#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1y s VAL 4 N 0.00 1.82 -0.12 0.00 1.01 -1.26 0.02 120.40 121.87 2p1y s VAL 4 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2p1y s VAL 4 Cb 0.00 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2p1y s VAL 4 CO 0.00 0.38 -0.14 0.42 0.00 0.00 0.00 175.10 175.75 2p1y s THR 5 N 1.36 1.48 0.39 3.92 -4.23 -0.35 -4.26 115.64 113.96 2p1y s THR 5 Ca 0.02 -0.61 -0.06 0.00 -1.18 0.00 0.00 61.69 59.86 2p1y s THR 5 Cb -0.14 -1.37 -0.05 0.00 1.34 0.00 0.00 72.50 72.28 2p1y s THR 5 CO -0.10 0.44 0.69 -1.10 -0.54 0.00 0.00 174.62 174.01 2p1y s GLN 6 N 1.16 3.63 -0.29 3.99 -0.21 -1.26 0.10 119.66 126.79 2p1y s GLN 6 Ca -0.03 0.17 -0.14 0.00 0.02 0.00 0.00 55.36 55.38 2p1y s GLN 6 Cb -0.14 -2.48 0.09 0.00 1.00 0.00 0.00 33.01 31.48 2p1y s GLN 6 CO -0.04 -0.00 0.68 0.45 -2.12 0.00 0.00 175.29 174.26 2p1y s SER 7 N -3.56 -0.99 1.03 5.90 0.15 -0.69 -4.58 113.70 110.95 2p1y s SER 7 Ca 0.47 1.52 -0.16 0.00 0.70 0.00 0.00 55.95 58.49 2p1y s SER 7 Cb -0.10 1.62 0.21 0.00 -1.71 0.00 0.00 66.02 66.03 2p1y s SER 7 CO 0.36 -0.23 1.17 -2.16 1.20 0.00 0.00 173.24 173.58 2p1y s PRO 8 N 1.95 0.18 0.04 5.44 0.04 -1.26 0.41 135.00 141.81 2p1y s PRO 8 Ca -0.09 -0.00 0.17 0.00 0.04 0.00 0.00 61.00 61.12 2p1y s PRO 8 Cb -0.07 -1.75 -0.15 0.00 0.04 0.00 0.00 34.50 32.57 2p1y s PRO 8 CO -0.20 -2.79 0.76 0.54 0.04 0.00 0.00 177.00 175.36 2p1y n ARG 9 N -4.12 0.63 -3.84 4.56 1.74 -1.26 -4.71 116.66 109.65 2p1y n ARG 9 Ca 0.11 0.19 -0.12 0.00 -0.77 0.00 0.00 57.85 57.26 2p1y n ARG 9 Cb 0.59 -1.78 -0.13 0.00 -1.02 0.00 0.00 32.46 30.12 2p1y n ARG 9 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2p1y s ASN 10 N -5.70 -0.07 -0.10 0.55 0.01 -1.26 -0.87 114.94 107.50 2p1y s ASN 10 Ca -0.04 0.14 -0.11 0.00 -0.71 0.00 0.00 52.86 52.15 2p1y s ASN 10 Cb 0.09 0.14 0.03 0.00 0.41 0.00 0.00 41.25 41.91 2p1y s ASN 10 CO 0.82 -0.03 0.30 -0.75 -1.51 0.00 0.00 177.10 175.92 2p1y s LYS 11 N 0.07 0.38 -0.05 -0.60 2.47 0.16 -4.95 119.74 117.21 2p1y s LYS 11 Ca -0.00 0.34 0.04 0.00 -1.56 0.00 0.00 55.97 54.79 2p1y s LYS 11 Cb -0.01 0.18 0.00 0.00 -1.46 0.00 0.00 37.83 36.55 2p1y s LYS 11 CO -0.00 -0.06 -0.16 0.08 0.16 0.00 0.00 175.35 175.37 2p1y s VAL 12 N -0.01 1.41 0.29 4.02 1.01 -1.26 -1.21 120.40 124.65 2p1y s VAL 12 Ca -0.02 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.33 2p1y s VAL 12 Cb -0.02 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 2p1y s VAL 12 CO 0.01 0.41 0.23 0.00 0.00 0.00 0.00 175.10 175.75 2p1y s ALA 13 N 0.24 1.66 0.02 5.51 0.00 0.57 -4.95 121.76 124.81 2p1y s ALA 13 Ca -0.08 -1.96 0.05 0.00 0.00 0.00 0.00 51.96 49.96 2p1y s ALA 13 Cb -0.13 1.45 -0.03 0.00 0.00 0.00 0.00 23.12 24.41 2p1y s ALA 13 CO 0.03 -0.64 -0.10 0.54 0.00 0.00 0.00 175.76 175.59 2p1y s VAL 14 N -3.66 3.37 0.34 0.00 0.11 -1.26 -0.95 120.40 118.35 2p1y s VAL 14 Ca 0.40 -0.91 0.15 0.00 -2.93 0.00 0.00 61.98 58.69 2p1y s VAL 14 Cb 0.04 -2.45 0.33 0.00 -1.53 0.00 0.00 36.38 32.76 2p1y s VAL 14 CO 0.23 0.37 1.66 0.74 -3.33 0.00 0.00 175.10 174.77 2p1y h THR 15 N 3.80 0.29 -0.86 5.04 2.02 0.13 -0.88 112.91 122.45 2p1y h THR 15 Ca -0.48 -0.11 0.11 0.00 0.77 0.00 0.00 66.41 66.70 2p1y h THR 15 Cb 1.16 -0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.44 2p1y h THR 15 CO 0.52 0.06 0.50 1.23 0.37 0.00 0.00 175.52 178.19 2p1y h GLY 16 N 0.31 1.37 0.00 2.16 0.00 -1.86 -3.30 103.07 101.74 2p1y h GLY 16 Ca 0.74 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2p1y h GLY 16 CO -0.61 0.11 0.00 0.61 0.00 0.00 0.00 176.54 176.65 2p1y n GLY 17 N -1.33 -1.97 3.17 4.60 0.00 -0.34 -3.99 105.19 105.33 2p1y n GLY 17 Ca 0.15 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2p1y n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2p1y s LYS 18 N -2.89 2.56 -0.03 1.61 2.20 -1.26 -1.25 119.74 120.68 2p1y s LYS 18 Ca 0.00 -0.74 0.05 0.00 -0.36 0.00 0.00 55.97 54.92 2p1y s LYS 18 Cb 0.00 -2.00 -0.01 0.00 -1.51 0.00 0.00 37.83 34.31 2p1y s LYS 18 CO 0.00 0.17 -0.19 0.08 -0.36 0.00 0.00 175.35 175.05 2p1y s VAL 19 N 0.35 1.51 -0.11 4.02 1.01 -0.07 -4.99 120.40 122.12 2p1y s VAL 19 Ca -0.15 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.07 2p1y s VAL 19 Cb -0.17 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2p1y s VAL 19 CO 0.07 0.43 -0.20 -0.89 0.00 0.00 0.00 175.10 174.51 2p1y s THR 20 N -0.18 1.81 -0.17 3.92 2.01 -1.26 -0.57 115.64 121.20 2p1y s THR 20 Ca 0.01 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 2p1y s THR 20 Cb -0.10 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2p1y s THR 20 CO 0.01 0.50 0.10 -0.76 -0.69 0.00 0.00 174.62 173.78 2p1y s LEU 21 N 0.66 4.07 0.03 4.42 1.43 0.18 -4.65 118.68 124.82 2p1y s LEU 21 Ca -0.12 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2p1y s LEU 21 Cb -0.16 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2p1y s LEU 21 CO 0.03 0.24 -0.11 -0.44 0.23 0.00 0.00 176.35 176.30 2p1y s SER 22 N -0.03 4.28 -0.04 2.29 0.01 0.17 -1.59 113.70 118.78 2p1y s SER 22 Ca 0.08 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2p1y s SER 22 Cb -0.12 -0.87 0.01 0.00 0.21 0.00 0.00 66.02 65.25 2p1y s SER 22 CO 0.00 0.26 -0.10 0.00 0.41 0.00 0.00 173.24 173.82 2p1y s ASN 24 N 0.38 2.76 0.17 0.00 2.47 0.12 -1.93 114.94 118.91 2p1y s ASN 24 Ca -0.07 -0.50 0.09 0.00 0.42 0.00 0.00 52.86 52.80 2p1y s ASN 24 Cb -0.11 -1.26 -0.04 0.00 -1.45 0.00 0.00 41.25 38.38 2p1y s ASN 24 CO 0.01 0.09 -0.12 0.00 -3.72 0.00 0.00 177.10 173.36 2p1y s GLN 25 N 0.64 1.97 0.00 0.43 1.03 0.06 -1.21 119.66 122.58 2p1y s GLN 25 Ca -0.13 -1.29 0.09 0.00 0.04 0.00 0.00 55.36 54.07 2p1y s GLN 25 Cb -0.16 -2.12 0.10 0.00 0.03 0.00 0.00 33.01 30.85 2p1y s GLN 25 CO 0.03 0.44 0.84 0.25 -2.54 0.00 0.00 175.29 174.31 2p1y n THR 26 N 0.15 0.16 0.85 3.63 -2.24 0.10 -4.71 114.28 112.22 2p1y n THR 26 Ca -0.11 -0.58 0.09 0.00 -2.27 0.00 0.00 64.05 61.17 2p1y n THR 26 Cb 0.55 1.08 0.45 0.00 -2.10 0.00 0.00 70.33 70.30 2p1y n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2p1y n ASN 27 N 0.46 0.00 -3.94 3.42 3.02 -1.26 -4.89 115.26 112.08 2p1y n ASN 27 Ca 0.06 -0.01 -0.30 0.00 -0.03 0.00 0.00 54.58 54.30 2p1y n ASN 27 Cb 0.25 -0.26 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 2p1y n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2p1y n ASN 28 N -1.26 -3.86 -4.91 6.41 5.15 -1.26 -5.00 115.26 110.53 2p1y n ASN 28 Ca 0.09 -0.84 -0.31 0.00 -0.60 0.00 0.00 54.58 52.92 2p1y n ASN 28 Cb 0.13 -3.67 -0.04 0.00 -0.53 0.00 0.00 39.78 35.67 2p1y n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2p1y s HIS 29 N -3.38 3.49 -0.10 1.20 3.76 -1.26 -5.04 115.29 113.95 2p1y s HIS 29 Ca 0.56 0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 55.79 2p1y s HIS 29 Cb -0.28 -1.91 -0.27 0.00 1.11 0.00 0.00 32.58 31.22 2p1y s HIS 29 CO 0.85 0.48 0.48 -0.91 -0.85 0.00 0.00 174.74 174.79 2p1y h ASN 30 N 2.83 0.45 -3.42 1.40 2.35 -1.88 -3.46 115.58 113.85 2p1y h ASN 30 Ca -0.46 -0.91 -0.55 0.00 -0.55 0.00 0.00 56.30 53.84 2p1y h ASN 30 Cb 1.17 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 2p1y h ASN 30 CO 0.73 1.78 0.13 0.20 -1.65 0.00 0.00 177.43 178.62 2p1y s ASN 31 N -7.11 7.20 0.06 5.81 0.01 -1.11 -2.24 114.94 117.56 2p1y s ASN 31 Ca -0.20 1.43 0.02 0.00 -0.71 0.00 0.00 52.86 53.39 2p1y s ASN 31 Cb 0.06 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 2p1y s ASN 31 CO 0.78 0.07 -0.07 -0.04 -1.51 0.00 0.00 177.10 176.34 2p1y s MET 32 N -0.30 0.60 -0.03 -0.60 -1.94 -0.68 -0.34 119.30 116.01 2p1y s MET 32 Ca 0.37 -0.93 -0.06 0.00 -1.71 0.00 0.00 55.69 53.35 2p1y s MET 32 Cb -0.21 -0.21 0.01 0.00 2.01 0.00 0.00 34.83 36.43 2p1y s MET 32 CO 0.22 0.01 0.14 0.71 -0.01 0.00 0.00 175.02 176.10 2p1y s TYR 33 N -2.15 -0.07 -0.19 -0.03 1.51 -0.28 -1.06 117.35 115.08 2p1y s TYR 33 Ca -0.03 0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 2p1y s TYR 33 Cb -0.05 0.01 