#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n50 h ALA 7 N 0.00 1.07 0.00 0.00 0.00 -2.03 -1.00 119.26 117.29 1n50 h ALA 7 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1n50 h ALA 7 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1n50 h ALA 7 CO 0.00 0.38 -0.22 0.93 0.00 0.00 0.00 179.25 180.35 1n50 h GLU 8 N 0.00 0.00 0.00 0.00 5.08 -2.04 -2.59 114.58 115.03 1n50 h GLU 8 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1n50 h GLU 8 Cb 0.77 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1n50 h GLU 8 CO 0.04 0.22 -1.66 1.04 -1.00 0.00 0.00 179.01 177.64 1n50 n GLN 9 N -3.27 0.64 -0.06 2.33 1.13 -0.88 -3.17 117.38 114.09 1n50 n GLN 9 Ca 0.01 0.08 -0.12 0.00 -1.94 0.00 0.00 57.00 55.03 1n50 n GLN 9 Cb 0.49 -1.70 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 1n50 n GLN 9 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1n50 h TYR 10 N 0.00 0.39 -0.96 1.08 3.20 -1.13 -3.05 116.97 116.50 1n50 h TYR 10 Ca -0.18 -0.09 -0.49 0.00 3.14 0.00 0.00 58.73 61.11 1n50 h TYR 10 Cb 1.51 -0.09 -0.29 0.00 1.54 0.00 0.00 36.73 39.40 1n50 h TYR 10 CO 0.00 0.63 0.60 1.04 -1.64 0.00 0.00 178.16 178.80 1n50 n GLN 11 N -4.64 2.33 0.00 1.82 6.02 -0.98 -4.58 117.38 117.35 1n50 n GLN 11 Ca -0.05 -3.02 0.13 0.00 -0.01 0.00 0.00 57.00 54.04 1n50 n GLN 11 Cb 0.29 -2.17 0.25 0.00 1.02 0.00 0.00 30.24 29.63 1n50 n GLN 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n50 n GLY 12 N -1.09 0.58 3.87 1.08 0.00 -1.15 -4.98 105.19 103.50 1n50 n GLY 12 Ca 0.58 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1n50 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n50 s ALA 13 N -2.02 2.89 0.43 4.61 0.00 -1.26 -5.02 121.76 121.39 1n50 s ALA 13 Ca 0.31 -0.23 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 1n50 s ALA 13 Cb 0.20 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 20.19 1n50 s ALA 13 CO 0.33 -1.05 1.19 0.00 0.00 0.00 0.00 175.76 176.22 1n50 s ALA 14 N -3.27 3.08 0.54 0.00 0.00 -1.26 -4.99 121.76 115.86 1n50 s ALA 14 Ca 0.57 0.99 -0.19 0.00 0.00 0.00 0.00 51.96 53.34 1n50 s ALA 14 Cb -0.11 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 1n50 s ALA 14 CO 0.53 -0.64 1.10 0.45 0.00 0.00 0.00 175.76 177.20 1n50 s SER 15 N -1.18 5.86 0.00 0.00 0.15 -1.26 -4.90 113.70 112.36 1n50 s SER 15 Ca 0.60 2.09 0.20 0.00 0.70 0.00 0.00 55.95 59.54 1n50 s SER 15 Cb -0.31 -2.57 0.95 0.00 -1.71 0.00 0.00 66.02 62.38 1n50 s SER 15 CO 0.38 -1.12 1.64 0.00 1.20 0.00 0.00 173.24 175.34 1n50 n ALA 16 N -1.30 2.00 -2.28 5.45 0.00 -1.26 -4.73 120.51 118.39 1n50 n ALA 16 Ca 0.11 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 1n50 n ALA 16 Cb 0.51 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1n50 n ALA 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n50 s VAL 17 N -2.74 4.25 -0.34 0.00 1.01 -1.26 -5.01 120.40 116.31 1n50 s VAL 17 Ca 0.15 1.81 -0.25 0.00 0.00 0.00 0.00 61.98 63.69 1n50 s VAL 17 Cb 0.13 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1n50 s VAL 17 CO 0.33 0.25 0.86 -0.62 0.00 0.00 0.00 175.10 175.92 1n50 s ASP 18 N 0.26 6.68 0.40 3.32 2.15 -1.26 -4.94 116.67 123.28 1n50 s ASP 18 Ca 0.50 0.63 0.20 0.00 0.43 0.00 0.00 52.55 54.31 1n50 s ASP 18 Cb -0.26 -2.44 1.14 0.00 -0.30 0.00 0.00 42.92 41.06 1n50 s ASP 18 CO 0.31 -0.74 1.76 -0.65 -0.17 0.00 0.00 175.17 175.68 1n50 h PRO 19 N 8.28 0.35 0.00 4.34 0.11 -1.94 -0.10 132.00 143.03 1n50 h PRO 19 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1n50 h PRO 19 Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1n50 h PRO 19 CO 0.94 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.96 1n50 h ALA 20 N 1.62 1.00 -0.32 -0.75 0.00 -2.04 -2.01 119.26 116.76 1n50 h ALA 20 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1n50 h ALA 20 Cb 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1n50 h ALA 20 CO -0.31 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.66 1n50 n HIS 21 N -2.43 0.41 -3.58 0.00 8.25 -0.05 -4.82 115.22 112.99 1n50 n HIS 21 Ca 0.01 -0.23 -0.40 0.00 -0.26 0.00 0.00 57.72 56.84 1n50 n HIS 21 Cb 0.20 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.20 1n50 n HIS 21 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1n50 s VAL 22 N -1.45 4.91 -0.10 1.59 1.01 -0.76 -5.04 120.40 120.56 1n50 s VAL 22 Ca 0.34 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1n50 s VAL 22 Cb 0.21 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1n50 s VAL 22 CO 0.29 -0.05 0.29 0.68 0.00 0.00 0.00 175.10 176.30 1n50 s VAL 23 N 1.65 5.27 -0.00 2.92 -7.23 -1.26 -5.01 120.40 116.74 1n50 s VAL 23 Ca 0.05 0.55 -0.26 0.00 -1.81 0.00 0.00 61.98 60.50 1n50 s VAL 23 Cb -0.18 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 1n50 s VAL 23 CO 0.08 0.50 0.81 -0.60 -0.31 0.00 0.00 175.10 175.58 1n50 s ARG 24 N -0.34 4.51 0.06 4.82 3.52 -1.26 -5.06 118.95 125.19 1n50 s ARG 24 Ca 0.18 1.12 -0.10 0.00 -0.13 0.00 0.00 55.73 56.80 1n50 s ARG 24 Cb -0.14 -3.42 -0.06 0.00 -1.56 0.00 0.00 34.95 29.78 1n50 s ARG 24 CO 0.07 0.11 0.38 0.99 -0.81 0.00 0.00 175.30 176.04 1n50 s THR 25 N 0.53 5.11 -5.00 4.11 2.01 -1.26 -5.02 115.64 116.12 1n50 s THR 25 Ca 0.42 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1n50 s THR 25 Cb -0.20 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1n50 s THR 25 CO 0.23 0.33 0.00 -3.20 -0.69 0.00 0.00 174.62 171.29 1n50 n ASN 26 N 1.05 0.00 0.00 3.53 2.85 -1.26 -5.03 115.26 116.40 1n50 n ASN 26 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1n50 n ASN 26 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1n50 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1n50 n GLY 27 N -1.13 1.72 3.89 8.20 0.00 -1.26 -5.11 105.19 111.49 1n50 n GLY 27 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1n50 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n50 s ALA 28 N -2.00 3.76 0.08 4.61 0.00 -1.26 -5.04 121.76 121.90 1n50 s ALA 28 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 51.96 51.17 1n50 s ALA 28 Cb 0.00 -2.19 -0.09 0.00 0.00 0.00 0.00 23.12 20.84 1n50 s ALA 28 CO 0.00 0.62 1.78 -2.14 0.00 0.00 0.00 175.76 176.03 1n50 s PRO 29 N -2.38 4.16 0.28 0.00 0.02 -1.26 -4.90 135.00 130.92 1n50 s PRO 29 Ca 0.38 2.49 -0.30 0.00 0.02 0.00 0.00 61.00 63.59 1n50 s PRO 29 Cb -0.13 -3.71 -0.12 0.00 0.02 0.00 0.00 34.50 30.57 1n50 s PRO 29 CO 0.22 -0.83 1.59 -0.25 -0.33 0.00 0.00 177.00 177.40 1n50 n ASP 30 N 6.03 3.77 -3.73 2.53 8.00 -1.26 -4.94 116.55 126.95 1n50 n ASP 30 Ca 0.17 1.14 -0.13 0.00 0.71 0.00 0.00 54.79 56.69 1n50 n ASP 30 Cb 0.40 -1.58 -0.14 0.00 -0.02 0.00 0.00 41.12 39.78 1n50 n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n50 s MET 31 N -0.42 0.15 1.24 -1.24 0.23 -1.26 -5.13 119.30 112.87 1n50 s MET 31 Ca 0.65 0.50 -0.16 0.00 -1.03 0.00 0.00 55.69 55.64 1n50 s MET 31 Cb -0.51 -0.14 0.28 0.00 -1.53 0.00 0.00 34.83 32.92 1n50 s MET 31 CO 0.48 -0.18 0.74 -1.13 -2.03 0.00 0.00 175.02 172.90 1n50 n SER 32 N 4.37 -2.53 -0.02 -1.18 3.41 -1.26 -4.56 113.62 111.85 1n50 n SER 32 Ca -0.23 -0.34 -0.10 0.00 -0.26 0.00 0.00 58.87 57.94 1n50 n SER 32 Cb 0.52 -1.