0.62 0.00 0.26 0.00 0.00 34.13 31.37 1qrk s GLU 567 CO -0.04 -0.86 1.53 1.97 -0.54 0.00 0.00 175.26 177.33 1qrk n PHE 568 N 4.87 0.43 -3.65 5.30 -1.74 -0.16 -4.86 117.46 117.66 1qrk n PHE 568 Ca -0.10 0.13 -0.05 0.00 -0.56 0.00 0.00 57.45 56.87 1qrk n PHE 568 Cb 0.44 -0.61 -0.06 0.00 1.52 0.00 0.00 39.48 40.77 1qrk n PHE 568 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1qrk s LYS 569 N -3.09 0.64 0.14 3.97 2.20 -1.14 -4.93 119.74 117.53 1qrk s LYS 569 Ca 0.09 1.31 0.10 0.00 -0.36 0.00 0.00 55.97 57.11 1qrk s LYS 569 Cb 0.15 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.89 1qrk s LYS 569 CO 0.66 -0.17 -0.19 0.21 -0.36 0.00 0.00 175.35 175.50 1qrk s LYS 570 N 2.20 1.73 -0.30 4.03 2.47 -1.26 0.03 119.74 128.64 1qrk s LYS 570 Ca -0.08 -1.27 -0.11 0.00 -1.56 0.00 0.00 55.97 52.94 1qrk s LYS 570 Cb -0.08 -2.05 0.17 0.00 -1.46 0.00 0.00 37.83 34.41 1qrk s LYS 570 CO -0.19 0.46 0.89 -2.00 0.16 0.00 0.00 175.35 174.67 1qrk s GLU 571 N -2.33 0.35 0.10 4.03 2.56 0.25 -4.94 118.70 118.72 1qrk s GLU 571 Ca 0.19 0.76 -0.07 0.00 0.00 0.00 0.00 54.97 55.85 1qrk s GLU 571 Cb -0.10 0.44 -0.06 0.00 2.00 0.00 0.00 34.13 36.42 1qrk s GLU 571 CO 0.10 -0.24 0.37 0.95 -0.56 0.00 0.00 175.26 175.89 1qrk s THR 572 N 2.71 5.15 0.30 -1.70 -4.23 -1.26 0.56 115.64 117.18 1qrk s THR 572 Ca 0.02 0.21 0.09 0.00 -1.18 0.00 0.00 61.69 60.83 1qrk s THR 572 Cb -0.10 -3.62 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 1qrk s THR 572 CO -0.17 0.17 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.61 1qrk s PHE 573 N -1.52 2.20 -0.29 3.99 0.40 -0.34 -4.91 117.98 117.51 1qrk s PHE 573 Ca 0.37 -0.52 -0.03 0.00 -0.60 0.00 0.00 56.93 56.14 1qrk s PHE 573 Cb -0.13 -1.18 0.10 0.00 0.51 0.00 0.00 43.02 42.32 1qrk s PHE 573 CO 0.21 0.52 0.12 -0.51 0.70 0.00 0.00 175.22 176.26 1qrk s ASP 574 N -3.52 3.55 -0.09 1.36 1.01 -1.26 -1.37 116.67 116.35 1qrk s ASP 574 Ca 0.30 -1.30 0.01 0.00 0.71 0.00 0.00 52.55 52.27 1qrk s ASP 574 Cb 0.01 -0.44 -0.03 0.00 1.01 0.00 0.00 42.92 43.48 1qrk s ASP 574 CO 0.14 -0.43 -0.09 -0.69 0.21 0.00 0.00 175.17 174.31 1qrk s VAL 575 N 2.02 3.47 -0.16 -1.27 1.01 -0.68 -4.99 120.40 119.80 1qrk s VAL 575 Ca 0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1qrk s VAL 575 Cb -0.16 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1qrk s VAL 575 CO -0.33 0.57 -0.05 -0.89 0.00 0.00 0.00 175.10 174.39 1qrk s THR 576 N -0.39 3.67 -0.16 3.92 2.01 -1.26 0.49 115.64 123.91 1qrk s THR 576 Ca 0.05 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 1qrk s THR 576 Cb -0.12 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1qrk s THR 576 CO 0.02 0.49 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.59 1qrk s LEU 577 N 0.53 2.88 0.74 4.42 1.43 -0.70 -4.96 118.68 123.02 1qrk s LEU 577 Ca -0.04 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.67 1qrk s LEU 577 Cb -0.15 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.45 1qrk s LEU 577 CO 0.03 0.11 1.08 -1.61 0.23 0.00 0.00 176.35 176.19 1qrk s GLU 578 N 0.67 2.20 0.43 1.70 0.41 -1.26 -1.08 118.70 121.76 1qrk s GLU 578 Ca -0.05 -0.05 -0.23 0.00 -0.41 0.00 0.00 54.97 54.23 1qrk s GLU 578 Cb -0.15 -2.08 -0.08 0.00 -1.78 0.00 0.00 34.13 30.04 1qrk s GLU 578 CO 0.02 -1.33 1.11 -1.25 -0.49 0.00 0.00 175.26 173.32 1qrk s PRO 579 N -5.37 3.96 -1.34 0.39 0.04 -1.24 -2.75 135.00 128.70 1qrk s PRO 579 Ca 0.60 1.63 -0.09 0.00 0.04 0.00 0.00 61.00 63.19 1qrk s PRO 579 Cb -0.11 -2.46 0.06 0.00 0.04 0.00 0.00 34.50 32.03 1qrk s PRO 579 CO 0.47 -0.35 0.52 1.28 0.04 0.00 0.00 177.00 178.96 1qrk n LEU 580 N -0.30 -1.78 -4.95 -3.56 4.32 -0.21 -4.88 117.00 105.64 1qrk n LEU 580 Ca 0.06 -0.38 -0.24 0.00 -0.02 0.00 0.00 56.01 55.43 1qrk n LEU 580 Cb 0.49 -2.28 -0.02 0.00 -1.62 0.00 0.00 43.42 39.99 1qrk n LEU 580 CO 0.46 0.18 0.08 -0.55 -1.22 0.00 0.00 177.39 176.34 1qrk s SER 581 N -2.73 6.32 -0.29 -1.43 0.15 -1.11 -4.92 113.70 109.68 1qrk s SER 581 Ca 0.39 0.32 -0.00 0.00 0.70 0.00 0.00 55.95 57.36 1qrk s SER 581 Cb -0.20 -1.97 0.14 0.00 -1.71 0.00 0.00 66.02 62.27 1qrk s SER 581 CO 0.48 -0.18 0.31 0.12 1.20 0.00 0.00 173.24 175.17 1qrk s PHE 582 N -2.14 -0.55 0.05 3.44 5.36 -1.26 -1.10 117.98 121.79 1qrk s PHE 582 Ca 0.38 -0.10 0.05 0.00 -0.96 0.00 0.00 56.93 56.30 1qrk s PHE 582 Cb -0.10 -0.41 -0.04 0.00 -0.34 0.00 0.00 43.02 42.13 1qrk s PHE 582 CO 0.33 -0.93 -0.07 0.15 -1.46 0.00 0.00 175.22 173.23 1qrk s LYS 583 N 2.39 2.40 -0.03 10.12 1.02 -0.66 -4.94 119.74 130.05 1qrk s LYS 583 Ca 0.09 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.28 1qrk s LYS 583 Cb -0.14 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 1qrk s LYS 583 CO -0.32 0.56 -0.15 0.21 -0.92 0.00 0.00 175.35 174.72 1qrk s LYS 584 N -1.83 1.41 0.13 1.68 2.20 -1.26 -0.78 119.74 121.30 1qrk s LYS 584 Ca 0.20 -0.54 0.10 0.00 -0.36 0.00 0.00 55.97 55.37 1qrk s LYS 584 Cb -0.11 -1.30 -0.04 0.00 -1.51 0.00 0.00 37.83 34.87 1qrk s LYS 584 CO 0.11 0.26 -0.23 -1.21 -0.36 0.00 0.00 175.35 173.92 1qrk s GLU 585 N -0.12 1.31 -0.10 4.03 0.41 0.00 -4.95 118.70 119.29 1qrk s GLU 585 Ca 0.01 -1.32 0.00 0.00 -0.41 0.00 0.00 54.97 53.25 1qrk s GLU 585 Cb -0.09 -1.65 0.02 0.00 -1.78 0.00 0.00 34.13 30.64 1qrk s GLU 585 CO 0.01 0.38 -0.09 0.00 -0.49 0.00 0.00 175.26 175.07 1qrk s ALA 586 N -1.31 1.30 0.16 5.21 0.00 -1.26 -0.44 121.76 125.43 1qrk s ALA 586 Ca 0.13 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1qrk s ALA 586 Cb -0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1qrk s ALA 586 CO 0.06 -0.28 0.16 0.08 0.00 0.00 0.00 175.76 175.79 1qrk s VAL 587 N 1.43 4.63 -0.06 0.00 1.01 -0.81 -4.96 120.40 