0.02 0.00 -0.11 0.00 0.00 41.96 41.83 2p1y s TYR 33 CO -0.02 -0.16 -0.17 -1.58 -1.11 0.00 0.00 175.55 172.51 2p1y s TRP 34 N -0.53 2.85 0.25 2.71 0.52 -0.70 -1.70 118.94 122.35 2p1y s TRP 34 Ca -0.06 -1.64 0.11 0.00 0.02 0.00 0.00 56.10 54.53 2p1y s TRP 34 Cb -0.04 -1.94 -0.05 0.00 -1.15 0.00 0.00 33.47 30.29 2p1y s TRP 34 CO 0.01 -0.79 -0.11 0.71 0.02 0.00 0.00 176.95 176.78 2p1y s TYR 35 N 1.29 2.49 0.27 -1.98 2.02 0.01 -0.49 117.35 120.96 2p1y s TYR 35 Ca 0.04 -0.28 0.12 0.00 -0.37 0.00 0.00 57.07 56.58 2p1y s TYR 35 Cb -0.14 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.25 2p1y s TYR 35 CO -0.11 0.64 -0.20 -0.98 -1.57 0.00 0.00 175.55 173.32 2p1y s ARG 36 N -3.42 1.67 -0.19 -0.62 1.70 -0.58 -0.47 118.95 117.04 2p1y s ARG 36 Ca 0.29 -1.75 0.01 0.00 -0.47 0.00 0.00 55.73 53.81 2p1y s ARG 36 Cb -0.06 -1.78 0.02 0.00 -0.57 0.00 0.00 34.95 32.56 2p1y s ARG 36 CO 0.16 0.34 -0.19 -1.14 -1.08 0.00 0.00 175.30 173.39 2p1y s GLN 37 N -3.43 2.97 0.03 3.89 0.74 0.10 -1.01 119.66 122.94 2p1y s GLN 37 Ca 0.29 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.88 2p1y s GLN 37 Cb -0.05 -2.60 -0.02 0.00 1.10 0.00 0.00 33.01 31.44 2p1y s GLN 37 CO 0.15 -0.23 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.06 2p1y s ASP 38 N 1.29 0.95 -0.31 6.67 1.01 -0.84 -3.74 116.67 121.71 2p1y s ASP 38 Ca 0.04 -0.39 -0.42 0.00 0.71 0.00 0.00 52.55 52.49 2p1y s ASP 38 Cb -0.13 -0.03 -0.17 0.00 1.01 0.00 0.00 42.92 43.60 2p1y s ASP 38 CO -0.12 -0.07 1.67 1.07 0.21 0.00 0.00 175.17 177.92 2p1y n THR 39 N 2.00 0.21 0.00 -1.27 5.66 -1.26 -0.92 114.28 118.70 2p1y n THR 39 Ca -0.19 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2p1y n THR 39 Cb 0.56 -0.99 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 2p1y n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2p1y n GLY 40 N 3.99 3.01 0.00 1.09 0.00 -1.26 -4.78 105.19 107.24 2p1y n GLY 40 Ca 0.27 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.35 2p1y n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2p1y n HIS 41 N -1.33 0.00 -4.17 1.61 -0.00 -0.10 -5.09 115.22 106.14 2p1y n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2p1y n HIS 41 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 29.96 2p1y n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2p1y n GLY 42 N 1.34 3.08 3.64 -1.41 0.00 -0.91 -4.54 105.19 106.38 2p1y n GLY 42 Ca 0.02 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 2p1y n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p1y s LEU 43 N 0.00 4.09 -0.03 0.99 1.43 -1.26 -1.98 118.68 121.92 2p1y s LEU 43 Ca 0.00 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.47 2p1y s LEU 43 Cb 0.00 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 2p1y s LEU 43 CO 0.00 -0.09 -0.21 -0.13 0.23 0.00 0.00 176.35 176.15 2p1y s ARG 44 N 1.58 2.27 -0.22 1.70 0.52 -0.18 -4.93 118.95 119.69 2p1y s ARG 44 Ca 0.14 -0.83 -0.25 0.00 -0.52 0.00 0.00 55.73 54.27 2p1y s ARG 44 Cb -0.15 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.13 2p1y s ARG 44 CO 0.08 0.59 0.85 -1.17 0.02 0.00 0.00 175.30 175.67 2p1y s LEU 45 N -0.66 4.10 -0.18 2.53 0.20 -1.26 -1.53 118.68 121.88 2p1y s LEU 45 Ca 0.11 1.10 -0.20 0.00 0.69 0.00 0.00 54.13 55.83 2p1y s LEU 45 Cb -0.10 -3.23 -0.16 0.00 -0.43 0.00 0.00 46.19 42.26 2p1y s LEU 45 CO -0.00 -0.50 0.21 0.40 -0.29 0.00 0.00 176.35 176.16 2p1y h ILE 46 N 5.37 0.83 -3.31 6.68 2.04 -1.07 0.65 117.51 128.71 2p1y h ILE 46 Ca -0.24 -1.95 -0.08 0.00 1.00 0.00 0.00 64.86 63.60 2p1y h ILE 46 Cb 1.10 1.89 -0.15 0.00 -0.74 0.00 0.00 36.82 38.92 2p1y h ILE 46 CO 0.88 0.28 -0.17 -1.00 0.00 0.00 0.00 178.15 178.14 2p1y s HIS 47 N -2.29 -0.15 0.34 1.37 3.76 -1.22 -0.10 115.29 116.99 2p1y s HIS 47 Ca -0.24 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.64 2p1y s HIS 47 Cb 0.04 0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.88 2p1y s HIS 47 CO 0.52 -0.59 0.41 1.52 -0.85 0.00 0.00 174.74 175.75 2p1y s TYR 48 N -3.05 1.35 -0.17 1.40 -0.85 0.95 -1.71 117.35 115.25 2p1y s TYR 48 Ca -0.02 -1.45 -0.08 0.00 -0.52 0.00 0.00 57.07 55.00 2p1y s TYR 48 Cb 0.01 -0.32 0.07 0.00 0.38 0.00 0.00 41.96 42.09 2p1y s TYR 48 CO -0.07 -1.05 0.40 0.45 -1.52 0.00 0.00 175.55 173.77 2p1y s SER 49 N -3.30 -0.41 -0.04 -0.18 0.15 -0.23 0.10 113.70 109.79 2p1y s SER 49 Ca 0.34 0.90 0.16 0.00 0.70 0.00 0.00 55.95 58.05 2p1y s SER 49 Cb 0.01 0.90 0.53 0.00 -1.71 0.00 0.00 66.02 65.74 2p1y s SER 49 CO 0.24 -0.20 1.42 0.00 1.20 0.00 0.00 173.24 175.89 2p1y n TYR 50 N 4.57 0.95 0.00 3.44 4.11 -1.26 -1.68 117.16 127.29 2p1y n TYR 50 Ca -0.19 -0.42 0.00 0.00 -0.00 0.00 0.00 57.90 57.29 2p1y n TYR 50 Cb 0.54 -0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.78 2p1y n TYR 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2p1y n GLY 51 N 1.18 1.41 3.68 -7.48 0.00 -0.95 -4.39 105.19 98.65 2p1y n GLY 51 Ca 0.19 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2p1y n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p1y n ALA 52 N -0.81 1.10 -0.09 4.61 0.00 -1.26 -1.96 120.51 122.10 2p1y n ALA 52 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2p1y n ALA 52 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.23 2p1y n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p1y n GLY 53 N 0.83 2.64 3.52 0.00 0.00 0.72 -4.98 105.19 107.92 2p1y n GLY 53 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2p1y n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2p1y s SER 54 N -3.79 4.29 -0.00 1.61 0.15 -0.83 -4.92 113.70 110.21 2p1y s SER 54 Ca 0.00 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2p1y s SER 54 Cb 0.00 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 2p1y s SER 54 CO 0.00 0.35 -0.01 0.42 1.20 0.00 0.00 173.24 175.20 2p1y s THR 55 N -0.74 0.07 -0.03 6.45 -4.23 -1.26 -4.43 115.64 111.48 2p1y s THR 55 Ca 0.11 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 2p1y s THR 55 Cb -0.11 -0.08 0.02 0.00 1.34 0.00 0.00 72.50 73.67 2p1y s THR 55 CO 0.01 0.03 -0.02 -1.61 -0.54 0.00 0.00 174.62 172.49 2p1y s GLU 56 N 0.06 0.46 0.39 3.99 0.41 0.29 -4.94 118.70 119.36 2p1y s GLU 56 Ca -0.00 -0.03 -0.25 0.00 -0.41 0.00 0.00 54.97 54.28 2p1y s GLU 56 Cb -0.01 -0.55 -0.09 0.00 -1.78 0.00 0.00 34.13 31.70 2p1y s GLU 56 CO -0.00 -0.06 1.10 0.15 -0.49 0.00 0.00 175.26 175.96 2p1y s LYS 57 N 0.71 4.14 0.00 1.61 1.02 -1.26 -0.04 119.74 125.92 2p1y s LYS 57 Ca -0.08 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.58 2p1y s LYS 57 Cb -0.11 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 2p1y s LYS 57 CO -0.01 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 2p1y n GLY 58 N 0.53 1.56 0.07 -3.33 0.00 0.85 -4.72 105.19 100.16 2p1y n GLY 58 Ca 0.04 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.32 2p1y n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2p1y h ASP 59 N 0.00 0.00 -2.10 1.61 3.32 0.04 -3.39 116.42 115.90 2p1y h ASP 59 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2p1y h ASP 59 Cb 0.00 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 2p1y h ASP 59 CO 0.00 0.93 -0.89 2.30 -1.72 0.00 0.00 179.24 179.86 2p1y n ILE 60 N -3.27 1.67 0.23 0.35 -5.35 -0.20 -4.96 119.36 107.84 2p1y n ILE 60 Ca -0.03 -5.07 0.12 0.00 -0.27 0.00 0.00 62.75 57.50 2p1y n ILE 60 Cb 0.93 -0.86 0.31 0.00 -1.74 0.00 0.00 39.64 38.28 2p1y n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2p1y h PRO 61 N 2.97 0.00 -6.69 6.28 0.13 -1.77 -3.43 132.00 129.49 2p1y h PRO 61 Ca 0.12 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.72 2p1y h PRO 61 Cb 0.73 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.92 2p1y h PRO 61 CO 0.68 0.07 0.89 -0.51 -0.23 0.00 0.00 178.00 178.90 2p1y s ASP 62 N -6.10 6.51 0.00 1.44 1.01 -1.26 -2.21 116.67 116.06 2p1y s ASP 62 Ca 0.05 2.76 0.00 0.00 0.71 0.00 0.00 52.55 56.06 2p1y s ASP 62 Cb 0.07 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2p1y s ASP 62 CO 0.64 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.78 2p1y n GLY 63 N 3.11 0.87 3.19 0.21 0.00 -1.26 -5.06 105.19 106.25 2p1y n GLY 63 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 2p1y n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p1y s TYR 65 N -3.46 1.36 0.35 1.61 1.51 -0.94 -4.43 117.35 113.35 2p1y s TYR 65 Ca 0.00 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 55.69 2p1y s TYR 65 Cb 0.00 -0.77 -0.07 0.00 -0.11 0.00 0.00 41.96 41.01 2p1y s TYR 65 CO 0.00 0.09 0.00 0.15 -1.11 0.00 0.00 175.55 174.68 2p1y s LYS 66 N -1.64 1.75 0.04 -0.62 1.02 -0.25 -4.96 119.74 115.07 2p1y s LYS 66 Ca 0.01 -1.96 -0.03 0.00 0.02 0.00 0.00 55.97 54.01 2p1y s LYS 66 Cb -0.10 -1.