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.32 1n50 n SER 32 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1n50 h GLU 33 N -2.82 0.12 -0.67 4.33 4.81 -2.02 -0.90 114.58 117.43 1n50 h GLU 33 Ca -0.55 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 1n50 h GLU 33 Cb 1.31 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1n50 h GLU 33 CO 0.41 0.08 0.29 0.66 -0.73 0.00 0.00 179.01 179.71 1n50 h SER 34 N 0.12 0.89 -0.41 1.04 4.64 -1.98 -1.21 113.55 116.64 1n50 h SER 34 Ca 0.06 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 1n50 h SER 34 Cb 0.04 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1n50 h SER 34 CO -0.07 0.78 0.03 -0.33 -0.87 0.00 0.00 176.83 176.37 1n50 h GLU 35 N 0.97 0.70 -0.39 4.77 5.08 -1.83 0.45 114.58 124.32 1n50 h GLU 35 Ca 0.23 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1n50 h GLU 35 Cb 0.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1n50 h GLU 35 CO -0.02 0.77 -0.21 0.35 -1.00 0.00 0.00 179.01 178.89 1n50 h PHE 36 N 0.54 0.87 -0.13 4.33 3.04 -1.02 -2.10 116.94 122.48 1n50 h PHE 36 Ca 0.12 -0.19 -0.18 0.00 3.98 0.00 0.00 57.97 61.70 1n50 h PHE 36 Cb 0.43 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 1n50 h PHE 36 CO 0.03 0.91 -0.66 -0.91 -2.02 0.00 0.00 178.31 175.66 1n50 h ASN 37 N 0.68 0.58 -0.74 0.41 2.35 -1.14 -0.84 115.58 116.88 1n50 h ASN 37 Ca 0.10 -0.35 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 1n50 h ASN 37 Cb 0.72 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1n50 h ASN 37 CO 0.06 1.08 0.21 -0.08 -1.65 0.00 0.00 177.43 177.05 1n50 h GLU 38 N 0.36 1.16 -0.19 0.81 4.81 -0.69 -1.58 114.58 119.25 1n50 h GLU 38 Ca -0.02 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 1n50 h GLU 38 Cb 1.23 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1n50 h GLU 38 CO 0.12 0.99 -0.09 0.00 -0.73 0.00 0.00 179.01 179.30 1n50 h ALA 39 N 1.11 0.27 -0.73 2.92 0.00 -1.34 -2.62 119.26 118.87 1n50 h ALA 39 Ca 0.24 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1n50 h ALA 39 Cb 0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1n50 h ALA 39 CO -0.00 0.09 0.48 -0.22 0.00 0.00 0.00 179.25 179.60 1n50 h LYS 40 N 0.09 0.97 -0.13 0.00 3.64 -1.02 0.90 116.57 121.02 1n50 h LYS 40 Ca 0.04 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1n50 h LYS 40 Cb 0.58 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1n50 h LYS 40 CO 0.03 0.64 0.02 0.37 -2.27 0.00 0.00 179.45 178.24 1n50 h GLN 41 N 1.00 0.22 -0.91 1.90 4.15 -1.19 -2.88 115.11 117.40 1n50 h GLN 41 Ca 0.27 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1n50 h GLN 41 Cb -0.11 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.51 1n50 h GLN 41 CO -0.06 0.42 0.56 0.82 -1.93 0.00 0.00 178.83 178.64 1n50 h ILE 42 N -0.01 1.25 -0.42 2.39 2.04 -1.05 -1.82 117.51 119.89 1n50 h ILE 42 Ca 0.04 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1n50 h ILE 42 Cb 0.31 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1n50 h ILE 42 CO 0.00 0.25 0.25 0.22 0.00 0.00 0.00 178.15 178.88 1n50 h TYR 43 N 1.25 0.55 0.00 1.37 3.20 -0.64 0.16 116.97 122.85 1n50 h TYR 43 Ca 0.33 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.03 1n50 h TYR 43 Cb -0.07 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 1n50 h TYR 43 CO 0.00 0.38 -0.79 0.74 -1.64 0.00 0.00 178.16 176.85 1n50 h PHE 44 N 0.55 0.00 -0.14 -3.82 0.04 -1.32 0.33 116.94 112.59 1n50 h PHE 44 Ca 0.15 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.72 1n50 h PHE 44 Cb -0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1n50 h PHE 44 CO -0.04 0.79 -0.73 1.96 -0.60 0.00 0.00 178.31 179.70 1n50 h GLN 45 N 0.00 0.64 0.00 1.51 4.20 -0.98 -3.40 115.11 117.07 1n50 h GLN 45 Ca -0.01 -0.50 -0.13 0.00 0.06 0.00 0.00 58.65 58.07 1n50 h GLN 45 Cb 1.59 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.44 1n50 h GLN 45 CO 0.10 1.12 -1.48 0.54 -0.67 0.00 0.00 178.83 178.45 1n50 n ARG 46 N -3.90 2.65 -0.10 1.46 5.12 0.52 -4.92 116.66 117.49 1n50 n ARG 46 Ca -0.06 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.70 1n50 n ARG 46 Cb 0.72 -1.18 -0.08 0.00 -1.16 0.00 0.00 32.46 30.76 1n50 n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n50 h ALA 48 N -0.31 1.65 -0.92 0.00 0.00 -0.85 -2.12 119.26 116.72 1n50 h ALA 48 Ca -0.46 0.16 0.25 0.00 0.00 0.00 0.00 54.91 54.86 1n50 h ALA 48 Cb 1.57 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 19.31 1n50 h ALA 48 CO -0.17 -0.37 0.12 0.78 0.00 0.00 0.00 179.25 179.61 1n50 h GLY 49 N 0.44 1.28 0.00 0.00 0.00 -1.84 0.80 103.07 103.75 1n50 h GLY 49 Ca 0.62 0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.90 1n50 h GLY 49 CO -0.53 -0.45 -0.92 0.00 0.00 0.00 0.00 176.54 174.64 1n50 h HIS 51 N -1.00 0.00 0.00 0.00 3.86 -1.42 -2.81 115.15 113.78 1n50 h HIS 51 Ca -0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1n50 h HIS 51 Cb 0.93 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1n50 h HIS 51 CO -0.05 0.31 0.00 0.41 0.86 0.00 0.00 177.93 179.46 1n50 n GLY 52 N 0.15 -0.62 0.21 2.45 0.00 0.28 0.62 105.19 108.28 1n50 n GLY 52 Ca -0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 1n50 n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n50 h VAL 53 N 0.00 1.27 -0.62 1.61 2.07 -1.97 -2.95 116.25 115.66 1n50 h VAL 53 Ca 0.00 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1n50 h VAL 53 Cb 0.00 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1n50 h VAL 53 CO 0.00 0.37 0.00 0.18 0.02 0.00 0.00 177.57 178.14 1n50 n LEU 54 N -4.41 4.44 -3.47 2.57 4.77 -1.26 -4.83 117.00 114.81 1n50 n LEU 54 Ca -0.02 -2.24 -0.25 0.00 -0.03 0.00 0.00 56.01 53.47 1n50 n LEU 54 Cb 0.33 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.91 1n50 n LEU 54 CO 0.41 0.77 0.11 0.54 -1.33 0.00 0.00 177.39 177.90 