121.64 1qrk s VAL 587 Ca -0.00 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1qrk s VAL 587 Cb -0.13 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1qrk s VAL 587 CO -0.05 -0.11 -0.19 -1.48 0.00 0.00 0.00 175.10 173.27 1qrk s LEU 588 N -3.15 1.93 -0.29 3.92 0.05 -1.26 -1.70 118.68 118.17 1qrk s LEU 588 Ca 0.32 -0.41 -0.09 0.00 0.05 0.00 0.00 54.13 54.00 1qrk s LEU 588 Cb -0.10 -1.10 -0.01 0.00 -2.05 0.00 0.00 46.19 42.93 1qrk s LEU 588 CO 0.24 0.15 0.12 -0.63 -0.55 0.00 0.00 176.35 175.69 1qrk s ILE 589 N 0.16 4.43 0.06 1.48 -1.09 0.10 -5.01 121.20 121.34 1qrk s ILE 589 Ca -0.08 -0.41 -0.13 0.00 -2.23 0.00 0.00 60.65 57.80 1qrk s ILE 589 Cb -0.14 -3.23 -0.06 0.00 -1.58 0.00 0.00 42.46 37.46 1qrk s ILE 589 CO 0.04 0.13 0.43 -1.58 -1.23 0.00 0.00 174.94 172.72 1qrk s GLN 590 N 1.59 3.86 0.27 2.79 -0.44 -1.26 -1.61 119.66 124.86 1qrk s GLN 590 Ca 0.05 0.32 -0.01 0.00 -2.50 0.00 0.00 55.36 53.22 1qrk s GLN 590 Cb -0.17 -3.08 0.59 0.00 -1.64 0.00 0.00 33.01 28.71 1qrk s GLN 590 CO 0.05 0.60 1.67 0.00 0.50 0.00 0.00 175.29 178.12 1qrk h ALA 591 N 4.10 1.14 0.00 1.58 0.00 -1.88 0.21 119.26 124.40 1qrk h ALA 591 Ca -0.50 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1qrk h ALA 591 Cb 1.20 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1qrk h ALA 591 CO 0.64 -0.37 0.00 0.78 0.00 0.00 0.00 179.25 180.30 1qrk h GLY 592 N 0.28 0.00 2.00 0.00 0.00 -1.94 0.23 103.07 103.64 1qrk h GLY 592 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1qrk h GLY 592 CO -0.56 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.16 1qrk n GLU 593 N -2.94 0.07 0.00 4.80 1.02 0.74 -4.22 120.64 120.11 1qrk n GLU 593 Ca -0.01 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1qrk n GLU 593 Cb 0.15 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1qrk n GLU 593 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1qrk n TYR 594 N -1.75 0.00 -0.15 -0.32 0.18 -0.51 -4.78 117.16 109.82 1qrk n TYR 594 Ca 0.04 0.00 0.28 0.00 1.88 0.00 0.00 57.90 60.10 1qrk n TYR 594 Cb 0.22 0.00 0.64 0.00 -0.38 0.00 0.00 39.34 39.82 1qrk n TYR 594 CO 0.00 0.00 0.00 0.52 -2.08 0.00 0.00 176.86 175.30 1qrk h MET 595 N 0.00 0.00 -0.60 -3.48 2.86 -0.76 0.18 114.93 113.13 1qrk h MET 595 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1qrk h MET 595 Cb 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1qrk h MET 595 CO 0.00 0.00 0.05 0.78 1.06 0.00 0.00 176.91 178.80 1qrk h GLY 596 N 0.00 1.09 -2.21 8.32 0.00 -1.80 -3.35 103.07 105.12 1qrk h GLY 596 Ca 0.42 -0.74 -0.20 0.00 0.00 0.00 0.00 47.33 46.82 1qrk h GLY 596 CO -0.00 0.68 -0.67 -1.06 0.00 0.00 0.00 176.54 175.49 1qrk n GLN 597 N -4.20 2.11 -1.64 4.80 3.00 0.63 -5.09 117.38 116.99 1qrk n GLN 597 Ca 0.04 -3.49 -0.33 0.00 -0.01 0.00 0.00 57.00 53.21 1qrk n GLN 597 Cb 0.31 -1.70 0.06 0.00 0.00 0.00 0.00 30.24 28.91 1qrk n GLN 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1qrk s LEU 598 N -3.12 3.30 0.20 1.08 1.43 -1.17 -4.98 118.68 115.42 1qrk s LEU 598 Ca 0.41 1.96 0.09 0.00 -1.03 0.00 0.00 54.13 55.56 1qrk s LEU 598 Cb 0.38 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.02 1qrk s LEU 598 CO -0.04 -1.73 -0.06 -0.76 0.23 0.00 0.00 176.35 174.00 1qrk s LEU 599 N -5.11 3.08 0.12 1.79 1.43 -1.26 -5.04 118.68 113.68 1qrk s LEU 599 Ca 0.66 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1qrk s LEU 599 Cb -0.20 -1.72 0.19 0.00 0.03 0.00 0.00 46.19 44.50 1qrk s LEU 599 CO 0.45 0.07 0.66 -1.84 0.23 0.00 0.00 176.35 175.92 1qrk n GLU 600 N -0.24 -0.04 -0.11 1.70 0.28 -1.26 -0.54 120.64 120.43 1qrk n GLU 600 Ca -0.09 0.66 0.10 0.00 -0.16 0.00 0.00 57.16 57.66 1qrk n GLU 600 Cb 0.56 -0.98 0.32 0.00 1.43 0.00 0.00 31.44 32.78 1qrk n GLU 600 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1qrk n GLN 601 N -4.69 1.84 -3.42 3.44 6.02 -1.26 -4.65 117.38 114.66 1qrk n GLN 601 Ca 0.07 -1.27 -0.19 0.00 -0.01 0.00 0.00 57.00 55.60 1qrk n GLN 601 Cb 0.21 -1.39 0.08 0.00 1.02 0.00 0.00 30.24 30.16 1qrk n GLN 601 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qrk n ALA 602 N 0.50 -1.58 -2.34 -1.58 0.00 0.30 -4.61 120.51 111.20 1qrk n ALA 602 Ca 0.16 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1qrk n ALA 602 Cb 0.36 -3.65 -0.05 0.00 0.00 0.00 0.00 19.45 16.11 1qrk n ALA 602 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qrk s SER 603 N -3.82 6.61 -0.09 0.00 0.01 -1.26 -0.92 113.70 114.23 1qrk s SER 603 Ca 0.26 0.99 -0.07 0.00 1.31 0.00 0.00 55.95 58.44 1qrk s SER 603 Cb -0.11 -2.26 0.03 0.00 0.21 0.00 0.00 66.02 63.89 1qrk s SER 603 CO 0.68 -0.18 0.23 -0.76 0.41 0.00 0.00 173.24 173.63 1qrk s LEU 604 N -3.15 0.81 -0.07 2.44 1.02 -0.10 -3.68 118.68 115.96 1qrk s LEU 604 Ca 0.49 0.49 0.05 0.00 0.02 0.00 0.00 54.13 55.18 1qrk s LEU 604 Cb -0.11 0.76 -0.01 0.00 0.02 0.00 0.00 46.19 46.85 1qrk s LEU 604 CO 0.24 -0.12 -0.24 -2.28 0.02 0.00 0.00 176.35 173.97 1qrk s HIS 605 N 0.62 2.48 -0.08 0.29 2.46 -0.41 -1.67 115.29 118.97 1qrk s HIS 605 Ca -0.04 -0.78 0.04 0.00 0.47 0.00 0.00 55.06 54.75 1qrk s HIS 605 Cb -0.05 -1.63 -0.00 0.00 -0.13 0.00 0.00 32.58 30.77 1qrk s HIS 605 CO -0.04 -0.25 -0.23 -0.06 -2.47 0.00 0.00 174.74 171.70 1qrk s PHE 606 N -0.06 2.36 -0.03 3.88 0.08 0.11 -0.70 117.98 123.63 1qrk s PHE 606 Ca -0.07 -0.89 0.07 0.00 0.12 0.00 0.00 56.93 56.16 1qrk s PHE 606 Cb -0.15 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 1qrk s PHE 606 CO 0.05 -0.34 -0.22 -0.06 -0.10 0.00 0.00 175.22 174.54 1qrk s PHE 607 N 0.24 2.45 -0.08 0.36 0.08 -0.34 -0.65 117.98 120.05 1qrk s PHE 607 Ca -0.14 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 56.53 1qrk s PHE 