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.92 2p1y s LYS 66 CO 0.02 -0.06 0.04 0.00 -0.92 0.00 0.00 175.35 174.44 2p1y s ALA 67 N -2.97 0.12 -0.09 5.17 0.00 -1.26 -0.86 121.76 121.88 2p1y s ALA 67 Ca 0.34 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 2p1y s ALA 67 Cb 0.07 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.49 2p1y s ALA 67 CO 0.16 -0.31 0.20 0.45 0.00 0.00 0.00 175.76 176.25 2p1y s SER 68 N -2.26 -0.08 -0.89 0.00 0.15 -0.60 -4.97 113.70 105.05 2p1y s SER 68 Ca -0.03 0.42 -0.01 0.00 0.70 0.00 0.00 55.95 57.03 2p1y s SER 68 Cb 0.00 0.33 0.24 0.00 -1.71 0.00 0.00 66.02 64.87 2p1y s SER 68 CO -0.06 -0.17 0.88 -1.14 1.20 0.00 0.00 173.24 173.95 2p1y n ARG 69 N 4.38 2.87 0.17 5.44 3.00 -1.26 -0.38 116.66 130.88 2p1y n ARG 69 Ca -0.23 -4.52 0.14 0.00 -0.00 0.00 0.00 57.85 53.24 2p1y n ARG 69 Cb 0.52 -2.41 0.52 0.00 0.00 0.00 0.00 32.46 31.09 2p1y n ARG 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2p1y h PRO 70 N 5.67 0.00 -2.96 -0.14 0.13 -1.95 0.21 132.00 132.95 2p1y h PRO 70 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 2p1y h PRO 70 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2p1y h PRO 70 CO 0.92 0.00 0.30 -1.54 -0.23 0.00 0.00 178.00 177.45 2p1y s SER 71 N -4.80 0.01 0.26 1.44 1.04 -1.25 -4.70 113.70 105.70 2p1y s SER 71 Ca 0.04 -1.13 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 2p1y s SER 71 Cb 0.09 0.83 0.32 0.00 0.10 0.00 0.00 66.02 67.36 2p1y s SER 71 CO 0.47 -1.65 1.72 -0.61 0.98 0.00 0.00 173.24 174.16 2p1y h GLN 72 N 2.00 0.71 0.00 4.02 5.75 -1.95 -3.21 115.11 122.43 2p1y h GLN 72 Ca -0.32 -0.23 -0.17 0.00 -0.15 0.00 0.00 58.65 57.78 2p1y h GLN 72 Cb 1.25 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 2p1y h GLN 72 CO 0.41 0.80 -1.28 0.93 -2.65 0.00 0.00 178.83 177.03 2p1y h GLU 73 N 0.65 0.00 -5.64 1.69 3.07 -1.91 -3.46 114.58 108.97 2p1y h GLU 73 Ca 0.11 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.29 2p1y h GLU 73 Cb 0.57 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 28.16 2p1y h GLU 73 CO 0.04 0.36 -0.86 -0.80 -1.40 0.00 0.00 179.01 176.34 2p1y s ASN 74 N -5.93 3.23 -0.06 1.42 0.01 -1.21 -0.76 114.94 111.63 2p1y s ASN 74 Ca -0.02 -0.50 -0.01 0.00 -0.71 0.00 0.00 52.86 51.62 2p1y s ASN 74 Cb 0.08 -1.19 0.03 0.00 0.41 0.00 0.00 41.25 40.58 2p1y s ASN 74 CO 0.80 0.20 0.01 0.12 -1.51 0.00 0.00 177.10 176.73 2p1y s PHE 75 N 0.10 0.52 0.11 2.20 5.36 -0.81 -3.66 117.98 121.80 2p1y s PHE 75 Ca -0.11 -0.07 0.07 0.00 -0.96 0.00 0.00 56.93 55.86 2p1y s PHE 75 Cb -0.16 -0.71 -0.04 0.00 -0.34 0.00 0.00 43.02 41.77 2p1y s PHE 75 CO 0.06 -0.29 -0.07 0.45 -1.46 0.00 0.00 175.22 173.92 2p1y s SER 76 N 1.95 4.57 -0.12 6.13 0.15 0.48 -2.10 113.70 124.77 2p1y s SER 76 Ca 0.04 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.35 2p1y s SER 76 Cb -0.12 -0.93 0.02 0.00 -1.71 0.00 0.00 66.02 63.27 2p1y s SER 76 CO -0.04 0.17 -0.13 -0.22 1.20 0.00 0.00 173.24 174.22 2p1y s LEU 77 N -2.31 1.57 -0.13 3.45 2.96 -0.62 -1.55 118.68 122.04 2p1y s LEU 77 Ca 0.23 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2p1y s LEU 77 Cb -0.11 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.55 2p1y s LEU 77 CO 0.15 -0.04 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.31 2p1y s ILE 78 N 1.33 1.91 -0.52 6.68 1.09 -0.03 -0.65 121.20 131.00 2p1y s ILE 78 Ca -0.00 -0.89 -0.09 0.00 -1.10 0.00 0.00 60.65 58.57 2p1y s ILE 78 Cb -0.14 -1.70 0.13 0.00 -1.06 0.00 0.00 42.46 39.70 2p1y s ILE 78 CO -0.06 0.52 0.39 -0.76 -0.10 0.00 0.00 174.94 174.93 2p1y s LEU 79 N 0.85 5.73 0.37 2.97 1.02 0.27 -1.10 118.68 128.79 2p1y s LEU 79 Ca -0.07 -2.11 0.06 0.00 0.02 0.00 0.00 54.13 52.02 2p1y s LEU 79 Cb -0.15 -2.00 0.72 0.00 0.02 0.00 0.00 46.19 44.77 2p1y s LEU 79 CO -0.02 -0.64 1.96 -0.33 0.02 0.00 0.00 176.35 177.35 2p1y h GLU 80 N 8.20 0.54 -2.31 1.70 4.39 -1.82 -0.14 114.58 125.12 2p1y h GLU 80 Ca -0.15 -0.07 -0.51 0.00 0.34 0.00 0.00 59.36 58.96 2p1y h GLU 80 Cb 1.05 -0.10 -0.36 0.00 -0.10 0.00 0.00 28.75 29.25 2p1y h GLU 80 CO 0.83 0.47 -0.81 -1.17 -1.16 0.00 0.00 179.01 177.16 2p1y s LEU 81 N -9.26 0.65 0.01 1.33 0.20 -1.23 -4.13 118.68 106.26 2p1y s LEU 81 Ca -0.08 -2.13 -0.30 0.00 0.69 0.00 0.00 54.13 52.31 2p1y s LEU 81 Cb 0.16 -0.05 -0.06 0.00 -0.43 0.00 0.00 46.19 45.82 2p1y s LEU 81 CO 0.75 -0.27 1.45 0.00 -0.29 0.00 0.00 176.35 177.99 2p1y s ALA 82 N 1.02 3.60 0.24 5.97 0.00 -0.38 -4.96 121.76 127.26 2p1y s ALA 82 Ca 0.20 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.17 2p1y s ALA 82 Cb -0.16 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 2p1y s ALA 82 CO -0.03 -0.95 0.24 0.95 0.00 0.00 0.00 175.76 175.97 2p1y s THR 83 N 2.45 4.69 0.63 0.00 -4.23 -1.26 -4.29 115.64 113.63 2p1y s THR 83 Ca 0.66 -1.26 0.35 0.00 -1.18 0.00 0.00 61.69 60.26 2p1y s THR 83 Cb -0.33 -3.53 0.38 0.00 1.34 0.00 0.00 72.50 70.36 2p1y s THR 83 CO 0.28 -0.33 2.19 -0.65 -0.54 0.00 0.00 174.62 175.56 2p1y h PRO 84 N 1.46 0.00 0.00 3.99 0.11 -1.87 -1.49 132.00 134.20 2p1y h PRO 84 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2p1y h PRO 84 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2p1y h PRO 84 CO 0.61 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.06 2p1y h SER 85 N 0.00 0.00 -0.03 -2.05 4.64 -1.95 -2.50 113.55 111.65 2p1y h SER 85 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2p1y h SER 85 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2p1y h SER 85 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2p1y n GLN 86 N -2.43 1.55 -1.98 4.77 6.02 -0.56 -4.86 117.38 119.89 2p1y n GLN 86 Ca 0.00 -0.81 -0.42 0.00 -0.01 0.00 0.00 57.00 55.76 2p1y n GLN 86 Cb 0.17 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 2p1y n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2p1y s THR 87 N -1.97 2.90 0.00 5.09 2.01 -0.94 -4.83 115.64 117.89 2p1y s THR 87 Ca 0.38 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.95 2p1y s THR 87 Cb 0.20 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2p1y s THR 87 CO 0.33 0.03 0.00 -0.24 -0.69 0.00 0.00 174.62 174.05 2p1y n SER 88 N 4.49 0.00 -4.51 3.53 2.88 -0.67 -5.00 113.62 114.34 2p1y n SER 88 Ca 0.14 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.33 2p1y n SER 88 Cb 0.40 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.74 2p1y n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2p1y s VAL 89 N -2.00 4.27 -0.15 2.46 1.01 -1.24 -1.27 120.40 123.47 2p1y s VAL 89 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2p1y s VAL 89 Cb 0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2p1y s VAL 89 CO 0.00 0.42 0.03 -0.31 0.00 0.00 0.00 175.10 175.24 2p1y s TYR 90 N 0.87 3.20 -0.11 5.22 2.02 -0.68 0.00 117.35 127.86 2p1y s TYR 90 Ca 0.02 0.