1n50 n ARG 55 N 1.09 -6.02 -0.71 3.23 1.74 -1.12 -4.80 116.66 110.08 1n50 n ARG 55 Ca 0.24 0.76 0.05 0.00 -0.77 0.00 0.00 57.85 58.13 1n50 n ARG 55 Cb 0.83 -5.69 0.09 0.00 -1.02 0.00 0.00 32.46 26.66 1n50 n ARG 55 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1n50 n LYS 56 N -4.51 0.69 0.04 5.56 5.02 -0.62 -1.45 118.16 122.89 1n50 n LYS 56 Ca -0.02 -2.21 0.11 0.00 -2.02 0.00 0.00 58.31 54.17 1n50 n LYS 56 Cb 0.57 -0.87 -0.08 0.00 -0.02 0.00 0.00 35.03 34.64 1n50 n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n50 n GLY 57 N -0.46 -1.22 3.96 0.72 0.00 0.20 -4.94 105.19 103.44 1n50 n GLY 57 Ca 0.10 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1n50 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n50 s ALA 58 N -3.41 3.83 1.02 4.61 0.00 -1.06 -4.78 121.76 121.96 1n50 s ALA 58 Ca -0.03 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 1n50 s ALA 58 Cb 0.12 -2.07 0.20 0.00 0.00 0.00 0.00 23.12 21.37 1n50 s ALA 58 CO 0.85 -0.31 1.11 0.95 0.00 0.00 0.00 175.76 178.36 1n50 s THR 59 N -2.49 1.94 0.00 0.00 -4.23 -1.26 -4.85 115.64 104.76 1n50 s THR 59 Ca 0.47 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 1n50 s THR 59 Cb -0.10 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1n50 s THR 59 CO 0.37 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1n50 n GLY 60 N -1.37 -1.61 3.77 3.99 0.00 -1.26 -4.85 105.19 103.86 1n50 n GLY 60 Ca 0.07 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 1n50 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n50 s LYS 61 N 0.00 4.55 0.72 1.61 1.02 -1.26 -5.03 119.74 121.35 1n50 s LYS 61 Ca 0.00 1.61 -0.13 0.00 0.02 0.00 0.00 55.97 57.47 1n50 s LYS 61 Cb 0.00 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1n50 s LYS 61 CO 0.00 0.18 1.11 -1.25 -0.92 0.00 0.00 175.35 174.47 1n50 s PRO 62 N -1.76 2.46 -0.59 -1.68 0.04 -1.26 -4.95 135.00 127.26 1n50 s PRO 62 Ca 0.48 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 1n50 s PRO 62 Cb -0.26 -1.91 0.39 0.00 0.04 0.00 0.00 34.50 32.76 1n50 s PRO 62 CO 0.33 -1.50 2.03 1.28 0.04 0.00 0.00 177.00 179.18 1n50 n LEU 63 N -3.02 7.43 -4.87 -3.56 4.77 -0.53 -4.64 117.00 112.58 1n50 n LEU 63 Ca 0.10 -4.06 -0.31 0.00 -0.03 0.00 0.00 56.01 51.71 1n50 n LEU 63 Cb 0.52 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 1n50 n LEU 63 CO 0.51 1.41 0.39 0.42 -1.33 0.00 0.00 177.39 178.78 1n50 s THR 64 N -4.23 4.79 0.37 -5.08 -4.23 -1.26 -4.82 115.64 101.18 1n50 s THR 64 Ca 0.57 0.65 0.18 0.00 -1.18 0.00 0.00 61.69 61.92 1n50 s THR 64 Cb 0.45 -3.68 0.37 0.00 1.34 0.00 0.00 72.50 70.97 1n50 s THR 64 CO -0.01 -0.34 1.66 -0.65 -0.54 0.00 0.00 174.62 174.74 1n50 h PRO 65 N 1.76 0.26 -0.75 3.99 0.11 -1.80 -0.62 132.00 134.95 1n50 h PRO 65 Ca -0.47 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1n50 h PRO 65 Cb 1.18 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1n50 h PRO 65 CO 0.65 0.17 0.49 0.38 -0.21 0.00 0.00 178.00 179.48 1n50 h ASP 66 N 0.27 0.82 0.00 -2.05 2.03 -1.94 -1.35 116.42 114.21 1n50 h ASP 66 Ca 0.74 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 57.03 1n50 h ASP 66 Cb 1.86 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 40.17 1n50 h ASP 66 CO -0.55 0.58 -0.00 0.40 -1.03 0.00 0.00 179.24 178.64 1n50 h ILE 67 N 0.97 1.56 -0.71 4.15 5.03 -1.45 -3.12 117.51 123.94 1n50 h ILE 67 Ca 0.29 -2.12 0.06 0.00 -0.12 0.00 0.00 64.86 62.96 1n50 h ILE 67 Cb -0.05 2.93 -0.04 0.00 -3.03 0.00 0.00 36.82 36.63 1n50 h ILE 67 CO -0.09 0.52 0.47 0.71 -0.68 0.00 0.00 178.15 179.08 1n50 h THR 68 N -0.98 1.04 0.00 -0.27 1.35 -1.26 -0.64 112.91 112.15 1n50 h THR 68 Ca -0.00 -0.26 -0.10 0.00 -0.55 0.00 0.00 66.41 65.50 1n50 h THR 68 Cb 0.86 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 1n50 h THR 68 CO 0.00 0.14 -0.48 1.56 -0.25 0.00 0.00 175.52 176.49 1n50 h GLN 69 N 0.77 0.00 -0.09 4.72 4.20 -1.39 -2.06 115.11 121.25 1n50 h GLN 69 Ca 0.30 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 1n50 h GLN 69 Cb 0.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1n50 h GLN 69 CO -0.10 0.48 -0.13 0.37 -0.67 0.00 0.00 178.83 178.78 1n50 h GLN 70 N 0.00 0.26 -0.66 1.46 4.15 -1.10 -3.16 115.11 116.06 1n50 h GLN 70 Ca -0.00 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 1n50 h GLN 70 Cb 1.17 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 1n50 h GLN 70 CO 0.06 0.71 0.29 0.00 -1.93 0.00 0.00 178.83 177.97 1n50 h ARG 71 N -0.18 0.95 0.00 1.69 2.47 -1.17 -3.49 114.38 114.65 1n50 h ARG 71 Ca 0.01 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1n50 h ARG 71 Cb 0.69 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1n50 h ARG 71 CO 0.03 0.76 0.00 0.41 0.56 0.00 0.00 179.97 181.73 1n50 n GLY 72 N -1.05 0.30 0.29 0.04 0.00 -0.78 -4.25 105.19 99.72 1n50 n GLY 72 Ca 0.06 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 1n50 n GLY 72 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1n50 h GLN 73 N 0.00 -0.64 -0.35 1.61 5.75 -1.90 -2.92 115.11 116.67 1n50 h GLN 73 Ca 0.00 0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.46 1n50 h GLN 73 Cb 0.00 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1n50 h GLN 73 CO 0.00 -0.43 -0.13 1.96 -2.65 0.00 0.00 178.83 177.58 1n50 h GLN 74 N -0.66 0.61 -0.19 1.69 1.08 -1.99 -1.73 115.11 113.92 1n50 h GLN 74 Ca -0.06 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 1n50 h GLN 74 Cb 0.52 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1n50 h GLN 74 CO 0.09 0.73 0.08 -0.92 -0.95 0.00 0.00 178.83 177.86 1n50 h TYR 75 N 0.56 0.29 -0.36 2.96 5.03 -1.74 -0.47 116.97 123.24 1n50 h TYR 75 Ca 0.10 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.40 1n50 h TYR 75 Cb 0.56 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 1n50 h TYR 75 CO 0.02 0.32 0.21 -0.07 -1.32 0.00 0.00 178.16 177.33 1n50 h LEU 76 N 0.17 0.35 -1.08 2.82 3.38 -1.38 0.83 115.31 120.40 1n50 h LEU 76 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1n50 h LEU 76 Cb 0.15 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1n50 h LEU 76 CO -0.01 0.25 0.43 -0.33 0.09 0.00 0.00 178.44 178.88 1n50 h GLU 77 N 0.43 1.07 -0.33 1.13 5.08 -1.08 0.83 114.58 121.71 1n50 h GLU 77 Ca 0.14 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1n50 h GLU 77 Cb -0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1n50 h GLU 77 CO -0.06 0.78 -0.25 0.00 -1.00 0.00 0.00 179.01 178.48 1n50 h ALA 78 N 1.39 0.48 -0.03 3.43 0.00 -0.64 -1.15 