607 Cb -0.16 -1.54 0.05 0.00 -0.57 0.00 0.00 43.02 40.79 1qrk s PHE 607 CO 0.07 0.04 0.16 0.08 -0.10 0.00 0.00 175.22 175.46 1qrk s VAL 608 N -0.65 -0.22 0.13 -0.44 1.01 0.40 -1.32 120.40 119.30 1qrk s VAL 608 Ca 0.11 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.46 1qrk s VAL 608 Cb -0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1qrk s VAL 608 CO -0.00 0.14 -0.11 0.42 0.00 0.00 0.00 175.10 175.54 1qrk s THR 609 N 2.09 1.18 0.10 3.92 -4.23 -0.99 -1.10 115.64 116.61 1qrk s THR 609 Ca 0.01 -1.87 -0.10 0.00 -1.18 0.00 0.00 61.69 58.55 1qrk s THR 609 Cb -0.12 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 72.08 1qrk s THR 609 CO -0.06 -0.60 0.24 0.00 -0.54 0.00 0.00 174.62 173.65 1qrk s ALA 610 N -2.76 -0.37 -0.05 3.99 0.00 -0.26 -1.71 121.76 120.60 1qrk s ALA 610 Ca 0.12 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.61 1qrk s ALA 610 Cb -0.01 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.65 1qrk s ALA 610 CO 0.01 -0.54 -0.12 0.50 0.00 0.00 0.00 175.76 175.61 1qrk s ARG 611 N -3.85 1.44 -0.87 0.00 3.52 -0.36 -0.94 118.95 117.89 1qrk s ARG 611 Ca 0.05 -0.42 -0.15 0.00 -0.13 0.00 0.00 55.73 55.08 1qrk s ARG 611 Cb 0.04 -1.25 0.19 0.00 -1.56 0.00 0.00 34.95 32.37 1qrk s ARG 611 CO -0.11 0.11 0.89 0.42 -0.81 0.00 0.00 175.30 175.80 1qrk s ILE 612 N 0.35 5.34 0.24 4.11 -1.09 -0.39 -1.89 121.20 127.87 1qrk s ILE 612 Ca -0.08 -2.22 0.17 0.00 -2.23 0.00 0.00 60.65 56.29 1qrk s ILE 612 Cb -0.12 -4.57 0.26 0.00 -1.58 0.00 0.00 42.46 36.44 1qrk s ILE 612 CO 0.02 -1.19 0.87 0.59 -1.23 0.00 0.00 174.94 174.00 1qrk n ASN 613 N 4.76 0.14 0.13 3.58 3.02 -0.34 0.61 115.26 127.17 1qrk n ASN 613 Ca 0.18 0.81 -0.06 0.00 -0.03 0.00 0.00 54.58 55.47 1qrk n ASN 613 Cb 0.47 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1qrk n ASN 613 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1qrk h GLU 614 N 0.00 -0.36 0.00 3.52 3.07 -1.92 -3.37 114.58 115.53 1qrk h GLU 614 Ca 0.49 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1qrk h GLU 614 Cb 1.50 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.49 1qrk h GLU 614 CO -0.30 -0.24 -0.44 0.25 -1.40 0.00 0.00 179.01 176.88 1qrk n THR 615 N -3.72 0.26 -1.04 1.13 -2.24 -0.47 -4.96 114.28 103.24 1qrk n THR 615 Ca -0.05 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 1qrk n THR 615 Cb 0.15 -0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 1qrk n THR 615 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qrk n ARG 616 N -1.92 -0.51 -2.12 -0.78 1.74 0.20 -5.00 116.66 108.28 1qrk n ARG 616 Ca 0.05 0.27 -0.39 0.00 -0.77 0.00 0.00 57.85 57.00 1qrk n ARG 616 Cb 0.40 -3.75 -0.01 0.00 -1.02 0.00 0.00 32.46 28.08 1qrk n ARG 616 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qrk s ASP 617 N -2.22 6.27 -0.14 0.55 1.01 -1.25 -4.69 116.67 116.19 1qrk s ASP 617 Ca 0.00 2.54 -0.02 0.00 0.71 0.00 0.00 52.55 55.78 1qrk s ASP 617 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1qrk s ASP 617 CO 0.00 -0.87 -0.08 -0.69 0.21 0.00 0.00 175.17 173.74 1qrk s VAL 618 N -1.34 3.51 -0.10 -1.27 1.01 -1.26 -1.26 120.40 119.69 1qrk s VAL 618 Ca 0.59 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1qrk s VAL 618 Cb -0.35 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1qrk s VAL 618 CO 0.44 0.51 0.02 -0.76 0.00 0.00 0.00 175.10 175.31 1qrk s LEU 619 N 0.37 3.70 0.12 3.92 1.43 -0.11 -4.80 118.68 123.30 1qrk s LEU 619 Ca -0.07 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1qrk s LEU 619 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1qrk s LEU 619 CO 0.04 0.35 -0.09 0.00 0.23 0.00 0.00 176.35 176.88 1qrk s ALA 620 N -0.71 1.24 -0.29 4.21 0.00 -1.26 -1.10 121.76 123.84 1qrk s ALA 620 Ca 0.12 -1.36 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 1qrk s ALA 620 Cb -0.12 0.07 0.15 0.00 0.00 0.00 0.00 23.12 23.22 1qrk s ALA 620 CO 0.02 -0.11 1.16 0.15 0.00 0.00 0.00 175.76 176.99 1qrk s LYS 621 N -3.46 0.31 -0.01 0.00 -0.14 -0.26 -4.97 119.74 111.22 1qrk s LYS 621 Ca 0.12 0.41 -0.06 0.00 -1.36 0.00 0.00 55.97 55.09 1qrk s LYS 621 Cb 0.01 0.13 0.00 0.00 -1.68 0.00 0.00 37.83 36.30 1qrk s LYS 621 CO -0.01 -0.04 0.11 1.14 -0.76 0.00 0.00 175.35 175.79 1qrk s GLN 622 N 0.44 0.37 0.24 1.68 -2.07 -1.26 -0.45 119.66 118.60 1qrk s GLN 622 Ca 0.01 -0.26 -0.06 0.00 -1.82 0.00 0.00 55.36 53.23 1qrk s GLN 622 Cb -0.05 0.15 -0.02 0.00 -1.09 0.00 0.00 33.01 32.01 1qrk s GLN 622 CO -0.11 -0.08 0.32 0.15 -1.32 0.00 0.00 175.29 174.26 1qrk s LYS 623 N -0.98 1.43 0.04 9.60 1.02 0.17 -5.00 119.74 126.04 1qrk s LYS 623 Ca -0.11 -1.47 -0.03 0.00 0.02 0.00 0.00 55.97 54.39 1qrk s LYS 623 Cb -0.06 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 1qrk s LYS 623 CO 0.01 -0.55 0.02 -1.12 -0.92 0.00 0.00 175.35 172.79 1qrk s SER 624 N -3.10 0.33 0.10 2.83 0.01 -1.26 -0.72 113.70 111.89 1qrk s SER 624 Ca 0.31 -0.76 -0.13 0.00 1.31 0.00 0.00 55.95 56.68 1qrk s SER 624 Cb 0.03 0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.48 1qrk s SER 624 CO 0.12 -0.53 0.31 0.42 0.41 0.00 0.00 173.24 173.97 1qrk s THR 625 N -3.10 0.10 0.06 1.44 -4.23 -0.67 -4.90 115.64 104.33 1qrk s THR 625 Ca -0.01 -0.80 0.08 0.00 -1.18 0.00 0.00 61.69 59.78 1qrk s THR 625 Cb 0.02 -1.19 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 1qrk s THR 625 CO -0.07 -0.44 -0.21 0.68 -0.54 0.00 0.00 174.62 174.04 1qrk s VAL 626 N -3.59 1.69 0.03 2.29 -7.23 -1.26 -0.92 120.40 111.41 1qrk s VAL 626 Ca 0.02 -1.28 -0.24 0.00 -1.81 0.00 0.00 61.98 58.67 1qrk s VAL 626 Cb 0.02 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 1qrk s VAL 626 CO -0.10 0.15 0.73 -0.76 -0.31 0.00 0.00 175.10 