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.79 2p1y s TYR 90 Cb -0.14 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 2p1y s TYR 90 CO 0.02 0.22 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.93 2p1y s PHE 91 N -0.01 2.61 0.13 2.71 0.08 0.38 -0.76 117.98 123.11 2p1y s PHE 91 Ca 0.04 -1.12 -0.05 0.00 0.12 0.00 0.00 56.93 55.91 2p1y s PHE 91 Cb -0.13 -1.75 -0.06 0.00 -0.57 0.00 0.00 43.02 40.52 2p1y s PHE 91 CO 0.01 -0.47 0.37 0.00 -0.10 0.00 0.00 175.22 175.03 2p1y s ALA 93 N -1.61 -0.08 0.14 0.00 0.00 -0.69 0.61 121.76 120.13 2p1y s ALA 93 Ca 0.39 -0.22 0.10 0.00 0.00 0.00 0.00 51.96 52.24 2p1y s ALA 93 Cb -0.12 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2p1y s ALA 93 CO 0.23 -0.13 -0.25 -1.54 0.00 0.00 0.00 175.76 174.08 2p1y s SER 94 N -0.92 3.17 0.33 0.00 1.04 0.28 -1.12 113.70 116.48 2p1y s SER 94 Ca -0.10 -0.78 -0.10 0.00 0.48 0.00 0.00 55.95 55.45 2p1y s SER 94 Cb -0.06 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.87 2p1y s SER 94 CO -0.00 0.13 0.58 -0.83 0.98 0.00 0.00 173.24 174.10 2p1y s GLY 95 N -2.24 0.88 0.00 7.32 0.00 0.53 -1.13 107.32 112.68 2p1y s GLY 95 Ca 0.15 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2p1y s GLY 95 CO 0.07 -0.67 0.00 2.09 0.00 0.00 0.00 173.10 174.59 2p1y n ASP 96 N -1.13 2.40 -2.26 1.64 5.68 -1.26 -2.75 116.55 118.86 2p1y n ASP 96 Ca -0.03 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2p1y n ASP 96 Cb 0.61 0.25 -0.00 0.00 -1.14 0.00 0.00 41.12 40.84 2p1y n ASP 96 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2p1y n ARG 104 N -1.20 -3.49 -4.13 0.11 1.85 -1.26 -4.98 116.66 103.55 2p1y n ARG 104 Ca 0.00 2.53 -0.24 0.00 -1.00 0.00 0.00 57.85 59.15 2p1y n ARG 104 Cb 0.23 -3.35 -0.17 0.00 -1.05 0.00 0.00 32.46 28.13 2p1y n ARG 104 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2p1y s LEU 105 N -0.40 1.24 -0.06 2.89 2.96 -1.26 -4.98 118.68 119.07 2p1y s LEU 105 Ca -0.01 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2p1y s LEU 105 Cb 0.00 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 2p1y s LEU 105 CO 0.02 -0.07 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.50 2p1y s PHE 106 N 1.26 2.80 0.04 5.38 0.08 -0.28 -4.95 117.98 122.32 2p1y s PHE 106 Ca -0.05 -0.09 0.04 0.00 0.12 0.00 0.00 56.93 56.96 2p1y s PHE 106 Cb -0.14 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2p1y s PHE 106 CO -0.02 0.24 -0.05 -0.06 -0.10 0.00 0.00 175.22 175.23 2p1y s PHE 107 N -0.74 2.92 0.24 0.36 0.40 -1.26 0.98 117.98 120.88 2p1y s PHE 107 Ca 0.11 -0.04 -0.04 0.00 -0.60 0.00 0.00 56.93 56.37 2p1y s PHE 107 Cb -0.11 -1.57 0.06 0.00 0.51 0.00 0.00 43.02 41.91 2p1y s PHE 107 CO 0.01 0.42 0.21 0.41 0.70 0.00 0.00 175.22 176.97 2p1y n GLY 108 N 1.16 -2.61 0.03 4.36 0.00 0.20 -4.68 105.19 103.66 2p1y n GLY 108 Ca -0.14 -1.44 0.11 0.00 0.00 0.00 0.00 46.02 44.56 2p1y n GLY 108 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2p1y n HIS 109 N -3.01 0.28 0.00 1.61 -0.00 -1.26 -4.82 115.22 108.02 2p1y n HIS 109 Ca 0.03 0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.29 2p1y n HIS 109 Cb 0.12 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 29.54 2p1y n HIS 109 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2p1y n GLY 110 N 1.38 2.38 2.79 1.57 0.00 -1.26 -5.04 105.19 107.02 2p1y n GLY 110 Ca 0.03 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 2p1y n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p1y s THR 111 N -2.52 0.67 -0.22 2.61 2.01 0.06 -4.73 115.64 113.52 2p1y s THR 111 Ca 0.00 -0.41 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 2p1y s THR 111 Cb 0.00 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.53 2p1y s THR 111 CO 0.00 0.01 1.03 -0.75 -0.69 0.00 0.00 174.62 174.22 2p1y s LYS 112 N 1.82 4.28 -0.16 4.92 2.20 -0.05 -1.69 119.74 131.06 2p1y s LYS 112 Ca 0.01 1.35 -0.01 0.00 -0.36 0.00 0.00 55.97 56.96 2p1y s LYS 112 Cb -0.15 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.53 2p1y s LYS 112 CO -0.07 -0.59 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.04 2p1y s LEU 113 N 3.05 2.69 -0.24 5.43 2.96 -0.40 -0.67 118.68 131.50 2p1y s LEU 113 Ca 0.44 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2p1y s LEU 113 Cb -0.15 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.93 2p1y s LEU 113 CO 0.07 0.10 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.59 2p1y s SER 114 N 0.75 4.27 -0.29 3.68 0.15 -0.35 -1.66 113.70 120.25 2p1y s SER 114 Ca -0.05 -0.83 -0.08 0.00 0.70 0.00 0.00 55.95 55.69 2p1y s SER 114 Cb -0.15 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 2p1y s SER 114 CO 0.01 -0.11 0.11 -0.69 1.20 0.00 0.00 173.24 173.76 2p1y s VAL 115 N 1.34 4.38 0.10 4.45 1.01 -1.26 -0.32 120.40 130.09 2p1y s VAL 115 Ca 0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 2p1y s VAL 115 Cb -0.16 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 2p1y s VAL 115 CO -0.05 0.15 0.85 -0.76 0.00 0.00 0.00 175.10 175.29 2p1y s LEU 116 N 1.59 4.50 0.00 3.92 1.43 -0.12 -4.40 118.68 125.59 2p1y s LEU 116 Ca 0.05 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 2p1y s LEU 116 Cb -0.17 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2p1y s LEU 116 CO 0.05 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.25 2p1y n GLY 201 N 2.18 -0.28 3.57 -3.19 0.00 -1.26 0.74 105.19 106.94 2p1y n GLY 201 Ca -0.01 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2p1y n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p1y s SER 202 N -1.97 0.65 0.07 1.61 1.04 -1.26 -4.88 113.70 108.96 2p1y s SER 202 Ca 0.00 0.60 -0.30 0.00 0.48 0.00 0.00 55.95 56.73 2p1y s SER 202 Cb 0.00 -0.82 -0.18 0.00 0.10 0.00 0.00 66.02 65.12 2p1y s SER 202 CO 0.00 -4.28 1.60 0.00 0.98 0.00 0.00 173.24 171.54 2p1y h ALA 203 N -2.69 -0.71 -0.18 5.32 0.00 -1.99 -2.69 119.26 116.32 2p1y h ALA 203 Ca -0.44 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.34 2p1y h ALA 203 Cb 1.29 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 2p1y h ALA 203 CO 0.32 -0.88 -0.44 0.22 0.00 0.00 0.00 179.25 178.47 2p1y h ASP 204 N -0.75 -1.41 -0.37 0.00 3.58 -1.99 -2.28 116.42 113.20 2p1y h ASP 204 Ca -0.07 0.17 0.03 0.00 0.42 0.00 0.00 57.03 57.58 2p1y h ASP 204 Cb 0.56 0.56 -0.04 0.00 1.72 0.00 0.00 39.33 42.12 2p1y h ASP 204 CO 0.12 -0.36 -0.22 0.47 -2.88 0.00 0.00 179.24 176.37 2p1y n ASP 205 N -4.83 -0.39 0.02 2.28 8.00 -1.26 -0.93 116.55 119.45 2p1y n ASP 205 Ca -0.04 0.94 0.02 0.00 0.71 0.00 0.00 54.79 56.43 2p1y n ASP 205 Cb 0.29 -0.23 0.38 0.00 -0.02 0.00 0.00 41.12 41.54 2p1y n ASP 205 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p1y h ALA 206 N -0.10 1.57 -1.05 2.24 0.00 -1.34 0.26 119.26 120.83 2p1y h ALA 206 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2p1y h ALA 206 Cb 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2p1y h ALA 206 CO -0.35 0.33 0.00 1.63 0.00 0.00 0.00 179.25 180.87 2p1y n LYS 207 N -4.38 0.00 -0.22 0.00 4.01 -0.77 -1.91 118.16 114.89 2p1y n LYS 207 Ca 0.02 0.37 0.13 0.00 -0.51 0.00 0.00 58.31 58.32 2p1y n LYS 207 Cb 0.15 -1.33 0.25 0.00 -0.51 0.00 0.00 35.03 33.59 2p1y n LYS 207 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2p1y n LYS 208 N -1.55 -0.05 -0.03 1.97 2.85 -0.11 -2.04 118.16 119.21 2p1y n LYS 208 Ca 0.00 0.97 -0.17 0.00 -1.05 0.00 0.00 58.31 58.06 2p1y n LYS 208 Cb 0.00 -1.59 -0.06 0.00 -0.65 0.00 0.00 35.03 32.73 2p1y n LYS 208 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2p1y h ASP 209 N 0.00 0.94 -0.13 -5.58 3.32 -0.46 -2.29 116.42 112.23 2p1y h ASP 209 Ca 0.44 -0.61 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 2p1y h ASP 209 Cb 1.