119.26 122.74 1n50 h ALA 78 Ca 0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1n50 h ALA 78 Cb 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1n50 h ALA 78 CO -0.05 0.47 -0.00 1.25 0.00 0.00 0.00 179.25 180.92 1n50 h LEU 79 N 0.53 0.05 -1.38 0.00 6.46 -0.49 -1.65 115.31 118.83 1n50 h LEU 79 Ca 0.06 -0.32 0.04 0.00 -0.12 0.00 0.00 57.88 57.54 1n50 h LEU 79 Cb 0.81 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.69 1n50 h LEU 79 CO 0.07 0.36 0.45 0.40 -0.62 0.00 0.00 178.44 179.10 1n50 h ILE 80 N -0.26 1.09 -0.11 4.05 2.04 -0.83 0.28 117.51 123.77 1n50 h ILE 80 Ca 0.01 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1n50 h ILE 80 Cb 0.34 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1n50 h ILE 80 CO 0.00 0.15 -0.01 0.74 0.00 0.00 0.00 178.15 179.03 1n50 h THR 81 N 0.80 1.27 0.00 -0.27 2.02 -1.06 -1.91 112.91 113.76 1n50 h THR 81 Ca 0.27 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1n50 h THR 81 Cb 0.08 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1n50 h THR 81 CO -0.08 0.25 -0.77 -1.22 0.37 0.00 0.00 175.52 174.07 1n50 n TYR 82 N -4.78 0.00 -4.68 3.16 4.01 -0.63 -1.19 117.16 113.05 1n50 n TYR 82 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1n50 n TYR 82 Cb 0.22 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1n50 n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n50 n GLY 83 N 1.38 -0.64 3.12 2.72 0.00 0.97 -4.33 105.19 108.41 1n50 n GLY 83 Ca 0.03 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 1n50 n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n50 s THR 84 N 0.00 0.19 -1.66 2.61 -4.23 0.13 -4.90 115.64 107.79 1n50 s THR 84 Ca 0.00 -1.55 0.24 0.00 -1.18 0.00 0.00 61.69 59.20 1n50 s THR 84 Cb 0.00 -1.36 0.52 0.00 1.34 0.00 0.00 72.50 73.00 1n50 s THR 84 CO 0.00 -0.85 1.78 -0.81 -0.54 0.00 0.00 174.62 174.20 1n50 n PRO 85 N 0.19 0.50 -1.26 3.99 -0.04 -1.26 -3.47 135.00 133.65 1n50 n PRO 85 Ca -0.15 0.04 -0.28 0.00 -0.04 0.00 0.00 63.50 63.07 1n50 n PRO 85 Cb 0.61 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.71 1n50 n PRO 85 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n50 n LEU 86 N -1.17 7.03 0.00 1.53 4.77 -1.26 -4.86 117.00 123.03 1n50 n LEU 86 Ca 0.14 -3.87 0.00 0.00 -0.03 0.00 0.00 56.01 52.25 1n50 n LEU 86 Cb 0.14 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1n50 n LEU 86 CO 0.16 1.21 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 1n50 n GLY 87 N -1.06 0.51 3.43 -0.72 0.00 -1.24 -5.03 105.19 101.07 1n50 n GLY 87 Ca 0.60 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.19 1n50 n GLY 87 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n50 s MET 88 N -0.77 3.03 0.76 1.61 0.00 -1.23 -5.00 119.30 117.70 1n50 s MET 88 Ca 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 55.69 54.46 1n50 s MET 88 Cb 0.00 -4.07 0.05 0.00 0.00 0.00 0.00 34.83 30.81 1n50 s MET 88 CO 0.00 -0.99 1.19 -0.35 0.00 0.00 0.00 175.02 174.88 1n50 n PRO 89 N 5.48 0.47 -3.21 4.11 -0.04 -1.26 -0.69 135.00 139.87 1n50 n PRO 89 Ca -0.10 0.23 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 1n50 n PRO 89 Cb 0.45 -2.43 -0.08 0.00 -0.04 0.00 0.00 33.50 31.40 1n50 n PRO 89 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1n50 s ASN 90 N -1.86 6.26 0.27 3.54 2.20 -1.26 -4.09 114.94 119.99 1n50 s ASN 90 Ca 0.76 -0.53 0.21 0.00 -0.94 0.00 0.00 52.86 52.36 1n50 s ASN 90 Cb -0.32 -2.27 0.09 0.00 -2.00 0.00 0.00 41.25 36.75 1n50 s ASN 90 CO 0.48 -0.70 1.23 -0.50 -2.94 0.00 0.00 177.10 174.68 1n50 h TRP 91 N 8.82 0.00 0.00 1.54 4.06 -1.23 -3.21 115.95 125.93 1n50 h TRP 91 Ca -0.26 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.39 1n50 h TRP 91 Cb 1.10 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.22 1n50 h TRP 91 CO 0.68 0.13 -1.66 0.41 -3.56 0.00 0.00 178.44 174.44 1n50 n GLY 92 N 1.19 -0.71 0.23 1.49 0.00 -0.33 -1.05 105.19 106.01 1n50 n GLY 92 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1n50 n GLY 92 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n50 h SER 93 N -1.00 0.15 0.47 1.61 0.02 -1.57 -0.32 113.55 112.91 1n50 h SER 93 Ca -0.45 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.51 1n50 h SER 93 Cb 1.37 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.99 1n50 h SER 93 CO -0.27 0.09 -0.38 0.77 -1.14 0.00 0.00 176.83 175.90 1n50 h SER 94 N 0.36 0.00 0.00 3.07 4.64 -1.77 -3.47 113.55 116.38 1n50 h SER 94 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1n50 h SER 94 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1n50 h SER 94 CO -0.34 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1n50 n GLY 95 N -0.30 0.89 0.06 -0.77 0.00 -0.13 -4.99 105.19 99.95 1n50 n GLY 95 Ca -0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1n50 n GLY 95 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n50 h GLU 96 N 3.11 0.04 -6.43 1.61 4.57 -1.69 -3.45 114.58 112.33 1n50 h GLU 96 Ca 0.00 -0.01 -0.62 0.00 -1.18 0.00 0.00 59.36 57.55 1n50 h GLU 96 Cb 0.00 -0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.44 1n50 h GLU 96 CO 0.00 0.29 -0.73 -0.51 -1.18 0.00 0.00 179.01 176.88 1n50 s LEU 97 N -9.67 2.90 0.69 1.64 1.43 -0.21 -5.06 118.68 110.40 1n50 s LEU 97 Ca -0.14 -0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 52.23 1n50 s LEU 97 Cb 0.04 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.74 1n50 s LEU 97 CO 0.67 0.09 1.02 -0.94 0.23 0.00 0.00 176.35 177.43 1n50 s SER 98 N -2.91 5.02 0.35 2.29 1.04 -1.26 -4.50 113.70 113.73 1n50 s SER 98 Ca 0.25 0.63 0.11 0.00 0.48 0.00 0.00 55.95 57.42 1n50 s SER 98 Cb -0.08 -1.35 0.65 0.00 0.10 0.00 0.00 66.02 65.34 1n50 s SER 98 CO 0.15 -1.49 1.79 0.11 0.98 0.00 0.00 173.24 174.78 1n50 h LYS 99 N -0.57 0.05 -0.30 4.02 1.79 -1.97 -0.32 116.57 119.27 1n50 h LYS 99 Ca -0.45 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 57.89 1n50 h LYS 99 Cb 1.30 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1n50 h LYS 99 CO 0.61 0.43 -0.29 0.93 -1.08 0.00 0.00 179.45 180.06 1n50 h GLU 100 N 0.04 0.62 0.11 3.15 3.07 -1.99 -0.62 114.58 118.96 1n50 h GLU 100 Ca 0.00 -0.26 -0.29 0.00 -0.50 0.00 0.00 59.36 58.31 1n50 h GLU 100 Cb 0.70 -0.02 0.02 0.00 -0.84 0.00 0.00 28.75 28.61 1n50 h GLU 100 CO 0.05 0.84 -1.21 1.96 -1.40 0.00 0.00 179.01 179.25 1n50 h GLN 101 N 0.53 0.52 -0.25 2.33 4.20 -1.82 -2.57 115.11 118.05 1n50 h GLN 101 Ca 0.07 -0.71 -0.06 0.00 0.06 0.00 0.00 58.65 58.00 1n50 h GLN 101 Cb 0.77 