174.81 1qrk s LEU 627 N -1.35 4.43 0.17 1.32 1.43 -0.09 -4.66 118.68 119.93 1qrk s LEU 627 Ca 0.07 1.38 -0.31 0.00 -1.03 0.00 0.00 54.13 54.25 1qrk s LEU 627 Cb -0.09 -3.17 -0.09 0.00 0.03 0.00 0.00 46.19 42.87 1qrk s LEU 627 CO 0.02 0.02 1.37 -0.89 0.23 0.00 0.00 176.35 177.11 1qrk s THR 628 N -0.00 3.15 -0.12 5.49 2.01 -0.49 -4.69 115.64 120.98 1qrk s THR 628 Ca 0.37 0.88 -0.02 0.00 0.31 0.00 0.00 61.69 63.24 1qrk s THR 628 Cb -0.20 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1qrk s THR 628 CO 0.22 0.10 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.56 1qrk s ILE 629 N 0.59 3.76 0.32 1.82 1.01 -1.26 -1.06 121.20 126.38 1qrk s ILE 629 Ca 0.61 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.55 1qrk s ILE 629 Cb -0.38 -2.60 -0.10 0.00 0.01 0.00 0.00 42.46 39.39 1qrk s ILE 629 CO 0.35 0.54 1.37 -2.16 0.00 0.00 0.00 174.94 175.03 1qrk s PRO 630 N -0.07 4.30 1.11 2.79 0.04 -1.26 -4.96 135.00 136.95 1qrk s PRO 630 Ca 0.01 2.29 -0.17 0.00 0.04 0.00 0.00 61.00 63.17 1qrk s PRO 630 Cb -0.13 -3.06 0.25 0.00 0.04 0.00 0.00 34.50 31.59 1qrk s PRO 630 CO 0.03 -0.30 1.14 -1.83 0.04 0.00 0.00 177.00 176.08 1qrk s GLU 631 N -1.51 -0.49 -0.12 4.56 -1.05 -1.26 -4.72 118.70 114.10 1qrk s GLU 631 Ca 0.52 0.01 -0.06 0.00 -0.15 0.00 0.00 54.97 55.29 1qrk s GLU 631 Cb -0.41 -1.68 -0.04 0.00 -0.44 0.00 0.00 34.13 31.56 1qrk s GLU 631 CO 0.52 -3.24 0.10 0.42 0.95 0.00 0.00 175.26 174.02 1qrk s ILE 632 N -3.15 5.20 -0.24 1.83 1.01 -1.12 -4.83 121.20 119.89 1qrk s ILE 632 Ca 0.70 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 61.28 1qrk s ILE 632 Cb -0.11 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 1qrk s ILE 632 CO 0.56 0.59 0.44 -0.63 0.00 0.00 0.00 174.94 175.90 1qrk s ILE 633 N -0.77 5.14 -0.20 2.92 -1.09 -0.77 -4.11 121.20 122.32 1qrk s ILE 633 Ca 0.13 0.75 -0.02 0.00 -2.23 0.00 0.00 60.65 59.28 1qrk s ILE 633 Cb -0.12 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1qrk s ILE 633 CO 0.03 0.16 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.15 1qrk s ILE 634 N 1.92 2.82 -0.01 2.92 1.01 -1.26 -1.04 121.20 127.56 1qrk s ILE 634 Ca 0.19 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1qrk s ILE 634 Cb -0.15 -2.24 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 1qrk s ILE 634 CO 0.09 0.48 -0.05 -1.59 0.00 0.00 0.00 174.94 173.86 1qrk s LYS 635 N 1.33 0.48 0.20 2.79 -2.85 0.31 -4.81 119.74 117.20 1qrk s LYS 635 Ca 0.04 -0.18 0.09 0.00 -1.00 0.00 0.00 55.97 54.92 1qrk s LYS 635 Cb -0.14 -0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 35.11 1qrk s LYS 635 CO -0.07 0.10 -0.18 0.14 0.10 0.00 0.00 175.35 175.44 1qrk s VAL 636 N -0.00 1.95 0.03 1.79 -7.23 -1.26 0.26 120.40 115.93 1qrk s VAL 636 Ca 0.00 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.04 1qrk s VAL 636 Cb -0.04 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 1qrk s VAL 636 CO -0.00 -0.39 0.06 -0.13 -0.31 0.00 0.00 175.10 174.33 1qrk s ARG 637 N -3.14 0.51 0.00 4.82 0.52 -0.93 -5.00 118.95 115.73 1qrk s ARG 637 Ca 0.20 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1qrk s ARG 637 Cb -0.04 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.62 1qrk s ARG 637 CO 0.08 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1qrk n GLY 638 N 1.03 0.25 3.38 -3.53 0.00 -1.26 -2.31 105.19 102.74 1qrk n GLY 638 Ca -0.20 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 1qrk n GLY 638 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qrk s THR 639 N 0.00 4.98 -1.39 2.61 -4.23 -1.25 -4.99 115.64 111.37 1qrk s THR 639 Ca 0.00 -1.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 1qrk s THR 639 Cb 0.00 -3.92 -0.05 0.00 1.34 0.00 0.00 72.50 69.88 1qrk s THR 639 CO 0.00 -0.46 2.51 0.00 -0.54 0.00 0.00 174.62 176.13 1qrk n GLN 640 N 5.12 2.99 -4.28 3.99 3.00 -1.26 -4.44 117.38 122.49 1qrk n GLN 640 Ca -0.12 -2.19 -0.17 0.00 -0.01 0.00 0.00 57.00 54.51 1qrk n GLN 640 Cb 0.45 -2.92 -0.14 0.00 0.00 0.00 0.00 30.24 27.62 1qrk n GLN 640 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1qrk s VAL 641 N 2.95 0.66 0.49 5.09 1.01 -1.26 0.95 120.40 130.29 1qrk s VAL 641 Ca 0.57 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.83 1qrk s VAL 641 Cb 0.15 -0.58 -0.07 0.00 0.00 0.00 0.00 36.38 35.88 1qrk s VAL 641 CO -0.05 0.10 1.40 0.52 0.00 0.00 0.00 175.10 177.08 1qrk n VAL 642 N 2.64 3.27 0.00 2.92 0.31 0.14 -1.54 118.33 126.07 1qrk n VAL 642 Ca -0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1qrk n VAL 642 Cb 0.57 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1qrk n VAL 642 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qrk n GLY 643 N 0.65 2.22 3.75 2.92 0.00 -0.23 -4.95 105.19 109.55 1qrk n GLY 643 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1qrk n GLY 643 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qrk s SER 644 N -1.56 6.99 0.15 1.61 0.01 -0.59 -4.93 113.70 115.39 1qrk s SER 644 Ca 0.00 1.18 -0.31 0.00 1.31 0.00 0.00 55.95 58.13 1qrk s SER 644 Cb 0.00 -2.38 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 1qrk s SER 644 CO 0.00 0.06 1.63 -1.81 0.41 0.00 0.00 173.24 173.53 1qrk s ASP 645 N -0.02 6.55 -0.09 2.44 1.11 -1.26 -4.13 116.67 121.27 1qrk s ASP 645 Ca 0.32 2.64 -0.02 0.00 0.18 0.00 0.00 52.55 55.68 1qrk s ASP 645 Cb -0.18 -2.59 0.03 0.00 1.07 0.00 0.00 42.92 41.25 1qrk s ASP 645 CO 0.18 -0.87 0.00 -0.32 1.18 0.00 0.00 175.17 175.34 1qrk s MET 646 N 1.56 0.65 -0.05 8.23 -2.45 0.22 -3.80 119.30 123.66 1qrk s MET 646 Ca 0.72 0.02 -0.27 0.00 -1.25 0.00 0.00 55.69 54.91 1qrk s MET 646 Cb -0.44 -1.16 -0.03 0.00 1.25 0.00 0.00 34.83 34.46 1qrk s MET 646 CO 0.32 -0.35 