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2p1y h ASP 209 CO -0.59 1.41 -0.02 0.00 -1.72 0.00 0.00 179.24 178.32 2p1y h ALA 210 N 0.58 1.53 -0.68 3.45 0.00 -1.07 -3.04 119.26 120.05 2p1y h ALA 210 Ca -0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2p1y h ALA 210 Cb 1.38 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2p1y h ALA 210 CO 0.16 0.34 0.12 0.00 0.00 0.00 0.00 179.25 179.86 2p1y h ALA 211 N 1.64 0.93 -0.10 0.00 0.00 -1.29 -2.56 119.26 117.88 2p1y h ALA 211 Ca 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2p1y h ALA 211 Cb 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2p1y h ALA 211 CO 0.01 0.67 -0.14 1.57 0.00 0.00 0.00 179.25 181.35 2p1y h LYS 212 N 1.04 0.28 -0.43 0.00 2.10 -1.43 -3.20 116.57 114.94 2p1y h LYS 212 Ca 0.21 -0.16 0.06 0.00 -2.00 0.00 0.00 60.65 58.75 2p1y h LYS 212 Cb 0.43 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 31.72 2p1y h LYS 212 CO 0.01 0.73 0.13 -0.22 -2.00 0.00 0.00 179.45 178.10 2p1y h LYS 213 N -0.15 0.27 -0.95 0.07 3.64 -1.57 -2.93 116.57 114.95 2p1y h LYS 213 Ca 0.01 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.55 2p1y h LYS 213 Cb 0.70 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 2p1y h LYS 213 CO 0.03 0.18 0.60 0.22 -2.27 0.00 0.00 179.45 178.22 2p1y h ASP 214 N 0.28 0.65 -0.15 4.20 3.58 -1.54 0.28 116.42 123.73 2p1y h ASP 214 Ca 0.20 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2p1y h ASP 214 Cb 0.22 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2p1y h ASP 214 CO -0.23 0.27 0.00 0.61 -2.88 0.00 0.00 179.24 177.01 2p1y n GLY 215 N -1.41 -0.19 3.70 -0.78 0.00 -1.11 -3.38 105.19 102.01 2p1y n GLY 215 Ca 0.20 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2p1y n GLY 215 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p1y s GLN 302 N -1.80 2.86 -0.12 1.61 -0.21 0.98 -4.94 119.66 118.03 2p1y s GLN 302 Ca 0.20 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 55.02 2p1y s GLN 302 Cb 0.10 -2.72 -0.02 0.00 1.00 0.00 0.00 33.01 31.38 2p1y s GLN 302 CO 0.15 0.64 -0.13 0.08 -2.12 0.00 0.00 175.29 173.91 2p1y s VAL 303 N -1.08 3.10 -0.12 1.09 1.01 -1.26 -4.06 120.40 119.08 2p1y s VAL 303 Ca 0.19 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2p1y s VAL 303 Cb -0.12 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2p1y s VAL 303 CO 0.10 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.51 2p1y s ARG 304 N 0.18 3.07 0.05 2.72 3.03 -0.36 -4.34 118.95 123.30 2p1y s ARG 304 Ca -0.07 -0.85 0.08 0.00 2.03 0.00 0.00 55.73 56.91 2p1y s ARG 304 Cb -0.15 -2.39 -0.03 0.00 -1.03 0.00 0.00 34.95 31.35 2p1y s ARG 304 CO 0.05 0.10 -0.20 -0.65 -1.13 0.00 0.00 175.30 173.48 2p1y s GLN 305 N 0.53 2.00 -0.03 3.89 -0.21 -1.26 -1.57 119.66 123.02 2p1y s GLN 305 Ca -0.14 -1.02 -0.02 0.00 0.02 0.00 0.00 55.36 54.20 2p1y s GLN 305 Cb -0.17 -2.14 0.01 0.00 1.00 0.00 0.00 33.01 31.71 2p1y s GLN 305 CO 0.04 0.53 0.07 0.45 -2.12 0.00 0.00 175.29 174.26 2p1y s SER 306 N -1.44 -0.07 0.58 5.90 0.15 -0.76 -4.51 113.70 113.55 2p1y s SER 306 Ca 0.14 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2p1y s SER 306 Cb -0.10 0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.39 2p1y s SER 306 CO 0.05 -0.03 0.81 -2.16 1.20 0.00 0.00 173.24 173.12 2p1y s PRO 307 N 0.02 2.46 0.38 5.44 0.04 -1.26 -1.92 135.00 140.16 2p1y s PRO 307 Ca -0.00 -0.74 0.06 0.00 0.04 0.00 0.00 61.00 60.35 2p1y s PRO 307 Cb -0.01 -2.44 0.75 0.00 0.04 0.00 0.00 34.50 32.84 2p1y s PRO 307 CO 0.00 -0.81 1.99 1.96 0.04 0.00 0.00 177.00 180.17 2p1y h GLN 308 N -0.04 0.54 -4.05 4.56 4.20 -1.81 -3.41 115.11 115.11 2p1y h GLN 308 Ca -0.42 -0.06 -0.42 0.00 0.06 0.00 0.00 58.65 57.81 2p1y h GLN 308 Cb 1.30 -0.10 -0.34 0.00 0.30 0.00 0.00 27.48 28.63 2p1y h GLN 308 CO 0.52 0.44 -0.77 0.45 -0.67 0.00 0.00 178.83 178.80 2p1y s SER 309 N -6.70 1.02 -0.09 1.46 0.15 -1.26 -0.57 113.70 107.71 2p1y s SER 309 Ca -0.08 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.43 2p1y s SER 309 Cb 0.17 -0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.03 2p1y s SER 309 CO 0.74 -0.05 -0.04 -0.22 1.20 0.00 0.00 173.24 174.87 2p1y s LEU 310 N 0.92 0.95 -0.21 3.45 0.20 0.50 -4.95 118.68 119.55 2p1y s LEU 310 Ca -0.11 -0.20 -0.04 0.00 0.69 0.00 0.00 54.13 54.47 2p1y s LEU 310 Cb -0.14 -0.64 -0.01 0.00 -0.43 0.00 0.00 46.19 44.96 2p1y s LEU 310 CO 0.00 -0.14 -0.04 -0.89 -0.29 0.00 0.00 176.35 174.99 2p1y s THR 311 N 1.74 3.49 0.20 3.68 2.01 -1.26 -0.75 115.64 124.75 2p1y s THR 311 Ca 0.03 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.62 2p1y s THR 311 Cb -0.13 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 2p1y s THR 311 CO -0.06 0.43 -0.06 0.68 -0.69 0.00 0.00 174.62 174.92 2p1y s VAL 312 N 1.32 1.23 0.32 3.82 -7.23 -0.38 -4.99 120.40 114.49 2p1y s VAL 312 Ca 0.04 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.09 2p1y s VAL 312 Cb -0.14 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 2p1y s VAL 312 CO -0.01 -0.51 0.59 0.26 -0.31 0.00 0.00 175.10 175.11 2p1y s TRP 313 N -3.29 3.49 0.32 2.82 0.52 -1.26 -1.01 118.94 120.52 2p1y s TRP 313 Ca 0.23 0.65 -0.29 0.00 0.02 0.00 0.00 56.10 56.71 2p1y s TRP 313 Cb 0.03 -2.12 -0.10 0.00 -1.15 0.00 0.00 33.47 30.13 2p1y s TRP 313 CO 0.06 0.10 1.38 -1.83 0.02 0.00 0.00 176.95 176.68 2p1y s GLU 314 N -3.79 4.28 0.00 4.98 -1.05 -0.40 -1.70 118.70 121.02 2p1y s GLU 314 Ca 0.44 2.31 0.00 0.00 -0.15 0.00 0.00 54.97 57.57 2p1y s GLU 314 Cb -0.10 -3.06 0.00 0.00 -0.44 0.00 0.00 34.13 30.52 2p1y s GLU 314 CO 0.32 -0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.62 2p1y n GLY 315 N 1.16 3.33 3.75 -3.83 0.00 0.24 -4.91 105.19 104.93 2p1y n GLY 315 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2p1y n GLY 315 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p1y s GLU 316 N -0.69 1.22 -0.29 1.61 2.02 -0.69 -4.16 118.70 117.72 2p1y s GLU 316 Ca 0.00 0.54 -0.12 0.00 0.02 0.00 0.00 54.97 55.41 2p1y s GLU 316 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 2p1y s GLU 316 CO 0.00 -2.19 0.22 0.99 0.02 0.00 0.00 175.26 174.30 2p1y s THR 317 N -3.10 5.29 -0.23 3.63 2.01 -1.26 -1.79 115.64 120.19 2p1y s THR 317 Ca 0.63 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 62.51 2p1y s THR 317 Cb -0.16 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 2p1y s THR 317 CO 0.55 0.18 0.89 0.00 -0.69 0.00 0.00 174.62 175.55 2p1y s ALA 318 N 1.79 3.64 -0.23 7.40 0.00 -0.68 -4.91 121.76 128.77 2p1y s ALA 318 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 2p1y s ALA 318 Cb -0.16 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 2p1y s ALA 318 CO 0.11 -0.91 0.03 0.42 0.00 0.00 0.00 175.76 175.41 2p1y s ILE 319 N 2.82 4.02 -0.03 0.00 1.01 -1.26 -1.05 121.20 126.71 2p1y s ILE 319 Ca 0.38 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.82 2p1y s ILE 319 Cb -0.15 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2p1y s ILE 319 CO 0.08 0.38 -0.23 -0.76 0.00 0.00 0.00 174.94 174.41 2p1y s LEU 320 N 1.43 2.23 0.09 2.97 1.02 0.46 -4.86 118.68 122.02 2p1y s LEU 320 Ca 0.05 -0.40 0.08 0.00 0.02 0.00 0.00 54.13 53.88 2p1y s LEU 320 Cb -0.15 -1.40 -0.03 0.00 0.02 0.00 0.00 46.19 44.63 2p1y s LEU 320 CO 0.02 0.32 -0.22 0.20 0.02 0.00 0.00 176.35 176.69 2p1y s ASN 321 N -0.60 2.66 0.03 2.29 0.01 -0.81 -0.57 114.94 117.95 2p1y s ASN 321 Ca 0.09 -0.65 -0.09 0.00 -0.71 0.00 0.00 52.86 51.50 2p1y s ASN 321 Cb -0.10 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.39 2p1y s ASN 321 CO -0.00 0.11 0.18 0.00 -1.51 0.00 0.00 177.10 175.88 2p1y s SER 323 N -1.97 -0.41 0.20 0.00 1.04 -0.61 -1.15 113.70 110.80 2p1y s SER 323 Ca -0.07 0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.51 2p1y s SER 323 Cb -0.02 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2p1y s SER 323 CO -0.03 -0.65 0.28 -0.72 0.98 0.00 0.00 173.24 173.10 2p1y s TYR 324 N -2.06 0.65 0.00 5.02 -0.85 -1.10 -1.22 117.35 117.79 2p1y s TYR 324 Ca -0.08 -0.97 0.00 0.00 -0.52 0.00 0.00 57.07 55.50 2p1y s TYR 324 Cb -0.01 -0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.17 2p1y s TYR 324 CO 0.01 -0.77 0.00 0.39 -1.52 0.00 0.00 175.55 173.67 2p1y n GLU 325 N -0.27 2.12 -2.50 -3.49 -0.58 -1.26 -4.87 120.64 109.79 2p1y n GLU 325 Ca -0.03 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.29 2p1y n GLU 325 Cb 0.64 -0.91 -0.02 0.00 -0.57 0.00 0.00 31.44 30.58 2p1y n GLU 325 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2p1y s ASN 326 N -2.09 7.03 0.38 1.62 2.47 -1.22 -4.93 114.94 118.20 2p1y s ASN 326 Ca 0.00 1.66 0.28 0.00 0.42 0.00 0.00 52.86 55.22 2p1y s ASN 326 