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1n50 h GLN 101 CO 0.06 1.31 -0.12 0.82 -0.67 0.00 0.00 178.83 180.23 1n50 h ILE 102 N 0.23 1.22 -0.61 2.54 2.04 -0.95 0.52 117.51 122.49 1n50 h ILE 102 Ca -0.17 -0.96 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1n50 h ILE 102 Cb 1.89 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 1n50 h ILE 102 CO 0.22 0.31 0.11 0.74 0.00 0.00 0.00 178.15 179.53 1n50 h THR 103 N 0.39 1.26 -0.48 -0.27 2.02 -1.05 -1.22 112.91 113.56 1n50 h THR 103 Ca 0.07 -0.99 -0.09 0.00 0.77 0.00 0.00 66.41 66.17 1n50 h THR 103 Cb 0.46 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1n50 h THR 103 CO 0.03 0.37 -0.07 -0.07 0.37 0.00 0.00 175.52 176.15 1n50 h LEU 104 N 0.92 0.83 -0.56 2.58 3.38 -0.94 -2.29 115.31 119.23 1n50 h LEU 104 Ca 0.19 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1n50 h LEU 104 Cb 0.42 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1n50 h LEU 104 CO 0.01 0.93 -0.08 0.24 0.09 0.00 0.00 178.44 179.63 1n50 h MET 105 N 0.77 1.04 -0.76 1.13 2.86 -0.64 0.27 114.93 119.60 1n50 h MET 105 Ca 0.13 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1n50 h MET 105 Cb 0.56 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1n50 h MET 105 CO 0.03 1.07 0.39 0.00 1.06 0.00 0.00 176.91 179.46 1n50 h ALA 106 N 0.94 0.98 -0.31 6.32 0.00 -0.93 -2.21 119.26 124.04 1n50 h ALA 106 Ca 0.15 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1n50 h ALA 106 Cb 0.65 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1n50 h ALA 106 CO 0.05 0.52 -0.42 0.87 0.00 0.00 0.00 179.25 180.26 1n50 h LYS 107 N 1.06 0.77 0.06 0.00 1.57 -1.27 -3.31 116.57 115.45 1n50 h LYS 107 Ca 0.26 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1n50 h LYS 107 Cb 0.08 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1n50 h LYS 107 CO -0.04 1.04 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.93 1n50 h TYR 108 N 0.63 -0.08 0.00 -1.35 3.20 -0.55 -2.58 116.97 116.24 1n50 h TYR 108 Ca 0.05 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1n50 h TYR 108 Cb 0.98 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.27 1n50 h TYR 108 CO 0.05 0.03 0.00 0.44 -1.64 0.00 0.00 178.16 177.05 1n50 n ILE 109 N -5.09 0.21 1.26 1.81 -5.35 -0.87 -1.94 119.36 109.40 1n50 n ILE 109 Ca -0.08 0.05 0.13 0.00 -0.27 0.00 0.00 62.75 62.58 1n50 n ILE 109 Cb 0.10 -0.82 0.39 0.00 -1.74 0.00 0.00 39.64 37.57 1n50 n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1n50 n GLN 110 N -1.10 0.91 -3.87 6.28 6.02 -0.97 -4.17 117.38 120.47 1n50 n GLN 110 Ca 0.10 -0.53 -0.21 0.00 -0.01 0.00 0.00 57.00 56.35 1n50 n GLN 110 Cb 0.07 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 1n50 n GLN 110 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1n50 s HIS 111 N -2.46 3.29 0.45 1.08 3.76 -0.82 -4.54 115.29 116.04 1n50 s HIS 111 Ca 0.25 -0.09 -0.25 0.00 -0.15 0.00 0.00 55.06 54.82 1n50 s HIS 111 Cb 0.19 -1.65 -0.08 0.00 1.11 0.00 0.00 32.58 32.15 1n50 s HIS 111 CO 0.50 0.34 1.40 0.99 -0.85 0.00 0.00 174.74 177.12 1n50 s THR 112 N -2.07 2.19 0.11 1.30 2.01 -1.26 -4.55 115.64 113.37 1n50 s THR 112 Ca 0.37 0.17 -0.31 0.00 0.31 0.00 0.00 61.69 62.22 1n50 s THR 112 Cb -0.09 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 1n50 s THR 112 CO 0.29 0.02 1.54 -2.84 -0.69 0.00 0.00 174.62 172.94 1n50 s PRO 113 N -2.44 4.24 0.73 4.92 0.02 -1.26 -4.96 135.00 136.25 1n50 s PRO 113 Ca 0.61 2.26 -0.15 0.00 0.02 0.00 0.00 61.00 63.74 1n50 s PRO 113 Cb -0.42 -3.35 0.04 0.00 0.02 0.00 0.00 34.50 30.79 1n50 s PRO 113 CO 0.54 -0.61 1.23 -2.14 -0.33 0.00 0.00 177.00 175.69 1n50 s PRO 114 N 1.70 2.08 -0.19 5.54 0.02 -1.26 -4.97 135.00 137.91 1n50 s PRO 114 Ca 0.70 1.84 -0.07 0.00 0.02 0.00 0.00 61.00 63.48 1n50 s PRO 114 Cb -0.40 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 1n50 s PRO 114 CO 0.31 -1.90 0.05 -0.65 -0.33 0.00 0.00 177.00 174.48 1n50 s GLN 115 N -3.85 3.86 0.55 5.54 -1.52 -1.26 -4.94 119.66 118.05 1n50 s GLN 115 Ca 0.76 -0.40 -0.15 0.00 -1.95 0.00 0.00 55.36 53.62 1n50 s GLN 115 Cb -0.31 -3.20 -0.06 0.00 -0.22 0.00 0.00 33.01 29.21 1n50 s GLN 115 CO 0.45 0.16 1.01 -2.14 -0.25 0.00 0.00 175.29 174.52 1n50 s PRO 116 N 0.67 3.77 0.72 2.91 0.02 -1.26 -5.02 135.00 136.80 1n50 s PRO 116 Ca 0.03 0.94 -0.12 0.00 0.02 0.00 0.00 61.00 61.86 1n50 s PRO 116 Cb -0.13 -2.11 0.03 0.00 0.02 0.00 0.00 34.50 32.31 1n50 s PRO 116 CO 0.02 -0.43 1.09 -1.25 -0.33 0.00 0.00 177.00 176.11 1n50 s PRO 117 N -4.35 2.56 0.53 5.54 0.04 -1.26 -5.04 135.00 133.02 1n50 s PRO 117 Ca 0.59 1.24 -0.09 0.00 0.04 0.00 0.00 61.00 62.78 1n50 s PRO 117 Cb -0.11 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.63 1n50 s PRO 117 CO 0.38 -1.42 0.69 0.39 0.04 0.00 0.00 177.00 177.08 1n50 n GLU 118 N -3.00 -0.87 -3.22 4.56 -0.58 -1.26 -4.82 120.64 111.45 1n50 n GLU 118 Ca 0.09 -1.07 -0.05 0.00 -0.42 0.00 0.00 57.16 55.72 1n50 n GLU 118 Cb 0.53 -0.74 -0.03 0.00 -0.57 0.00 0.00 31.44 30.63 1n50 n GLU 118 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 1n50 s TRP 119 N -2.48 -1.28 0.00 -0.32 -0.11 -1.26 -4.99 118.94 108.51 1n50 s TRP 119 Ca 0.40 -0.15 0.00 0.00 1.22 0.00 0.00 56.10 57.56 1n50 s TRP 119 Cb -0.01 0.10 0.00 0.00 -1.50 0.00 0.00 33.47 32.05 1n50 s TRP 119 CO 0.28 -1.12 0.00 0.41 -4.62 0.00 0.00 176.95 171.90 1n50 n GLY 120 N 4.23 2.71 0.36 5.86 0.00 -1.26 -4.85 105.19 112.23 1n50 n GLY 120 Ca 0.12 -2.01 0.06 0.00 0.00 0.00 0.00 46.02 44.19 1n50 n GLY 120 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1n50 h MET 121 N 0.00 0.81 -0.35 1.61 4.05 -2.01 0.10 114.93 119.15 1n50 h MET 121 Ca 0.00 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 1n50 h MET 121 Cb 0.00 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.60 1n50 h MET 121 CO 0.00 0.54 -0.04 -1.35 0.23 0.00 0.00 176.91 176.29 1n50 h PRO 122 N 0.84 0.65 -0.41 0.39 0.11 -1.99 -0.82 132.00 130.77 1n50 h PRO 122 Ca 0.34 -0.23 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 1n50 h PRO 122 Cb 0.26 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1n50 h PRO 122 CO -0.12 0.78 -0.05 0.93 -0.21 0.00 0.00 178.00 179.34 1n50 h GLU 123 N 0.45 0.69 -0.26 1.05 3.07 -1.79 -1.23 114.58 116.57 1n50 h GLU 123 Ca 0.10 -0.19 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 1n50 h GLU 123 Cb 0.52 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1n50 h GLU 123 CO 0.03 0.74 -0.15 0.52 -1.40 0.00 0.00 179.01 178.75 1n50 h MET 