0.87 0.99 1.05 0.00 0.00 175.02 177.90 1qrk s THR 647 N 1.95 4.93 -0.17 10.11 2.01 -0.98 -0.03 115.64 133.46 1qrk s THR 647 Ca 0.04 1.80 -0.05 0.00 0.31 0.00 0.00 61.69 63.80 1qrk s THR 647 Cb -0.13 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 1qrk s THR 647 CO -0.06 0.17 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.34 1qrk s VAL 648 N 1.12 4.04 -0.16 3.82 1.01 0.25 -2.18 120.40 128.30 1qrk s VAL 648 Ca 0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1qrk s VAL 648 Cb -0.19 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1qrk s VAL 648 CO 0.22 0.47 -0.07 -0.89 0.00 0.00 0.00 175.10 174.83 1qrk s THR 649 N 0.51 3.44 -0.07 3.92 2.01 0.14 -0.51 115.64 125.07 1qrk s THR 649 Ca -0.02 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1qrk s THR 649 Cb -0.14 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 1qrk s THR 649 CO 0.02 0.49 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.51 1qrk s VAL 650 N 0.65 2.09 -0.11 3.82 1.01 0.24 -0.53 120.40 127.58 1qrk s VAL 650 Ca -0.04 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1qrk s VAL 650 Cb -0.15 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.50 1qrk s VAL 650 CO 0.02 0.57 0.26 -1.83 0.00 0.00 0.00 175.10 174.12 1qrk s GLU 651 N 0.03 0.25 -0.03 2.72 -1.05 -0.21 0.90 118.70 121.32 1qrk s GLU 651 Ca -0.09 0.48 0.04 0.00 -0.15 0.00 0.00 54.97 55.24 1qrk s GLU 651 Cb -0.15 -0.02 -0.00 0.00 -0.44 0.00 0.00 34.13 33.51 1qrk s GLU 651 CO 0.06 -0.12 -0.13 0.12 0.95 0.00 0.00 175.26 176.14 1qrk s PHE 652 N 0.86 1.31 -0.28 4.83 5.36 -1.15 -1.84 117.98 127.07 1qrk s PHE 652 Ca -0.06 -0.33 -0.07 0.00 -0.96 0.00 0.00 56.93 55.52 1qrk s PHE 652 Cb -0.07 -0.89 -0.00 0.00 -0.34 0.00 0.00 43.02 41.72 1qrk s PHE 652 CO -0.06 -0.10 0.06 0.99 -1.46 0.00 0.00 175.22 174.66 1qrk s THR 653 N 0.00 3.99 -0.63 0.12 2.01 -1.26 -1.25 115.64 118.62 1qrk s THR 653 Ca -0.01 -0.54 -0.26 0.00 0.31 0.00 0.00 61.69 61.18 1qrk s THR 653 Cb -0.09 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1qrk s THR 653 CO 0.01 0.18 1.83 0.21 -0.69 0.00 0.00 174.62 176.16 1qrk s ASN 654 N 1.53 5.32 -0.05 3.53 2.47 -0.98 -4.87 114.94 121.88 1qrk s ASN 654 Ca 0.04 0.26 0.01 0.00 0.42 0.00 0.00 52.86 53.59 1qrk s ASN 654 Cb -0.16 -2.53 0.10 0.00 -1.45 0.00 0.00 41.25 37.20 1qrk s ASN 654 CO 0.02 -2.36 0.93 -0.81 -3.72 0.00 0.00 177.10 171.16 1qrk n PRO 655 N 9.19 1.33 -4.20 0.43 -0.04 -1.26 -0.91 135.00 139.53 1qrk n PRO 655 Ca 0.20 -0.42 -0.24 0.00 -0.04 0.00 0.00 63.50 63.00 1qrk n PRO 655 Cb 0.52 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 1qrk n PRO 655 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qrk s LEU 656 N -0.42 3.44 -0.00 1.53 1.43 -1.26 -4.94 118.68 118.46 1qrk s LEU 656 Ca 0.08 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1qrk s LEU 656 Cb 0.06 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.36 1qrk s LEU 656 CO 0.02 0.03 1.04 0.29 0.23 0.00 0.00 176.35 177.95 1qrk n LYS 657 N -0.66 1.25 -4.39 1.70 4.76 -1.26 -3.22 118.16 116.34 1qrk n LYS 657 Ca -0.08 -0.36 -0.20 0.00 -2.87 0.00 0.00 58.31 54.80 1qrk n LYS 657 Cb 0.57 -1.12 -0.10 0.00 -1.84 0.00 0.00 35.03 32.54 1qrk n LYS 657 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1qrk s GLU 658 N -1.82 1.45 -0.23 1.97 8.01 -1.26 -4.86 118.70 121.97 1qrk s GLU 658 Ca 0.07 -1.71 -0.22 0.00 0.01 0.00 0.00 54.97 53.12 1qrk s GLU 658 Cb 0.04 -1.05 -0.02 0.00 -4.31 0.00 0.00 34.13 28.79 1qrk s GLU 658 CO 0.04 0.05 0.69 -0.08 0.01 0.00 0.00 175.26 175.98 1qrk s THR 659 N -3.07 4.95 -0.19 3.63 -1.32 -1.26 -3.54 115.64 114.84 1qrk s THR 659 Ca 0.27 1.28 -0.28 0.00 -1.21 0.00 0.00 61.69 61.76 1qrk s THR 659 Cb 0.03 -3.99 -0.00 0.00 -1.51 0.00 0.00 72.50 67.02 1qrk s THR 659 CO 0.10 0.03 0.96 -0.76 -2.21 0.00 0.00 174.62 172.74 1qrk s LEU 660 N 2.37 4.15 0.11 9.08 1.43 -0.76 -4.88 118.68 130.19 1qrk s LEU 660 Ca 0.30 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.75 1qrk s LEU 660 Cb -0.16 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 1qrk s LEU 660 CO 0.09 -0.53 0.22 -0.13 0.23 0.00 0.00 176.35 176.23 1qrk s ARG 661 N 2.60 3.31 -1.24 1.70 0.52 -1.26 -0.75 118.95 123.83 1qrk s ARG 661 Ca 0.43 -0.59 -0.13 0.00 -0.52 0.00 0.00 55.73 54.92 1qrk s ARG 661 Cb -0.16 -2.92 -0.00 0.00 0.52 0.00 0.00 34.95 32.38 1qrk s ARG 661 CO 0.11 0.55 0.67 0.09 0.02 0.00 0.00 175.30 176.73 1qrk n ASN 662 N -0.13 -3.34 -4.68 0.23 3.02 -0.27 -2.30 115.26 107.79 1qrk n ASN 662 Ca -0.07 -1.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.06 1qrk n ASN 662 Cb 0.53 -3.31 -0.02 0.00 -0.61 0.00 0.00 39.78 36.36 1qrk n ASN 662 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qrk s VAL 663 N -3.64 4.63 -0.14 2.41 1.01 -0.27 -4.32 120.40 120.08 1qrk s VAL 663 Ca 0.28 1.93 -0.01 0.00 0.00 0.00 0.00 61.98 64.18 1qrk s VAL 663 Cb -0.10 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1qrk s VAL 663 CO 0.87 -0.07 -0.10 0.26 0.00 0.00 0.00 175.10 176.06 1qrk s TRP 664 N 2.55 2.88 -0.14 5.22 0.52 0.04 -0.12 118.94 129.90 1qrk s TRP 664 Ca 0.49 -0.54 0.00 0.00 0.02 0.00 0.00 56.10 56.07 1qrk s TRP 664 Cb -0.18 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.24 1qrk s TRP 664 CO 0.14 -0.16 -0.15 0.08 0.02 0.00 0.00 176.95 176.88 1qrk s VAL 665 N 0.37 2.84 -0.12 4.03 1.01 -0.17 -1.65 120.40 126.72 1qrk s VAL 665 Ca -0.09 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1qrk s VAL 665 Cb -0.15 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1qrk s VAL 665 CO 0.05 0.52 -0.01 -1.00 0.00 0.00 0.00 175.10 174.66 1qrk s HIS 666 N 0.50 3.11 -0.00 5.22 3.76 0.12 -1.51 115.29 126.49 1qrk s