Cb 0.00 -2.55 1.15 0.00 -1.45 0.00 0.00 41.25 38.40 2p1y s ASN 326 CO 0.00 -0.66 1.83 0.28 -3.72 0.00 0.00 177.10 174.83 2p1y h SER 327 N 7.73 0.00 0.91 -4.21 0.02 -1.95 -3.27 113.55 112.79 2p1y h SER 327 Ca -0.28 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.57 2p1y h SER 327 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 2p1y h SER 327 CO 0.93 0.00 -0.47 0.00 -1.14 0.00 0.00 176.83 176.15 2p1y h ALA 328 N 2.16 0.90 -2.04 3.77 0.00 -2.00 -3.44 119.26 118.62 2p1y h ALA 328 Ca 0.00 -0.43 -0.62 0.00 0.00 0.00 0.00 54.91 53.86 2p1y h ALA 328 Cb 0.42 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.17 2p1y h ALA 328 CO 0.00 0.59 0.89 1.19 0.00 0.00 0.00 179.25 181.92 2p1y n PHE 329 N -3.52 2.19 0.00 0.00 3.72 -1.23 -4.71 117.46 113.91 2p1y n PHE 329 Ca -0.00 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 2p1y n PHE 329 Cb 0.59 -2.56 0.00 0.00 -0.94 0.00 0.00 39.48 36.57 2p1y n PHE 329 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2p1y n ASP 330 N 4.79 0.43 -4.22 4.37 5.68 -0.98 -4.89 116.55 121.73 2p1y n ASP 330 Ca 0.20 -0.16 -0.33 0.00 -0.50 0.00 0.00 54.79 54.00 2p1y n ASP 330 Cb 0.26 0.41 -0.16 0.00 -1.14 0.00 0.00 41.12 40.50 2p1y n ASP 330 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2p1y s TYR 331 N -0.50 2.72 -0.51 2.11 5.04 -1.11 0.22 117.35 125.31 2p1y s TYR 331 Ca 0.00 -1.18 0.03 0.00 -2.44 0.00 0.00 57.07 53.49 2p1y s TYR 331 Cb 0.00 -1.84 0.15 0.00 0.35 0.00 0.00 41.96 40.62 2p1y s TYR 331 CO 0.00 -0.53 0.33 -0.06 -1.34 0.00 0.00 175.55 173.95 2p1y s PHE 332 N 0.78 2.30 0.30 4.97 0.40 0.12 -1.57 117.98 125.28 2p1y s PHE 332 Ca -0.07 -2.70 -0.23 0.00 -0.60 0.00 0.00 56.93 53.34 2p1y s PHE 332 Cb -0.16 -1.96 -0.09 0.00 0.51 0.00 0.00 43.02 41.32 2p1y s PHE 332 CO -0.00 -0.72 0.86 -1.25 0.70 0.00 0.00 175.22 174.80 2p1y s PRO 333 N -0.24 4.39 -0.06 0.24 0.04 -1.23 -2.05 135.00 136.08 2p1y s PRO 333 Ca 0.23 1.10 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 2p1y s PRO 333 Cb -0.13 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 2p1y s PRO 333 CO -0.09 0.27 0.13 -1.58 0.04 0.00 0.00 177.00 175.78 2p1y s TRP 334 N -1.68 3.50 0.04 0.56 0.52 0.01 -1.25 118.94 120.64 2p1y s TRP 334 Ca 0.50 0.39 0.08 0.00 0.02 0.00 0.00 56.10 57.09 2p1y s TRP 334 Cb -0.16 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.27 2p1y s TRP 334 CO 0.21 0.66 -0.23 0.71 0.02 0.00 0.00 176.95 178.32 2p1y s TYR 335 N -1.14 2.42 -0.14 -1.98 2.02 -0.51 0.22 117.35 118.24 2p1y s TYR 335 Ca 0.20 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 2p1y s TYR 335 Cb -0.12 -1.42 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 2p1y s TYR 335 CO 0.10 0.19 -0.15 -1.14 -1.57 0.00 0.00 175.55 172.97 2p1y s GLN 336 N -1.34 3.25 -0.15 -0.62 0.74 -0.54 -0.78 119.66 120.23 2p1y s GLN 336 Ca 0.13 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 54.79 2p1y s GLN 336 Cb -0.10 -2.59 0.04 0.00 1.10 0.00 0.00 33.01 31.45 2p1y s GLN 336 CO 0.03 0.09 -0.03 -1.14 -0.55 0.00 0.00 175.29 173.70 2p1y s GLN 337 N 0.62 1.18 0.34 1.67 0.74 0.11 -1.83 119.66 122.50 2p1y s GLN 337 Ca -0.08 -0.38 -0.09 0.00 0.05 0.00 0.00 55.36 54.85 2p1y s GLN 337 Cb -0.16 -1.82 -0.06 0.00 1.10 0.00 0.00 33.01 32.06 2p1y s GLN 337 CO 0.03 -0.43 0.67 -0.06 -0.55 0.00 0.00 175.29 174.95 2p1y s PHE 338 N 1.73 3.46 0.29 1.67 0.08 -1.26 -1.99 117.98 121.96 2p1y s PHE 338 Ca 0.01 0.92 -0.30 0.00 0.12 0.00 0.00 56.93 57.68 2p1y s PHE 338 Cb -0.15 -2.32 -0.12 0.00 -0.57 0.00 0.00 43.02 39.85 2p1y s PHE 338 CO -0.07 0.04 1.47 -2.30 -0.10 0.00 0.00 175.22 174.27 2p1y n PRO 339 N -0.95 2.39 -1.25 0.24 -0.02 -1.26 -1.74 135.00 132.40 2p1y n PRO 339 Ca 0.01 0.85 -0.09 0.00 -2.02 0.00 0.00 63.50 62.25 2p1y n PRO 339 Cb 0.54 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 2p1y n PRO 339 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p1y n GLY 340 N 1.76 0.99 3.35 -1.23 0.00 -1.26 -5.01 105.19 103.79 2p1y n GLY 340 Ca 0.08 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 2p1y n GLY 340 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p1y s GLU 341 N -2.48 1.44 0.55 1.61 2.02 -0.71 -5.17 118.70 115.96 2p1y s GLU 341 Ca 0.00 -1.77 -0.10 0.00 0.02 0.00 0.00 54.97 53.12 2p1y s GLU 341 Cb 0.00 -0.51 -0.05 0.00 0.10 0.00 0.00 34.13 33.67 2p1y s GLU 341 CO 0.00 -0.21 0.94 0.20 0.02 0.00 0.00 175.26 176.21 2p1y s GLY 342 N -3.35 1.70 0.50 -1.39 0.00 -1.26 -4.64 107.32 98.88 2p1y s GLY 342 Ca 0.34 -0.17 -0.22 0.00 0.00 0.00 0.00 44.72 44.68 2p1y s GLY 342 CO 0.12 0.07 1.25 -4.14 0.00 0.00 0.00 173.10 170.41 2p1y s PRO 343 N -4.78 3.48 -0.02 2.90 0.02 -1.26 -4.61 135.00 130.73 2p1y s PRO 343 Ca 0.53 1.98 0.04 0.00 0.02 0.00 0.00 61.00 63.57 2p1y s PRO 343 Cb -0.11 -2.34 -0.01 0.00 0.02 0.00 0.00 34.50 32.07 2p1y s PRO 343 CO 0.46 -0.84 -0.14 0.00 -0.33 0.00 0.00 177.00 176.16 2p1y s ALA 344 N -1.44 1.17 0.25 -1.55 0.00 -0.76 -4.94 121.76 114.49 2p1y s ALA 344 Ca 0.67 -0.56 -0.31 0.00 0.00 0.00 0.00 51.96 51.76 2p1y s ALA 344 Cb -0.34 -0.34 -0.12 0.00 0.00 0.00 0.00 23.12 22.32 2p1y s ALA 344 CO 0.40 0.25 1.62 -0.11 0.00 0.00 0.00 175.76 177.93 2p1y n LEU 345 N 2.94 4.01 -0.10 0.00 7.94 -1.26 -1.46 117.00 129.07 2p1y n LEU 345 Ca -0.16 1.11 -0.14 0.00 -1.11 0.00 0.00 56.01 55.71 2p1y n LEU 345 Cb 0.54 -1.56 -0.05 0.00 0.53 0.00 0.00 43.42 42.89 2p1y n LEU 345 CO 0.25 0.07 -0.80 -0.11 -1.11 0.00 0.00 177.39 175.69 2p1y n LEU 346 N 2.92 1.92 -3.60 -1.96 7.94 0.13 -4.88 117.00 119.47 2p1y n LEU 346 Ca 0.12 0.38 -0.11 0.00 -1.11 0.00 0.00 56.01 55.29 2p1y n LEU 346 Cb 0.35 -0.79 -0.06 0.00 0.53 0.00 0.00 43.42 43.45 2p1y n LEU 346 CO 0.64 -0.08 0.70 -0.51 -1.11 0.00 0.00 177.39 177.03 2p1y s ILE 347 N -2.70 0.00 0.05 1.96 2.07 -1.22 -5.03 121.20 116.33 2p1y s ILE 347 Ca -0.29 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 58.95 2p1y s ILE 347 Cb 0.06 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 2p1y s ILE 347 CO 0.42 0.00 -0.04 -0.94 -1.91 0.00 0.00 174.94 172.47 2p1y s SER 348 N -0.46 0.55 0.05 4.50 1.04 -1.26 -0.81 113.70 117.32 2p1y s SER 348 Ca -0.01 -0.87 0.05 0.00 0.48 0.00 0.00 55.95 55.60 2p1y s SER 348 Cb -0.03 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 2p1y s SER 348 CO -0.01 -0.50 -0.14 -0.51 0.98 0.00 0.00 173.24 173.06 2p1y s ILE 349 N -3.23 1.12 0.08 -1.02 2.07 -0.87 -4.92 121.20 114.42 2p1y s ILE 349 Ca 0.02 -1.13 -0.07 0.00 -1.41 0.00 0.00 60.65 58.06 2p1y s ILE 349 Cb 0.03 -1.04 -0.05 0.00 0.13 0.00 0.00 42.46 41.53 2p1y s ILE 349 CO -0.07 -0.09 0.35 -0.76 -1.91 0.00 0.00 174.94 172.46 2p1y s LEU 350 N -1.39 4.33 0.01 8.50 1.43 -1.26 -0.71 118.68 129.59 2p1y s LEU 350 Ca 0.00 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 2p1y s LEU 350 Cb -0.09 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.16 2p1y s LEU 350 CO 0.02 0.16 0.97 -1.54 0.23 0.00 0.00 176.35 176.18 2p1y n SER 351 N 0.70 0.01 0.19 2.29 3.41 0.59 -1.72 113.62 119.08 2p1y n SER 351 Ca -0.07 0.46 0.14 0.00 -0.26 0.00 0.00 58.87 59.14 2p1y n SER 351 Cb 0.52 -0.46 0.64 0.00 -0.26 0.00 0.00 64.21 64.65 2p1y n SER 351 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2p1y h VAL 352 N 0.00 0.00 -2.59 -3.33 -1.51 -1.94 -3.45 116.25 103.43 2p1y h VAL 352 Ca 0.00 -0.19 -0.60 0.00 -1.23 0.00 0.00 66.70 64.68 2p1y h VAL 352 Cb 0.09 0.92 -0.13 0.00 -2.13 0.00 0.00 31.29 30.05 2p1y h VAL 352 CO 0.00 0.00 -0.71 -0.55 -1.23 0.00 0.00 177.57 175.08 2p1y s SER 353 N -4.54 4.21 0.00 4.19 0.15 -0.70 -5.05 113.70 111.96 2p1y s SER 353 Ca 0.01 -0.69 0.13 0.00 0.70 0.00 0.00 55.95 56.09 2p1y s SER 353 Cb 0.09 -0.67 0.08 0.00 -1.71 0.00 0.00 66.02 63.81 2p1y s SER 353 CO 0.36 0.06 0.87 -0.90 1.20 0.00 0.00 173.24 174.83 2p1y n ASP 354 N -0.40 1.95 -3.65 5.45 5.75 -1.26 -4.77 116.55 119.62 2p1y n ASP 354 Ca -0.08 -1.47 -0.03 0.00 -0.01 0.00 0.00 54.79 53.19 2p1y n ASP 354 Cb 0.57 0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.68 