124 N 0.64 0.55 -0.23 2.33 2.86 -0.71 -2.72 114.93 117.66 1n50 h MET 124 Ca 0.12 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 1n50 h MET 124 Cb 0.47 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1n50 h MET 124 CO 0.02 0.82 -0.39 0.00 1.06 0.00 0.00 176.91 178.42 1n50 h ARG 125 N 0.28 0.52 -0.40 1.72 3.08 -0.99 -1.34 114.38 117.24 1n50 h ARG 125 Ca 0.05 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.88 1n50 h ARG 125 Cb 0.67 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1n50 h ARG 125 CO 0.04 0.83 0.21 1.49 -1.07 0.00 0.00 179.97 181.47 1n50 h GLU 126 N 0.43 0.42 0.00 0.04 4.57 -1.22 -2.48 114.58 116.34 1n50 h GLU 126 Ca 0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1n50 h GLU 126 Cb 0.87 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1n50 h GLU 126 CO 0.07 0.27 0.00 0.66 -1.18 0.00 0.00 179.01 178.84 1n50 h SER 127 N 0.43 0.00 -2.91 1.04 4.64 -1.35 -3.45 113.55 111.95 1n50 h SER 127 Ca 0.17 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.96 1n50 h SER 127 Cb 0.06 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.19 1n50 h SER 127 CO -0.11 0.00 0.84 0.86 -0.87 0.00 0.00 176.83 177.55 1n50 s TRP 128 N -3.33 3.10 -0.04 4.77 -0.00 -0.52 -4.34 118.94 118.58 1n50 s TRP 128 Ca 0.06 0.73 -0.01 0.00 -0.00 0.00 0.00 56.10 56.87 1n50 s TRP 128 Cb 0.07 -3.87 0.03 0.00 -0.00 0.00 0.00 33.47 29.70 1n50 s TRP 128 CO 0.63 -3.14 0.04 0.15 -0.00 0.00 0.00 176.95 174.63 1n50 s LYS 129 N 1.01 0.09 -0.38 5.86 1.02 -0.27 -4.98 119.74 122.09 1n50 s LYS 129 Ca 0.68 0.27 -0.18 0.00 0.02 0.00 0.00 55.97 56.76 1n50 s LYS 129 Cb -0.42 -0.55 0.01 0.00 -0.52 0.00 0.00 37.83 36.34 1n50 s LYS 129 CO 0.32 -0.28 0.51 0.08 -0.92 0.00 0.00 175.35 175.06 1n50 s VAL 130 N 1.86 5.00 0.01 3.17 1.01 -1.26 -1.74 120.40 128.46 1n50 s VAL 130 Ca 0.01 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1n50 s VAL 130 Cb -0.12 -4.02 -0.33 0.00 0.00 0.00 0.00 36.38 31.91 1n50 s VAL 130 CO -0.03 -0.33 0.91 -0.07 0.00 0.00 0.00 175.10 175.58 1n50 h LEU 131 N 9.18 0.71 -7.28 3.92 3.38 -0.14 -3.45 115.31 121.64 1n50 h LEU 131 Ca -0.27 -0.85 -0.44 0.00 0.09 0.00 0.00 57.88 56.41 1n50 h LEU 131 Cb 1.12 -0.23 -0.39 0.00 0.09 0.00 0.00 40.66 41.24 1n50 h LEU 131 CO 0.80 1.68 -0.76 -0.69 0.09 0.00 0.00 178.44 179.56 1n50 s VAL 132 N -2.60 0.17 0.41 1.22 1.01 -0.44 -5.00 120.40 115.16 1n50 s VAL 132 Ca -0.10 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 1n50 s VAL 132 Cb 0.05 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 1n50 s VAL 132 CO 0.91 -0.01 1.42 -0.54 0.00 0.00 0.00 175.10 176.89 1n50 s LYS 133 N 2.04 3.94 0.49 2.72 1.02 -1.26 -4.83 119.74 123.86 1n50 s LYS 133 Ca 0.03 2.43 0.28 0.00 0.02 0.00 0.00 55.97 58.72 1n50 s LYS 133 Cb -0.14 -2.82 1.35 0.00 -0.52 0.00 0.00 37.83 35.70 1n50 s LYS 133 CO -0.06 -0.62 1.83 -1.00 -0.92 0.00 0.00 175.35 174.58 1n50 h PRO 134 N 2.71 0.15 -0.14 -1.68 0.13 -1.96 0.52 132.00 131.73 1n50 h PRO 134 Ca -0.51 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 1n50 h PRO 134 Cb 1.25 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1n50 h PRO 134 CO 0.63 0.10 -0.50 1.05 -0.23 0.00 0.00 178.00 179.04 1n50 h GLU 135 N 0.16 0.37 -0.09 0.86 9.09 -2.00 -2.91 114.58 120.06 1n50 h GLU 135 Ca 0.52 -0.22 0.00 0.00 0.05 0.00 0.00 59.36 59.71 1n50 h GLU 135 Cb 1.76 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.87 1n50 h GLU 135 CO -0.11 0.79 0.00 -0.25 0.05 0.00 0.00 179.01 179.50 1n50 n ASP 136 N -3.96 0.81 -4.88 3.06 9.92 0.14 -4.88 116.55 116.76 1n50 n ASP 136 Ca -0.02 -1.60 -0.34 0.00 -0.53 0.00 0.00 54.79 52.31 1n50 n ASP 136 Cb 0.56 -0.06 -0.05 0.00 -0.64 0.00 0.00 41.12 40.93 1n50 n ASP 136 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1n50 s ARG 137 N -1.89 3.70 0.57 -1.24 0.52 -1.03 -4.89 118.95 114.70 1n50 s ARG 137 Ca 0.28 0.08 -0.19 0.00 -0.52 0.00 0.00 55.73 55.38 1n50 s ARG 137 Cb 0.14 -2.95 -0.07 0.00 0.52 0.00 0.00 34.95 32.59 1n50 s ARG 137 CO 0.22 0.53 0.81 -0.35 0.02 0.00 0.00 175.30 176.53 1n50 n PRO 138 N 0.66 0.80 0.00 3.54 -0.04 -1.26 -4.92 135.00 133.77 1n50 n PRO 138 Ca -0.06 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 1n50 n PRO 138 Cb 0.52 -1.98 0.04 0.00 -0.04 0.00 0.00 33.50 32.04 1n50 n PRO 138 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1n50 n LYS 139 N -0.53 0.11 -4.15 0.54 5.02 -1.26 -4.95 118.16 112.93 1n50 n LYS 139 Ca 0.13 -0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 1n50 n LYS 139 Cb 0.46 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 1n50 n LYS 139 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1n50 s LYS 140 N -2.95 1.29 -0.30 1.97 1.02 -1.26 -5.11 119.74 114.40 1n50 s LYS 140 Ca 0.10 -1.54 -0.29 0.00 0.02 0.00 0.00 55.97 54.26 1n50 s LYS 140 Cb 0.17 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.80 1n50 s LYS 140 CO 0.78 -0.45 1.31 -1.14 -0.92 0.00 0.00 175.35 174.92 1n50 s GLN 141 N -4.12 3.91 -0.26 1.68 0.74 -1.26 -4.79 119.66 115.56 1n50 s GLN 141 Ca 0.35 1.26 0.07 0.00 0.05 0.00 0.00 55.36 57.08 1n50 s GLN 141 Cb 0.05 -3.88 0.56 0.00 1.10 0.00 0.00 33.01 30.84 1n50 s GLN 141 CO 0.11 -1.12 1.57 1.28 -0.55 0.00 0.00 175.29 176.59 1n50 n LEU 142 N 7.64 5.24 -4.15 3.68 4.77 0.55 -4.92 117.00 129.81 1n50 n LEU 142 Ca 0.15 -2.73 -0.11 0.00 -0.03 0.00 0.00 56.01 53.29 1n50 n LEU 142 Cb 0.47 -0.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.76 1n50 n LEU 142 CO 0.63 0.73 -0.17 0.54 -1.33 0.00 0.00 177.39 177.80 1n50 s ASN 143 N -0.66 0.13 -0.00 -1.43 2.20 -1.26 -4.30 114.94 109.62 1n50 s ASN 143 Ca 0.42 -1.27 0.21 0.00 -0.94 0.00 0.00 52.86 51.28 1n50 s ASN 143 Cb 0.34 0.41 0.60 0.00 -2.00 0.00 0.00 41.25 40.59 1n50 s ASN 143 CO 0.10 -0.88 1.50 0.47 -2.94 0.00 0.00 177.10 175.35 1n50 n ASP 144 N -0.26 3.62 -4.77 3.54 8.00 -1.26 -4.99 116.55 120.43 1n50 n ASP 144 Ca 0.00 -2.00 -0.40 0.00 0.71 0.00 0.00 54.79 53.10 1n50 n ASP 144 Cb 0.65 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 1n50 n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n50 s LEU 145 N -1.01 4.26 -1.03 0.64 1.43 -1.26 -4.93 118.68 116.78 1n50 s LEU 145 Ca 0.45 2.65 -0.17 0.00 -1.03 0.00 0.00 54.13 56.03 1n50 s LEU 145 Cb 0.24 -3.86 0.15 0.00 0.03 0.00 0.00 46.19 42.75 1n50 s LEU 145 CO 0.31 -0.77 1.23 -0.62 0.23 0.00 0.00 176.35 176.72 1n50 s ASP 146 N -0.71 6.79 0.15 2.29 2.15 -1.26 -4.89 116.67 121.20 1n50 s ASP 146 Ca 0.55 -2.41 -0.16 0.00 0.43 0.00 