HIS 666 Ca -0.10 0.02 0.07 0.00 -0.15 0.00 0.00 55.06 54.90 1qrk s HIS 666 Cb -0.16 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.64 1qrk s HIS 666 CO 0.04 0.27 -0.23 -1.17 -0.85 0.00 0.00 174.74 172.81 1qrk s LEU 667 N -0.35 2.28 0.25 0.89 2.96 0.46 -1.84 118.68 123.32 1qrk s LEU 667 Ca 0.07 -0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 53.34 1qrk s LEU 667 Cb -0.12 -1.39 0.03 0.00 0.50 0.00 0.00 46.19 45.20 1qrk s LEU 667 CO 0.02 0.30 0.66 -0.62 -1.32 0.00 0.00 176.35 175.39 1qrk s ASP 668 N -0.88 -0.29 0.00 3.68 -1.08 -0.15 -0.51 116.67 117.43 1qrk s ASP 668 Ca 0.11 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1qrk s ASP 668 Cb -0.10 0.68 0.00 0.00 -1.46 0.00 0.00 42.92 42.04 1qrk s ASP 668 CO 0.01 -1.24 0.00 0.61 0.52 0.00 0.00 175.17 175.07 1qrk n GLY 669 N -0.43 0.06 3.74 2.66 0.00 -1.25 -0.19 105.19 109.77 1qrk n GLY 669 Ca -0.07 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 1qrk n GLY 669 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qrk s PRO 670 N 0.00 4.19 0.00 1.61 0.04 -1.25 0.12 135.00 139.71 1qrk s PRO 670 Ca 0.00 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1qrk s PRO 670 Cb 0.00 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1qrk s PRO 670 CO 0.00 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1qrk n GLY 671 N 2.81 2.36 0.78 0.56 0.00 -1.26 -4.71 105.19 105.72 1qrk n GLY 671 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1qrk n GLY 671 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qrk n VAL 672 N -2.00 0.28 -3.95 1.61 0.31 -0.94 0.00 118.33 113.65 1qrk n VAL 672 Ca 0.00 -0.07 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 1qrk n VAL 672 Cb 0.00 -1.50 -0.10 0.00 -0.91 0.00 0.00 33.84 31.32 1qrk n VAL 672 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1qrk s THR 673 N -2.09 0.11 0.72 2.52 -1.32 0.12 -4.00 115.64 111.70 1qrk s THR 673 Ca -0.07 -0.89 -0.10 0.00 -1.21 0.00 0.00 61.69 59.42 1qrk s THR 673 Cb 0.03 -0.41 0.05 0.00 -1.51 0.00 0.00 72.50 70.65 1qrk s THR 673 CO 0.09 -0.49 1.08 -0.60 -2.21 0.00 0.00 174.62 172.49 1qrk s ARG 674 N -1.62 2.40 0.31 7.08 6.06 -1.26 -3.79 118.95 128.12 1qrk s ARG 674 Ca -0.14 0.10 -0.29 0.00 -2.50 0.00 0.00 55.73 52.91 1qrk s ARG 674 Cb -0.08 -2.07 -0.10 0.00 0.06 0.00 0.00 34.95 32.77 1qrk s ARG 674 CO -0.01 -1.23 1.16 -1.25 -2.50 0.00 0.00 175.30 171.48 1qrk s PRO 675 N -5.36 4.50 0.16 5.12 0.04 -1.26 -4.60 135.00 133.60 1qrk s PRO 675 Ca 0.59 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 63.54 1qrk s PRO 675 Cb -0.11 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1qrk s PRO 675 CO 0.48 0.05 0.06 -1.64 0.04 0.00 0.00 177.00 176.00 1qrk s MET 676 N -1.64 1.04 -0.09 4.56 -1.94 0.33 -5.00 119.30 116.55 1qrk s MET 676 Ca 0.47 -1.51 -0.28 0.00 -1.71 0.00 0.00 55.69 52.66 1qrk s MET 676 Cb -0.34 0.13 0.07 0.00 2.01 0.00 0.00 34.83 36.70 1qrk s MET 676 CO 0.44 -0.26 0.65 -1.59 -0.01 0.00 0.00 175.02 174.25 1qrk s LYS 677 N -4.04 0.97 0.12 2.03 -2.85 -1.26 -0.40 119.74 114.29 1qrk s LYS 677 Ca 0.28 0.38 0.04 0.00 -1.00 0.00 0.00 55.97 55.67 1qrk s LYS 677 Cb 0.07 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 1qrk s LYS 677 CO 0.05 -0.26 -0.11 0.21 0.10 0.00 0.00 175.35 175.33 1qrk s LYS 678 N -0.84 0.95 -0.03 1.78 2.20 -0.57 -4.97 119.74 118.27 1qrk s LYS 678 Ca -0.09 -1.26 0.02 0.00 -0.36 0.00 0.00 55.97 54.29 1qrk s LYS 678 Cb -0.02 -0.66 0.01 0.00 -1.51 0.00 0.00 37.83 35.65 1qrk s LYS 678 CO 0.07 0.10 -0.09 1.41 -0.36 0.00 0.00 175.35 176.49 1qrk s MET 679 N -3.01 0.96 -0.22 4.03 -2.45 -1.25 -1.00 119.30 116.35 1qrk s MET 679 Ca 0.09 -0.29 -0.04 0.00 -1.25 0.00 0.00 55.69 54.21 1qrk s MET 679 Cb -0.02 -0.89 -0.01 0.00 1.25 0.00 0.00 34.83 35.16 1qrk s MET 679 CO 0.01 0.09 -0.05 -0.06 1.05 0.00 0.00 175.02 176.07 1qrk s PHE 680 N 0.27 2.95 0.37 4.11 0.08 0.83 -4.94 117.98 121.65 1qrk s PHE 680 Ca -0.04 -0.94 0.21 0.00 0.12 0.00 0.00 56.93 56.28 1qrk s PHE 680 Cb -0.09 -2.10 1.32 0.00 -0.57 0.00 0.00 43.02 41.58 1qrk s PHE 680 CO 0.01 -0.55 1.60 -0.09 -0.10 0.00 0.00 175.22 176.08 1qrk h ARG 681 N 8.10 0.06 -1.76 0.44 2.43 -1.95 -0.69 114.38 121.01 1qrk h ARG 681 Ca -0.42 -0.00 0.23 0.00 -0.81 0.00 0.00 59.98 58.98 1qrk h ARG 681 Cb 1.16 -0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 30.55 1qrk h ARG 681 CO 0.60 0.04 0.70 -1.83 -1.51 0.00 0.00 179.97 177.97 1qrk s GLU 682 N -5.51 0.56 -0.24 0.20 -1.05 -1.26 -1.12 118.70 110.27 1qrk s GLU 682 Ca -0.09 -0.25 -0.04 0.00 -0.15 0.00 0.00 54.97 54.44 1qrk s GLU 682 Cb 0.33 0.23 0.08 0.00 -0.44 0.00 0.00 34.13 34.33 1qrk s GLU 682 CO 0.79 -0.25 0.10 0.42 0.95 0.00 0.00 175.26 177.27 1qrk s ILE 683 N -2.69 0.15 0.73 1.83 1.01 0.07 -4.96 121.20 117.34 1qrk s ILE 683 Ca 0.10 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 1qrk s ILE 683 Cb 0.00 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1qrk s ILE 683 CO -0.04 -0.51 0.54 0.54 0.00 0.00 0.00 174.94 175.46 1qrk n ARG 684 N 5.17 0.29 -1.69 2.79 3.00 -1.26 -1.82 116.66 123.14 1qrk n ARG 684 Ca -0.06 0.14 -0.53 0.00 -0.01 0.00 0.00 57.85 57.39 1qrk n ARG 684 Cb 0.45 -1.84 -0.06 0.00 0.00 0.00 0.00 32.46 31.01 1qrk n ARG 684 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1qrk n PRO 685 N -0.80 1.66 -1.07 5.56 -0.02 -1.23 -2.00 135.00 137.10 1qrk n PRO 685 Ca 0.10 0.61 -0.02 0.00 -2.02 0.00 0.00 63.50 62.16 1qrk n PRO 685 Cb 0.50 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 1qrk n PRO 685 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qrk n ASN 686 N 5.68 -3.89 -4.91 2.55 5.03 -0.09 -4.98 115.26 114.64 1qrk n ASN 686 Ca 0.24 0.06 -0.30 