2p1y n ASP 354 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2p1y s LYS 355 N -1.12 0.62 -0.06 0.11 2.20 -1.26 -1.77 119.74 118.47 2p1y s LYS 355 Ca 0.14 1.38 0.03 0.00 -0.36 0.00 0.00 55.97 57.16 2p1y s LYS 355 Cb 0.10 0.62 0.00 0.00 -1.51 0.00 0.00 37.83 37.05 2p1y s LYS 355 CO 0.18 -0.18 -0.17 0.21 -0.36 0.00 0.00 175.35 175.03 2p1y s LYS 356 N 2.46 2.02 -0.11 4.03 2.47 -0.16 -4.98 119.74 125.47 2p1y s LYS 356 Ca -0.07 -0.59 0.03 0.00 -1.56 0.00 0.00 55.97 53.78 2p1y s LYS 356 Cb -0.10 -1.65 0.01 0.00 -1.46 0.00 0.00 37.83 34.63 2p1y s LYS 356 CO -0.19 0.14 -0.18 -2.00 0.16 0.00 0.00 175.35 173.27 2p1y s GLU 357 N 0.37 2.52 -0.35 4.03 2.12 -1.26 -0.03 118.70 126.10 2p1y s GLU 357 Ca -0.12 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 54.56 2p1y s GLU 357 Cb -0.15 -2.04 0.15 0.00 0.26 0.00 0.00 34.13 32.36 2p1y s GLU 357 CO 0.04 0.02 0.37 0.34 -0.54 0.00 0.00 175.26 175.50 2p1y s ASP 358 N 0.74 1.09 1.18 -1.70 2.15 -0.13 -5.03 116.67 114.98 2p1y s ASP 358 Ca -0.11 -1.30 0.00 0.00 0.43 0.00 0.00 52.55 51.57 2p1y s ASP 358 Cb -0.16 0.65 0.00 0.00 -0.30 0.00 0.00 42.92 43.11 2p1y s ASP 358 CO 0.02 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2p1y n GLY 359 N 4.54 1.64 0.04 2.66 0.00 -1.26 -2.52 105.19 110.29 2p1y n GLY 359 Ca 0.08 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.75 2p1y n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p1y n ARG 361 N 12.37 0.11 -3.41 1.61 1.74 -1.26 -4.84 116.66 122.99 2p1y n ARG 361 Ca 0.00 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.76 2p1y n ARG 361 Cb 0.00 -1.63 -0.09 0.00 -1.02 0.00 0.00 32.46 29.72 2p1y n ARG 361 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2p1y s PHE 362 N -3.04 3.21 -0.11 -1.55 0.40 -1.05 -1.00 117.98 114.83 2p1y s PHE 362 Ca 0.12 -0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.39 2p1y s PHE 362 Cb 0.16 -2.67 0.01 0.00 0.51 0.00 0.00 43.02 41.03 2p1y s PHE 362 CO 0.57 -0.45 -0.20 0.99 0.70 0.00 0.00 175.22 176.82 2p1y s THR 363 N 1.99 1.83 -0.13 0.64 2.01 0.32 -0.95 115.64 121.34 2p1y s THR 363 Ca 0.11 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 61.04 2p1y s THR 363 Cb -0.17 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 2p1y s THR 363 CO 0.12 0.51 0.58 -0.63 -0.69 0.00 0.00 174.62 174.50 2p1y s ILE 364 N 0.67 5.10 -0.16 1.82 1.01 0.96 -0.20 121.20 130.40 2p1y s ILE 364 Ca -0.12 1.14 -0.01 0.00 0.00 0.00 0.00 60.65 61.66 2p1y s ILE 364 Cb -0.16 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 2p1y s ILE 364 CO 0.03 0.24 -0.10 -0.36 0.00 0.00 0.00 174.94 174.74 2p1y s PHE 365 N 1.09 2.86 -0.09 3.97 0.40 -0.51 -0.99 117.98 124.72 2p1y s PHE 365 Ca 0.30 -0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 55.83 2p1y s PHE 365 Cb -0.16 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.46 2p1y s PHE 365 CO 0.12 -0.35 -0.06 0.12 0.70 0.00 0.00 175.22 175.76 2p1y s PHE 366 N 0.76 1.22 -0.59 0.36 5.36 -0.73 -0.76 117.98 123.60 2p1y s PHE 366 Ca -0.04 -0.54 -0.09 0.00 -0.96 0.00 0.00 56.93 55.30 2p1y s PHE 366 Cb -0.15 -1.07 0.15 0.00 -0.34 0.00 0.00 43.02 41.61 2p1y s PHE 366 CO 0.01 -0.43 0.48 1.21 -1.46 0.00 0.00 175.22 175.03 2p1y s ASN 367 N 1.68 5.87 0.23 6.13 3.84 0.25 -4.55 114.94 128.38 2p1y s ASN 367 Ca 0.03 -2.31 -0.03 0.00 0.21 0.00 0.00 52.86 50.75 2p1y s ASN 367 Cb -0.13 -2.03 0.23 0.00 -0.55 0.00 0.00 41.25 38.77 2p1y s ASN 367 CO -0.06 -0.60 1.66 0.50 -2.79 0.00 0.00 177.10 175.81 2p1y h LYS 368 N 7.98 0.76 -0.63 0.43 3.64 -1.93 0.53 116.57 127.35 2p1y h LYS 368 Ca -0.10 -0.28 0.02 0.00 -1.27 0.00 0.00 60.65 59.02 2p1y h LYS 368 Cb 1.04 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 2p1y h LYS 368 CO 0.81 0.89 0.40 -0.09 -2.27 0.00 0.00 179.45 179.19 2p1y h ARG 369 N 0.67 0.78 0.00 1.90 2.43 -1.96 -2.80 114.38 115.41 2p1y h ARG 369 Ca 0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2p1y h ARG 369 Cb 0.68 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2p1y h ARG 369 CO 0.05 0.52 -0.92 0.39 -1.51 0.00 0.00 179.97 178.50 2p1y n GLU 370 N -4.68 0.39 -3.07 0.20 -0.58 -1.13 -4.98 120.64 106.78 2p1y n GLU 370 Ca 0.05 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.71 2p1y n GLU 370 Cb 0.05 -1.68 0.06 0.00 -0.57 0.00 0.00 31.44 29.30 2p1y n GLU 370 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2p1y n LYS 371 N -2.21 -4.87 -4.06 3.49 5.02 0.18 -4.94 118.16 110.76 2p1y n LYS 371 Ca 0.02 0.58 -0.13 0.00 -2.02 0.00 0.00 58.31 56.76 2p1y n LYS 371 Cb 0.47 -4.83 -0.13 0.00 -0.02 0.00 0.00 35.03 30.53 2p1y n LYS 371 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2p1y s LYS 372 N -5.25 0.40 -0.05 1.97 1.02 -0.85 -2.71 119.74 114.27 2p1y s LYS 372 Ca 0.13 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.59 2p1y s LYS 372 Cb -0.06 -0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.03 2p1y s LYS 372 CO 0.50 0.05 0.15 -1.17 -0.92 0.00 0.00 175.35 173.96 2p1y s LEU 373 N -0.93 1.43 -0.01 3.17 2.96 -0.30 -0.58 118.68 124.42 2p1y s LEU 373 Ca -0.06 0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 2p1y s LEU 373 Cb -0.06 0.54 -0.01 0.00 0.50 0.00 0.00 46.19 47.16 2p1y s LEU 373 CO -0.00 -0.09 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.36 2p1y s SER 374 N -0.09 1.68 -0.22 3.68 0.01 0.06 -1.14 113.70 117.68 2p1y s SER 374 Ca -0.02 -0.26 -0.06 0.00 1.31 0.00 0.00 55.95 56.92 2p1y s SER 374 Cb -0.02 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 2p1y s SER 374 CO 0.00 0.17 0.04 -0.22 0.41 0.00 0.00 173.24 173.65 2p1y s LEU 375 N -0.35 3.39 -0.22 2.44 2.96 0.26 -1.42 118.68 125.75 2p1y s LEU 375 Ca 0.05 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 2p1y s LEU 375 Cb -0.06 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 2p1y s LEU 375 CO -0.01 0.02 0.01 -1.00 -1.32 0.00 0.00 176.35 174.06 2p1y s HIS 376 N 1.25 3.04 -0.46 5.38 3.76 0.72 -0.41 115.29 128.58 2p1y s HIS 376 Ca 0.04 -0.53 -0.11 0.00 -0.15 0.00 0.00 55.06 54.31 2p1y s HIS 376 Cb -0.15 -2.13 0.10 0.00 1.11 0.00 0.00 32.58 31.51 2p1y s HIS 376 CO 0.02 -0.33 0.33 0.42 -0.85 0.00 0.00 174.74 174.34 2p1y s ILE 377 N 1.26 4.46 0.50 0.60 1.01 -0.21 -0.52 121.20 128.29 2p1y s ILE 377 Ca 0.04 -1.49 -0.14 0.00 0.00 0.00 0.00 60.65 59.06 2p1y s ILE 377 Cb -0.15 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.46 2p1y s ILE 377 CO 0.01 -0.64 0.94 0.00 0.00 0.00 0.00 174.94 175.25 2p1y s ALA 378 N 1.45 3.14 -1.34 9.38 0.00 -0.17 -1.69 121.76 132.53 2p1y s ALA 378 Ca 0.04 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.96 2p1y s ALA 378 Cb -0.25 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2p1y s ALA 378 CO 0.02 -0.24 0.47 -0.25 0.00 0.00 0.00 175.76 175.76 2p1y n ASP 379 N -1.67 -1.73 -4.75 0.00 8.00 -1.24 -4.81 116.55 110.35 2p1y n ASP 379 Ca 0.05 -1.09 -0.39 0.00 0.71 0.00 0.00 54.79 54.07 2p1y n ASP 379 Cb 0.54 -2.71 0.04 0.00 -0.02 0.00 0.00 41.12 38.97 2p1y n ASP 379 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2p1y n SER 380 N -2.79 2.88 -4.27 -2.24 3.41 -0.74 -4.53 113.62 105.35 2p1y n SER 380 Ca -0.24 1.01 -0.16 0.00 -0.26 0.00 0.00 58.87 59.22 2p1y n SER 380 Cb 0.65 -1.59 -0.10 0.00 -0.26 0.00 0.00 64.21 62.91 2p1y n SER 380 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p1y s GLN 381 N -2.79 1.10 0.36 4.33 -2.07 -1.26 -0.59 119.66 118.75 2p1y s GLN 381 Ca 0.69 -1.41 0.16 0.00 -1.82 0.00 0.00 55.36 52.98 2p1y s GLN 381 Cb -0.42 -0.81 1.07 0.00 -1.09 0.00 0.00 33.01 31.75 2p1y s GLN 381 CO 0.51 0.13 1.71 -1.35 -1.32 0.00 0.00 175.29 174.97 2p1y h PRO 382 N 2.97 0.39 0.00 9.60 0.11 -1.93 0.61 132.00 143.74 2p1y h PRO 382 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2p1y h PRO 382 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2p1y h PRO 382 CO 0.59 0.26 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 2p1y n GLY 383 N -1.37 -0.83 0.06 -0.55 0.00 -1.26 -1.62 105.19 99.62 2p1y n GLY 383 Ca 0.29 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2p1y n GLY 383 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2p1y n ASP 384 N -1.13 0.28 -4.69 1.61 8.00 0.21 -4.87 116.55 115.97 2p1y n ASP 384 Ca 0.14 -0.26 -0.43 0.00 0.71 0.00 0.00 54.79 54.95 2p1y n ASP 384 Cb 0.12 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2p1y n ASP 384 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2p1y n SER 385 N -1.18 3.96 0.00 -2.24 7.64 -0.64 -4.90 113.62 116.26 2p1y n SER 385 Ca 0.12 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2p1y n SER 385 Cb 0.28 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 2p1y n SER 385 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2p1y n ALA 386 N 5.61 0.00 -2.71 -0.43 0.00 -0.98 -4.86 120.51 117.15 2p1y n ALA 386 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 2p1y n ALA 386 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 2p1y n ALA 386 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2p1y s THR 387 N -2.00 5.18 -0.17 0.00 2.01 -0.84 -0.39 115.64 119.43 2p1y s THR 387 Ca 0.00 0.91 -0.03 0.00 0.31 0.00 0.00 61.69 62.88 2p1y s THR 387 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2p1y s THR 387 CO 0.00 0.30 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.86 2p1y s TYR 388 N 0.83 2.95 -0.10 4.92 1.51 0.21 0.09 117.35 127.75 2p1y s TYR 388 Ca 0.24 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 2p1y s TYR 388 Cb -0.15 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 2p1y s TYR 388 CO 0.10 -0.25 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.13 2p1y s PHE 389 N 0.74 2.86 -0.16 2.71 0.40 0.04 -1.12 117.98 123.46 2p1y s PHE 389 Ca -0.03 -0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 55.92 2p1y s PHE 389 Cb -0.15 -1.78 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 2p1y s PHE 389 CO 0.02 0.07 0.22 0.00 0.70 0.00 0.00 175.22 176.23 2p1y s ALA 391 N 0.09 2.43 -0.07 0.00 0.00 -0.38 0.11 121.76 123.94 2p1y s ALA 391 Ca 0.14 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.36 2p1y s ALA 391 Cb -0.12 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2p1y s ALA 391 CO 0.02 0.21 -0.13 0.00 0.00 0.00 0.00 175.76 175.86 2p1y s ALA 392 N -2.60 1.36 -0.11 0.00 0.00 0.15 -3.55 121.76 117.02 2p1y s ALA 392 Ca 0.26 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.76 2p1y s ALA 392 Cb -0.04 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2p1y s ALA 392 CO 0.11 0.10 -0.15 0.42 0.00 0.00 0.00 175.76 176.24 2p1y s ILE 393 N 0.69 1.49 -0.62 0.00 1.01 -0.61 -1.23 121.20 121.93 2p1y s ILE 393 Ca -0.14 -0.64 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 2p1y s ILE 393 Cb -0.16 -1.36 0.04 0.00 0.01 0.00 0.00 42.46 40.99 2p1y s ILE 393 CO 0.03 0.44 1.12 -0.62 0.00 0.00 0.00 174.94 175.91 2p1y s ASP 394 N 0.95 6.32 0.47 3.58 -1.08 -1.22 -2.33 116.67 123.37 2p1y s ASP 394 Ca -0.07 -0.26 0.32 0.00 -0.52 0.00 0.00 52.55 52.01 2p1y s ASP 394 Cb -0.15 -2.51 1.62 0.00 -1.46 0.00 0.00 42.92 40.42 2p1y s ASP 394 CO -0.01 -1.49 1.97 0.71 0.52 0.00 0.00 175.17 176.87 2p1y h THR 395 N 6.07 0.00 0.00 1.71 1.35 -1.92 -1.22 112.91 118.90 2p1y h THR 395 Ca -0.26 -0.12 -0.12 0.00 -0.55 0.00 0.00 66.41 65.35 2p1y h THR 395 Cb 1.06 0.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 2p1y h THR 395 CO 1.18 0.00 -0.79 0.78 -0.25 0.00 0.00 175.52 176.44 2p1y h ASN 396 N 0.00 0.00 0.14 5.36 2.35 -1.92 -3.39 115.58 118.11 2p1y h ASN 396 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2p1y h ASN 396 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2p1y h ASN 396 CO 0.00 1.17 -0.04 0.00 -1.65 0.00 0.00 177.43 176.91 2p1y n ALA 397 N -3.29 2.68 -3.60 -0.83 0.00 -1.19 -5.00 120.51 109.28 2p1y n ALA 397 Ca -0.20 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 52.67 2p1y n ALA 397 Cb 0.50 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.64 2p1y n ALA 397 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2p1y n TYR 398 N -0.66 -2.06 -4.18 0.00 0.53 -0.47 -5.01 117.16 105.31 2p1y n TYR 398 Ca 0.19 0.57 -0.19 0.00 -1.02 0.00 0.00 57.90 57.45 2p1y n TYR 398 Cb 0.24 -3.51 -0.16 0.00 -1.03 0.00 0.00 39.34 34.89 2p1y n TYR 398 CO 0.00 0.00 0.00 -1.59 -1.02 0.00 0.00 176.86 174.25 2p1y s LYS 399 N -5.52 0.75 -0.30 -0.72 -2.85 -1.25 -5.03 119.74 104.82 2p1y s LYS 399 Ca 0.41 -0.13 -0.11 0.00 -1.00 0.00 0.00 55.97 55.14 2p1y s LYS 399 Cb -0.14 -0.76 -0.03 0.00 -2.06 0.00 0.00 37.83 34.85 2p1y s LYS 399 CO 0.84 -0.03 0.19 0.08 0.10 0.00 0.00 175.35 176.53 2p1y s VAL 400 N 0.67 5.05 -0.22 1.79 1.01 -1.26 -3.38 120.40 124.06 2p1y s VAL 400 Ca -0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 2p1y s VAL 400 Cb -0.12 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2p1y s VAL 400 CO 0.00 0.14 0.05 -0.63 0.00 0.00 0.00 175.10 174.66 2p1y s ILE 401 N 1.70 4.38 -0.15 2.22 -1.09 -0.36 -4.99 121.20 122.91 2p1y s ILE 401 Ca 0.06 -0.16 -0.08 0.00 -2.23 0.00 0.00 60.65 58.24 2p1y s ILE 401 Cb -0.17 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 2p1y s ILE 401 CO 0.09 0.40 0.13 -0.36 -1.23 0.00 0.00 174.94 173.97 2p1y s PHE 402 N 1.06 3.53 0.94 3.97 0.40 -1.26 0.33 117.98 126.95 2p1y s PHE 402 Ca 0.04 0.45 -0.13 0.00 -0.60 0.00 0.00 56.93 56.69 2p1y s PHE 402 Cb -0.14 -2.01 0.16 0.00 0.51 0.00 0.00 43.02 41.53 2p1y s PHE 402 CO 0.03 0.58 1.13 0.20 0.70 0.00 0.00 175.22 177.86 2p1y s GLY 403 N -0.55 1.58 0.10 4.36 0.00 0.12 -4.57 107.32 108.36 2p1y s GLY 403 Ca 0.12 -0.52 0.27 0.00 0.00 0.00 0.00 44.72 44.60 2p1y s GLY 403 CO 0.02 0.07 1.82 0.28 0.00 0.00 0.00 173.10 175.28 2p1y n LYS 404 N -3.89 0.14 0.00 2.90 5.02 -1.26 -4.77 118.16 116.29 2p1y n LYS 404 Ca 0.06 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2p1y n LYS 404 Cb 0.59 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 2p1y n LYS 404 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2p1y n GLY 405 N 1.40 2.50 3.06 0.72 0.00 -1.26 -5.03 105.19 106.59 2p1y n GLY 405 Ca 0.06 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 2p1y n GLY 405 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p1y s THR 406 N -2.26 1.75 -0.37 2.61 2.01 -0.27 -4.59 115.64 114.53 2p1y s THR 406 Ca 0.00 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.00 2p1y s THR 406 Cb 0.00 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.91 2p1y s THR 406 CO 0.00 0.49 0.90 -1.00 -0.69 0.00 0.00 174.62 174.31 2p1y s HIS 407 N 1.36 3.09 -0.18 4.92 3.76 0.27 -0.62 115.29 127.88 2p1y s HIS 407 Ca 0.04 0.72 -0.09 0.00 -0.15 0.00 0.00 55.06 55.58 2p1y s HIS 407 Cb -0.13 -3.60 -0.05 0.00 1.11 0.00 0.00 32.58 29.92 2p1y s HIS 407 CO -0.11 -0.81 0.13 -1.17 -0.85 0.00 0.00 174.74 171.94 2p1y s LEU 408 N 3.39 4.22 -0.20 0.89 2.96 0.47 -0.37 118.68 130.05 2p1y s LEU 408 Ca 0.37 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 2p1y s LEU 408 Cb -0.12 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.54 2p1y s LEU 408 CO 0.18 0.23 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.36 2p1y s HIS 409 N 0.08 2.22 -0.34 5.38 3.76 0.07 -2.31 115.29 124.16 2p1y s HIS 409 Ca 0.09 -1.50 -0.09 0.00 -0.15 0.00 0.00 55.06 53.41 2p1y s HIS 409 Cb -0.11 -1.54 0.02 0.00 1.11 0.00 0.00 32.58 32.06 2p1y s HIS 409 CO -0.01 -0.72 0.15 0.08 -0.85 0.00 0.00 174.74 173.39 2p1y s VAL 410 N 1.46 4.28 -0.19 -0.90 1.01 -1.26 -1.25 120.40 123.55 2p1y s VAL 410 Ca -0.02 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 2p1y s VAL 410 Cb -0.17 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2p1y s VAL 410 CO -0.08 -0.12 0.38 -0.76 0.00 0.00 0.00 175.10 174.52 2p1y s LEU 411 N 1.52 4.17 0.00 3.92 1.02 -0.18 -4.04 118.68 125.09 2p1y s LEU 411 Ca 0.02 0.51 0.08 0.00 0.02 0.00 0.00 54.13 54.76 2p1y s LEU 411 Cb -0.19 -2.48 0.49 0.00 0.02 0.00 0.00 46.19 44.03 2p1y s LEU 411 CO 0.05 -0.04 0.94 -0.81 0.02 0.00 0.00 176.35 176.51