0.00 0.87 0.00 0.00 54.58 55.44 1qrk n ASN 686 Cb 0.21 -1.61 -0.04 0.00 -1.02 0.00 0.00 39.78 37.32 1qrk n ASN 686 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1qrk s SER 687 N -2.34 6.41 -0.13 6.41 1.04 -0.85 -4.81 113.70 119.42 1qrk s SER 687 Ca 0.00 0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 1qrk s SER 687 Cb 0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 66.02 64.09 1qrk s SER 687 CO 0.00 0.10 -0.09 -0.89 0.98 0.00 0.00 173.24 173.34 1qrk s THR 688 N -1.62 3.44 0.56 2.02 2.01 -1.26 -2.31 115.64 118.48 1qrk s THR 688 Ca 0.38 -0.53 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1qrk s THR 688 Cb -0.12 -2.47 0.08 0.00 0.01 0.00 0.00 72.50 69.99 1qrk s THR 688 CO 0.27 0.52 0.78 0.68 -0.69 0.00 0.00 174.62 176.17 1qrk s VAL 689 N 0.26 2.33 -0.03 3.82 -7.23 -0.38 -4.96 120.40 114.22 1qrk s VAL 689 Ca -0.06 -0.93 -0.18 0.00 -1.81 0.00 0.00 61.98 59.00 1qrk s VAL 689 Cb -0.15 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.42 1qrk s VAL 689 CO 0.04 0.00 0.38 -1.58 -0.31 0.00 0.00 175.10 173.63 1qrk s GLN 690 N -4.68 0.72 -0.08 4.82 0.74 -1.26 -2.95 119.66 116.97 1qrk s GLN 690 Ca 0.61 -0.07 -0.03 0.00 0.05 0.00 0.00 55.36 55.92 1qrk s GLN 690 Cb -0.07 0.33 0.05 0.00 1.10 0.00 0.00 33.01 34.42 1qrk s GLN 690 CO 0.39 -0.20 0.16 -0.46 -0.55 0.00 0.00 175.29 174.62 1qrk s TRP 691 N -1.20 -0.17 -0.12 1.67 -0.00 0.26 -4.96 118.94 114.40 1qrk s TRP 691 Ca -0.12 0.60 0.03 0.00 -0.00 0.00 0.00 56.10 56.60 1qrk s TRP 691 Cb -0.04 -0.25 -0.00 0.00 -0.00 0.00 0.00 33.47 33.18 1qrk s TRP 691 CO 0.05 -0.26 -0.21 -1.21 -0.00 0.00 0.00 176.95 175.32 1qrk s GLU 692 N 2.19 3.12 0.01 5.86 2.02 -1.26 0.83 118.70 131.47 1qrk s GLU 692 Ca 0.02 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.19 1qrk s GLU 692 Cb -0.12 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 1qrk s GLU 692 CO -0.06 0.12 -0.04 -2.00 0.02 0.00 0.00 175.26 173.30 1qrk s GLU 693 N 0.51 0.34 -0.20 1.61 2.56 0.33 -4.97 118.70 118.87 1qrk s GLU 693 Ca -0.13 -0.33 -0.08 0.00 0.00 0.00 0.00 54.97 54.43 1qrk s GLU 693 Cb -0.17 -0.22 -0.04 0.00 2.00 0.00 0.00 34.13 35.70 1qrk s GLU 693 CO 0.05 0.05 0.09 0.08 -0.56 0.00 0.00 175.26 174.97 1qrk s VAL 694 N -0.55 4.96 0.16 3.70 1.01 -1.26 0.87 120.40 129.28 1qrk s VAL 694 Ca -0.03 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1qrk s VAL 694 Cb -0.04 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1qrk s VAL 694 CO -0.00 0.43 -0.10 0.00 0.00 0.00 0.00 175.10 175.43 1qrk s ARG 696 N -2.63 2.80 -0.12 0.00 0.52 -1.26 -0.61 118.95 117.65 1qrk s ARG 696 Ca 0.24 -3.07 -0.40 0.00 -0.52 0.00 0.00 55.73 51.99 1qrk s ARG 696 Cb -0.10 -3.72 -0.17 0.00 0.52 0.00 0.00 34.95 31.48 1qrk s ARG 696 CO 0.15 -1.24 1.48 -0.35 0.02 0.00 0.00 175.30 175.36 1qrk n PRO 697 N 2.58 0.87 -0.08 3.54 -0.04 -1.26 -4.52 135.00 136.10 1qrk n PRO 697 Ca 0.16 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 64.05 1qrk n PRO 697 Cb 0.36 -1.94 0.14 0.00 -0.04 0.00 0.00 33.50 32.02 1qrk n PRO 697 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1qrk n TRP 698 N 3.58 0.21 -4.34 0.54 2.14 0.10 -1.07 117.44 118.59 1qrk n TRP 698 Ca 0.23 -0.12 -0.21 0.00 2.07 0.00 0.00 57.50 59.47 1qrk n TRP 698 Cb 0.13 -0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.50 1qrk n TRP 698 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1qrk s VAL 699 N -1.59 1.27 0.58 -1.67 1.01 -0.91 -4.94 120.40 114.15 1qrk s VAL 699 Ca 0.29 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1qrk s VAL 699 Cb 0.19 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.47 1qrk s VAL 699 CO 0.27 -0.03 0.81 -0.44 0.00 0.00 0.00 175.10 175.71 1qrk s SER 700 N -1.40 5.03 0.05 3.32 0.01 -1.26 -4.69 113.70 114.76 1qrk s SER 700 Ca 0.02 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1qrk s SER 700 Cb -0.09 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.74 1qrk s SER 700 CO 0.02 -1.33 0.00 0.61 0.41 0.00 0.00 173.24 172.95 1qrk n GLY 701 N -2.40 -2.11 3.67 3.44 0.00 0.85 -4.80 105.19 103.84 1qrk n GLY 701 Ca 0.11 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1qrk n GLY 701 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qrk s HIS 702 N -0.36 2.11 0.13 1.61 5.65 -1.26 -0.60 115.29 122.58 1qrk s HIS 702 Ca 0.00 0.26 0.00 0.00 0.25 0.00 0.00 55.06 55.57 1qrk s HIS 702 Cb 0.00 -3.90 -0.00 0.00 -1.18 0.00 0.00 32.58 27.50 1qrk s HIS 702 CO 0.00 -3.74 0.01 0.54 -0.65 0.00 0.00 174.74 170.90 1qrk n ARG 703 N 6.76 1.46 -3.73 2.88 5.12 -0.66 -4.94 116.66 123.55 1qrk n ARG 703 Ca 0.17 -1.01 -0.13 0.00 -1.93 0.00 0.00 57.85 54.95 1qrk n ARG 703 Cb 0.42 0.33 -0.08 0.00 -1.16 0.00 0.00 32.46 31.98 1qrk n ARG 703 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1qrk s LYS 704 N -2.49 0.78 -0.05 5.56 2.20 -1.26 -3.39 119.74 121.10 1qrk s LYS 704 Ca 0.01 -0.31 0.03 0.00 -0.36 0.00 0.00 55.97 55.34 1qrk s LYS 704 Cb 0.00 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1qrk s LYS 704 CO 0.01 -0.24 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.13 1qrk s LEU 705 N -1.70 2.86 -0.03 5.43 1.43 0.01 -4.27 118.68 122.40 1qrk s LEU 705 Ca -0.09 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1qrk s LEU 705 Cb -0.03 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1qrk s LEU 705 CO 0.01 0.35 -0.07 -0.63 0.23 0.00 0.00 176.35 176.23 1qrk s ILE 706 N -0.77 0.70 0.09 -0.59 1.01 0.73 -1.01 121.20 121.36 1qrk s ILE 706 Ca 0.12 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.56 1qrk s ILE 706 Cb -0.11 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1qrk s ILE 706 CO 0.01 0.24 -0.16 0.00 0.00 0.00 0.00 174.94 175.03 1qrk s ALA 707 N 0.49 1.44 0.05 9.38 0.00 0.30 -0.98 121.76 132.44 1qrk s ALA 707 Ca -0.07 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 1qrk s ALA 707 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1qrk s ALA 707 CO 0.01 0.22 0.05 -1.54 0.00 0.00 0.00 175.76 174.50 1qrk s SER 708 N -1.91 0.28 0.00 0.00 1.04 -0.77 -1.02 113.70 111.33 1qrk s SER 708 Ca 0.03 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.79 1qrk s SER 708 Cb -0.09 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1qrk s SER 708 CO 0.03 -0.55 -0.13 -0.32 0.98 0.00 0.00 173.24 173.26 1qrk s MET 709 N -3.09 0.97 -0.22 4.02 1.75 0.20 -0.70 119.30 122.23 1qrk s MET 709 Ca -0.01 -0.53 -0.10 0.00 -1.25 0.00 0.00 55.69 53.80 1qrk s MET 709 Cb 0.02 -0.95 0.08 0.00 2.84 0.00 0.00 34.83 36.82 1qrk s MET 709 CO -0.07 0.25 0.50 0.45 -0.65 0.00 0.00 175.02 175.51 1qrk s SER 710 N -0.55 -0.62 0.36 1.11 0.15 -0.66 -2.85 113.70 110.65 1qrk s SER 710 Ca 0.04 1.14 0.06 0.00 0.70 0.00 0.00 55.95 57.89 1qrk s SER 710 Cb -0.06 1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 65.49 1qrk s SER 710 CO 0.00 -0.22 0.20 -1.54 1.20 0.00 0.00 173.24 172.88 1qrk n SER 711 N 4.72 0.34 0.20 5.45 3.41 -0.43 -0.78 113.62 126.54 1qrk n SER 711 Ca -0.17 -3.11 0.14 0.00 -0.26 0.00 0.00 58.87 55.47 1qrk n SER 711 Cb 0.54 1.28 0.71 0.00 -0.26 0.00 0.00 64.21 66.49 1qrk n SER 711 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qrk h ASP 712 N 1.76 0.00 0.00 4.04 3.32 -1.65 -3.39 116.42 120.50 1qrk h ASP 712 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1qrk h ASP 712 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1qrk h ASP 712 CO 0.41 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.39 1qrk n SER 713 N -2.45 0.00 -4.75 6.45 3.41 -1.26 -5.06 113.62 109.96 1qrk n SER 713 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.19 1qrk n SER 713 Cb 0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1qrk n SER 713 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1qrk s LEU 714 N -1.40 4.44 0.34 1.04 2.96 -1.26 -4.85 118.68 119.95 1qrk s LEU 714 Ca 0.00 2.42 -0.17 0.00 -0.22 0.00 0.00 54.13 56.16 1qrk s LEU 714 Cb 0.00 -3.62 0.05 0.00 0.50 0.00 0.00 46.19 43.12 1qrk s LEU 714 CO 0.00 -0.47 0.81 0.00 -1.32 0.00 0.00 176.35 175.37 1qrk s ARG 715 N -0.59 2.04 -0.65 1.98 1.70 -1.26 -1.31 118.95 120.86 1qrk s ARG 715 Ca 0.53 -1.28 -0.02 0.00 -0.47 0.00 0.00 55.73 54.49 1qrk s ARG 715 Cb -0.36 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 1qrk s ARG 715 CO 0.41 -0.95 0.56 1.58 -1.08 0.00 0.00 175.30 175.81 1qrk n HIS 716 N -0.54 -1.29 -4.55 5.89 -0.00 -1.13 -4.82 115.22 108.77 1qrk n HIS 716 Ca -0.07 0.50 -0.33 0.00 0.46 0.00 0.00 57.72 58.27 1qrk n HIS 716 Cb 0.60 -3.30 -0.14 0.00 -0.12 0.00 0.00 29.99 27.02 1qrk n HIS 716 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1qrk s VAL 717 N -3.17 3.04 0.04 3.57 1.01 -1.22 -4.99 120.40 118.68 1qrk s VAL 717 Ca 0.15 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1qrk s VAL 717 Cb -0.07 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1qrk s VAL 717 CO 0.37 0.51 -0.08 -0.31 0.00 0.00 0.00 175.10 175.59 1qrk s TYR 718 N 0.64 0.66 0.05 5.22 2.02 -1.26 0.62 117.35 125.30 1qrk s TYR 718 Ca -0.06 -0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 56.11 1qrk s TYR 718 Cb -0.15 -0.40 -0.01 0.00 -0.40 0.00 0.00 41.96 41.00 1qrk s TYR 718 CO 0.03 -0.08 0.11 0.20 -1.57 0.00 0.00 175.55 174.24 1qrk s GLY 719 N -1.46 0.18 0.27 0.71 0.00 -0.19 -2.80 107.32 104.03 1qrk s GLY 719 Ca -0.09 -0.61 -0.17 0.00 0.00 0.00 0.00 44.72 43.85 1qrk s GLY 719 CO 0.00 -0.75 0.63 -1.83 0.00 0.00 0.00 173.10 171.15 1qrk s GLU 720 N -2.97 1.72 -0.10 2.90 -1.05 -1.26 0.11 118.70 118.05 1qrk s GLU 720 Ca -0.02 -1.12 -0.12 0.00 -0.15 0.00 0.00 54.97 53.57 1qrk s GLU 720 Cb 0.01 0.56 0.03 0.00 -0.44 0.00 0.00 34.13 34.29 1qrk s GLU 720 CO -0.06 -0.76 0.32 -1.17 0.95 0.00 0.00 175.26 174.53 1qrk s LEU 721 N -2.97 0.80 -1.24 1.83 0.20 -0.18 -4.61 118.68 112.52 1qrk s LEU 721 Ca 0.16 0.55 -0.05 0.00 0.69 0.00 0.00 54.13 55.49 1qrk s LEU 721 Cb -0.04 1.12 0.18 0.00 -0.43 0.00 0.00 46.19 47.02 1qrk s LEU 721 CO 0.08 -0.16 2.17 0.47 -0.29 0.00 0.00 176.35 178.62 1qrk n ASP 722 N 2.65 7.55 -4.70 3.68 8.00 -1.26 -0.81 116.55 131.66 1qrk n ASP 722 Ca -0.14 -3.28 -0.30 0.00 0.71 0.00 0.00 54.79 51.78 1qrk n ASP 722 Cb 0.57 -1.32 0.14 0.00 -0.02 0.00 0.00 41.12 40.50 1qrk n ASP 722 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1qrk s VAL 723 N -1.83 2.64 -0.30 2.53 -7.23 -1.22 -4.88 120.40 110.12 1qrk s VAL 723 Ca 0.48 0.21 -0.02 0.00 -1.81 0.00 0.00 61.98 60.83 1qrk s VAL 723 Cb 0.17 -2.54 0.10 0.00 0.56 0.00 0.00 36.38 34.67 1qrk s VAL 723 CO -0.08 -0.27 0.12 -1.58 -0.31 0.00 0.00 175.10 172.97 1qrk s GLN 724 N -4.81 0.44 0.29 4.82 2.00 -1.26 -1.65 119.66 119.50 1qrk s GLN 724 Ca 0.64 -0.80 -0.28 0.00 -2.00 0.00 0.00 55.36 52.92 1qrk s GLN 724 Cb -0.20 -1.56 -0.09 0.00 0.80 0.00 0.00 33.01 31.96 1qrk s GLN 724 CO 0.58 -1.01 1.01 0.42 -0.50 0.00 0.00 175.29 175.79 1qrk s ILE 725 N 1.86 3.85 0.32 -2.34 -1.09 0.24 -4.86 121.20 119.17 1qrk s ILE 725 Ca 0.09 1.73 0.07 0.00 -2.23 0.00 0.00 60.65 60.32 1qrk s ILE 725 Cb -0.17 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 1qrk s ILE 725 CO -0.31 0.32 0.26 -1.10 -1.23 0.00 0.00 174.94 172.88 1qrk s GLN 726 N -1.61 2.75 0.00 2.79 -1.52 0.27 -0.10 119.66 122.23 1qrk s GLN 726 Ca 0.46 -1.25 0.00 0.00 -1.95 0.00 0.00 55.36 52.62 1qrk s GLN 726 Cb -0.26 -2.48 0.00 0.00 -0.22 0.00 0.00 33.01 30.05 1qrk s GLN 726 CO 0.33 0.16 0.00 -2.13 -0.25 0.00 0.00 175.29 173.40