0.00 52.55 50.96 1n50 s ASP 146 Cb -0.38 -2.39 0.05 0.00 -0.30 0.00 0.00 42.92 39.90 1n50 s ASP 146 CO 0.49 -0.93 1.75 -0.07 -0.17 0.00 0.00 175.17 176.24 1n50 h LEU 147 N 10.08 0.14 -2.42 -1.34 3.38 -1.96 -2.83 115.31 120.37 1n50 h LEU 147 Ca 0.21 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1n50 h LEU 147 Cb 0.97 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1n50 h LEU 147 CO 1.15 0.12 0.17 1.55 0.09 0.00 0.00 178.44 181.51 1n50 h PRO 148 N 0.28 0.00 -0.36 1.13 0.13 -1.93 -1.53 132.00 129.73 1n50 h PRO 148 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1n50 h PRO 148 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1n50 h PRO 148 CO -0.16 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 175.90 1n50 n ASN 149 N -3.31 4.42 -4.79 1.44 5.15 -1.07 -1.62 115.26 115.49 1n50 n ASN 149 Ca -0.01 -2.97 -0.39 0.00 -0.60 0.00 0.00 54.58 50.62 1n50 n ASN 149 Cb 0.25 -0.58 -0.06 0.00 -0.53 0.00 0.00 39.78 38.86 1n50 n ASN 149 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1n50 s LEU 150 N -2.76 4.55 -0.15 1.20 2.96 -0.57 -1.91 118.68 122.00 1n50 s LEU 150 Ca 0.46 1.50 -0.04 0.00 -0.22 0.00 0.00 54.13 55.83 1n50 s LEU 150 Cb 0.36 -3.19 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 1n50 s LEU 150 CO 0.11 0.22 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.98 1n50 s PHE 151 N -1.17 3.07 -0.44 5.38 0.40 -0.32 -0.73 117.98 124.17 1n50 s PHE 151 Ca 0.34 -0.20 -0.16 0.00 -0.60 0.00 0.00 56.93 56.31 1n50 s PHE 151 Cb -0.21 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.39 1n50 s PHE 151 CO 0.23 0.03 0.41 0.45 0.70 0.00 0.00 175.22 177.05 1n50 s SER 152 N 0.27 6.16 -0.10 1.36 0.15 -0.15 -1.36 113.70 120.03 1n50 s SER 152 Ca -0.02 -0.92 -0.06 0.00 0.70 0.00 0.00 55.95 55.66 1n50 s SER 152 Cb -0.14 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1n50 s SER 152 CO 0.02 -0.60 0.11 -0.69 1.20 0.00 0.00 173.24 173.29 1n50 s VAL 153 N 1.95 5.25 -0.31 4.45 1.01 -0.28 -1.58 120.40 130.89 1n50 s VAL 153 Ca 0.09 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1n50 s VAL 153 Cb -0.20 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1n50 s VAL 153 CO 0.11 0.59 0.57 -0.89 0.00 0.00 0.00 175.10 175.47 1n50 s THR 154 N -1.03 4.99 -1.18 3.92 2.01 -0.57 -0.56 115.64 123.22 1n50 s THR 154 Ca 0.16 0.69 -0.10 0.00 0.31 0.00 0.00 61.69 62.75 1n50 s THR 154 Cb -0.12 -3.95 0.23 0.00 0.01 0.00 0.00 72.50 68.67 1n50 s THR 154 CO 0.05 -0.12 1.46 0.18 -0.69 0.00 0.00 174.62 175.50 1n50 n LEU 155 N 5.77 5.84 0.00 4.42 4.77 -0.68 -1.32 117.00 135.81 1n50 n LEU 155 Ca -0.03 -4.80 0.00 0.00 -0.03 0.00 0.00 56.01 51.15 1n50 n LEU 155 Cb 0.49 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1n50 n LEU 155 CO 0.44 1.22 0.23 -1.14 -1.33 0.00 0.00 177.39 176.81 1n50 n ARG 156 N 3.66 0.00 0.11 3.23 0.63 -0.80 -2.44 116.66 121.05 1n50 n ARG 156 Ca 0.32 0.45 0.08 0.00 -0.92 0.00 0.00 57.85 57.78 1n50 n ARG 156 Cb 0.39 -0.85 0.41 0.00 0.45 0.00 0.00 32.46 32.85 1n50 n ARG 156 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1n50 n ASP 157 N -1.17 0.39 0.08 6.15 9.92 -1.26 -2.12 116.55 128.54 1n50 n ASP 157 Ca 0.00 0.67 0.12 0.00 -0.53 0.00 0.00 54.79 55.05 1n50 n ASP 157 Cb 0.00 -0.73 0.09 0.00 -0.64 0.00 0.00 41.12 39.85 1n50 n ASP 157 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n50 h ALA 158 N 2.03 0.54 -4.40 2.24 0.00 -1.74 -3.47 119.26 114.46 1n50 h ALA 158 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1n50 h ALA 158 Cb 0.03 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.94 1n50 h ALA 158 CO 0.00 0.00 -0.51 0.41 0.00 0.00 0.00 179.25 179.15 1n50 n GLY 159 N 1.27 -0.11 3.61 0.00 0.00 -0.90 -4.94 105.19 104.12 1n50 n GLY 159 Ca 0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1n50 n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n50 s GLN 160 N -4.81 1.54 0.13 1.61 -0.21 -1.18 -1.92 119.66 114.82 1n50 s GLN 160 Ca 0.02 -1.11 0.04 0.00 0.02 0.00 0.00 55.36 54.33 1n50 s GLN 160 Cb -0.00 0.50 -0.04 0.00 1.00 0.00 0.00 33.01 34.47 1n50 s GLN 160 CO 0.48 -0.65 -0.09 0.96 -2.12 0.00 0.00 175.29 173.87 1n50 s ILE 161 N -3.97 1.00 -0.03 1.08 -4.36 -0.78 -1.68 121.20 112.46 1n50 s ILE 161 Ca 0.17 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 58.57 1n50 s ILE 161 Cb -0.02 -1.80 0.00 0.00 1.25 0.00 0.00 42.46 41.89 1n50 s ILE 161 CO 0.06 -0.78 -0.11 0.00 0.24 0.00 0.00 174.94 174.34 1n50 s ALA 162 N -3.43 1.05 -0.25 2.27 0.00 0.28 -1.23 121.76 120.45 1n50 s ALA 162 Ca 0.15 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 1n50 s ALA 162 Cb 0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1n50 s ALA 162 CO -0.01 0.18 0.33 -0.51 0.00 0.00 0.00 175.76 175.75 1n50 s LEU 163 N 0.15 4.08 -0.14 0.00 1.43 0.05 -1.13 118.68 123.12 1n50 s LEU 163 Ca -0.03 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1n50 s LEU 163 Cb -0.09 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1n50 s LEU 163 CO 0.01 -0.11 -0.10 -0.69 0.23 0.00 0.00 176.35 175.69 1n50 s VAL 164 N 1.72 3.30 0.03 -1.59 1.01 -0.46 0.16 120.40 124.56 1n50 s VAL 164 Ca 0.14 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 1n50 s VAL 164 Cb -0.15 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.77 1n50 s VAL 164 CO 0.09 0.51 1.32 -0.62 0.00 0.00 0.00 175.10 176.40 1n50 s ASP 165 N 0.38 6.93 0.25 3.32 2.15 -0.94 -1.17 116.67 127.59 1n50 s ASP 165 Ca -0.09 2.09 -0.06 0.00 0.43 0.00 0.00 52.55 54.92 1n50 s ASP 165 Cb -0.15 -2.57 0.27 0.00 -0.30 0.00 0.00 42.92 40.16 1n50 s ASP 165 CO 0.05 -0.63 1.93 1.23 -0.17 0.00 0.00 175.17 177.58 1n50 h GLY 166 N 7.65 1.42 1.22 2.66 0.00 -1.72 -1.60 103.07 112.71 1n50 h GLY 166 Ca -0.39 -0.53 -0.31 0.00 0.00 0.00 0.00 47.33 46.11 1n50 h GLY 166 CO 0.87 0.51 -1.54 -0.55 0.00 0.00 0.00 176.54 175.83 1n50 h ASP 167 N 1.36 0.38 1.07 0.19 3.32 -1.92 -3.37 116.42 117.45 1n50 h ASP 167 Ca 0.37 -0.53 -0.14 0.00 0.02 0.00 0.00 57.03 56.75 1n50 h ASP 167 Cb -0.15 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1n50 h ASP 167 CO -0.08 1.44 -0.98 0.77 -1.72 0.00 0.00 179.24 178.67 1n50 h SER 168 N 0.07 0.00 -0.44 6.45 4.64 -1.98 -3.48 113.55 118.81 1n50 h SER 168 Ca -0.25 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.89 1n50 h SER 168 Cb 2.01 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 64.03 1n50 h SER 168 CO 0.16 0.55 -0.17 0.29 -0.87 0.00 0.00 176.83 176.79 1n50 n LYS 169 N -3.05 -0.62 -4.65 4.77 4.01 -0.60 -5.02 118.16 112.99 1n50 n LYS 169 Ca -0.04 0.81 -0.34 0.00 -0.51 0.00 0.00 58.31 58.24 1n50 n LYS 169 Cb 0.79 -4.69 -0.11 0.00 -0.51 0.00 0.00 35.03 30.51 1n50 n LYS 169 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1n50 s LYS 170 N -2.78 2.70 -0.06 1.97 1.02 -1.25 -4.87 119.74 116.47 1n50 s LYS 170 Ca 0.00 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.12 1n50 s LYS 170 Cb 0.00 -2.56 -0.06 0.00 -0.52 0.00 0.00 37.83 34.69 1n50 s LYS 170 CO 0.00 0.66 1.84 0.42 -0.92 0.00 0.00 175.35 177.35 1n50 s ILE 171 N -0.81 3.31 -0.02 2.17 1.01 -1.26 -2.20 121.20 123.39 1n50 s ILE 171 Ca 0.13 0.36 0.12 0.00 0.00 0.00 0.00 60.65 61.26 1n50 s ILE 171 Cb -0.11 -3.26 -0.15 0.00 0.01 0.00 0.00 42.46 38.95 1n50 s ILE 171 CO 0.02 -0.07 1.07 0.58 0.00 0.00 0.00 174.94 176.54 1n50 h VAL 172 N 5.86 1.11 -1.32 2.92 2.07 -0.64 -3.48 116.25 122.77 1n50 h VAL 172 Ca -0.43 -2.75 0.13 0.00 0.82 0.00 0.00 66.70 64.47 1n50 h VAL 172 Cb 1.21 2.51 -0.30 0.00 -1.52 0.00 0.00 31.29 33.19 1n50 h VAL 172 CO 0.96 0.63 0.69 -0.75 0.02 0.00 0.00 177.57 179.12 1n50 s LYS 173 N -2.76 0.27 -0.13 1.57 2.47 -1.21 -4.98 119.74 114.97 1n50 s LYS 173 Ca -0.01 0.30 -0.01 0.00 -1.56 0.00 0.00 55.97 54.70 1n50 s LYS 173 Cb 0.09 0.13 -0.02 0.00 -1.46 0.00 0.00 37.83 36.57 1n50 s LYS 173 CO 0.81 -0.04 -0.10 0.08 0.16 0.00 0.00 175.35 176.26 1n50 s VAL 174 N 0.05 3.36 -0.05 4.02 1.01 -1.26 -0.77 120.40 126.76 1n50 s VAL 174 Ca 0.05 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1n50 s VAL 174 Cb -0.05 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1n50 s VAL 174 CO -0.11 0.53 -0.21 -0.63 0.00 0.00 0.00 175.10 174.67 1n50 s ILE 175 N 0.18 1.76 0.10 2.22 1.01 -0.36 -4.99 121.20 121.12 1n50 s ILE 175 Ca -0.05 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 1n50 s ILE 175 Cb -0.15 -1.50 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 1n50 s ILE 175 CO 0.04 0.50 1.20 -1.81 0.00 0.00 0.00 174.94 174.86 1n50 s ASP 176 N -0.09 7.09 0.00 3.58 1.01 -1.26 -1.87 116.67 125.13 1n50 s ASP 176 Ca -0.03 2.08 0.00 0.00 0.71 0.00 0.00 52.55 55.31 1n50 s ASP 176 Cb -0.12 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1n50 s ASP 176 CO 0.03 -0.43 0.00 0.35 0.21 0.00 0.00 175.17 175.33 1n50 n THR 177 N 3.48 0.00 -1.99 -1.27 -2.24 -0.81 -4.94 114.28 106.51 1n50 n THR 177 Ca 0.07 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 1n50 n THR 177 Cb 0.46 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.74 1n50 n THR 177 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1n50 s GLY 178 N -0.08 1.62 0.22 3.38 0.00 -1.26 -4.72 107.32 106.48 1n50 s GLY 178 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 1n50 s GLY 178 CO 0.00 -0.13 1.45 -0.47 0.00 0.00 0.00 173.10 173.95 1n50 s TYR 179 N -3.35 3.07 -0.92 1.90 5.04 -1.26 -3.88 117.35 117.95 1n50 s TYR 179 Ca 0.59 0.97 -0.09 0.00 -2.44 0.00 0.00 57.07 56.09 1n50 s TYR 179 Cb -0.11 -3.81 0.00 0.00 0.35 0.00 0.00 41.96 38.40 1n50 s TYR 179 CO 0.50 -2.71 0.67 0.00 -1.34 0.00 0.00 175.55 172.67 1n50 n ALA 180 N 2.78 -2.67 -1.61 3.97 0.00 -1.12 -1.80 120.51 120.05 1n50 n ALA 180 Ca 0.08 -0.25 -0.45 0.00 0.00 0.00 0.00 53.44 52.82 1n50 n ALA 180 Cb 0.40 -1.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 1n50 n ALA 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n50 n VAL 181 N -3.08 1.51 -0.10 0.00 0.31 -1.25 -2.86 118.33 112.86 1n50 n VAL 181 Ca -0.18 -0.38 -0.24 0.00 -0.01 0.00 0.00 64.34 63.53 1n50 n VAL 181 Cb 0.62 -1.10 -0.11 0.00 -0.91 0.00 0.00 33.84 32.33 1n50 n VAL 181 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1n50 n HIS 182 N 0.88 0.55 -4.06 3.52 -0.00 0.02 -4.85 115.22 111.27 1n50 n HIS 182 Ca 0.11 0.19 -0.07 0.00 0.46 0.00 0.00 57.72 58.41 1n50 n HIS 182 Cb 0.30 -1.06 -0.10 0.00 -0.12 0.00 0.00 29.99 29.01 1n50 n HIS 182 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1n50 s ILE 183 N -2.47 0.20 -0.06 3.57 -4.36 -1.26 -4.81 121.20 112.02 1n50 s ILE 183 Ca -0.32 -1.66 0.03 0.00 -0.26 0.00 0.00 60.65 58.43 1n50 s ILE 183 Cb 0.10 -1.37 -0.03 0.00 1.25 0.00 0.00 42.46 42.41 1n50 s ILE 183 CO 0.59 -0.92 -0.12 -0.44 0.24 0.00 0.00 174.94 174.28 1n50 s SER 184 N -2.76 4.17 0.05 4.36 0.01 -1.26 -3.26 113.70 115.01 1n50 s SER 184 Ca 0.04 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1n50 s SER 184 Cb 0.06 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 1n50 s SER 184 CO -0.09 0.34 -0.07 -0.13 0.41 0.00 0.00 173.24 173.70 1n50 s ARG 185 N -0.69 0.55 0.01 12.44 1.81 0.22 -4.96 118.95 128.34 1n50 s ARG 185 Ca 0.10 -0.83 0.02 0.00 -1.72 0.00 0.00 55.73 53.30 1n50 s ARG 185 Cb -0.11 -0.24 -0.04 0.00 -0.45 0.00 0.00 34.95 34.12 1n50 s ARG 185 CO 0.01 0.03 -0.02 -1.64 -0.68 0.00 0.00 175.30 173.00 1n50 s MET 186 N -1.92 2.69 0.57 3.54 -1.94 -1.26 0.08 119.30 121.06 1n50 s MET 186 Ca -0.07 -0.67 -0.17 0.00 -1.71 0.00 0.00 55.69 53.07 1n50 s MET 186 Cb -0.08 -2.61 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 1n50 s MET 186 CO -0.01 0.61 1.05 -1.54 -0.01 0.00 0.00 175.02 175.13 1n50 s SER 187 N -1.59 5.91 0.53 3.03 1.04 -0.39 -4.74 113.70 117.49 1n50 s SER 187 Ca 0.19 1.85 0.24 0.00 0.48 0.00 0.00 55.95 58.71 1n50 s SER 187 Cb -0.11 -2.54 1.38 0.00 0.10 0.00 0.00 66.02 64.85 1n50 s SER 187 CO 0.10 -1.08 2.02 0.00 0.98 0.00 0.00 173.24 175.26 1n50 h ALA 188 N 0.70 2.41 0.00 5.32 0.00 -1.92 0.52 119.26 126.29 1n50 h ALA 188 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1n50 h ALA 188 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1n50 h ALA 188 CO 0.58 -0.55 0.00 0.66 0.00 0.00 0.00 179.25 179.94 1n50 h SER 189 N 0.00 0.00 0.00 0.00 4.64 -1.92 -3.47 113.55 112.80 1n50 h SER 189 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1n50 h SER 189 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1n50 h SER 189 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1n50 n GLY 190 N 0.54 0.65 0.13 -0.77 0.00 0.17 -4.95 105.19 100.96 1n50 n GLY 190 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1n50 n GLY 190 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1n50 n ARG 191 N -2.67 0.73 -4.20 1.61 0.63 -1.26 -4.93 116.66 106.57 1n50 n ARG 191 Ca 0.00 0.24 -0.34 0.00 -0.92 0.00 0.00 57.85 56.83 1n50 n ARG 191 Cb 0.00 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.16 1n50 n ARG 191 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1n50 s TYR 192 N -2.55 3.22 -0.17 -0.14 2.02 -1.26 -1.84 117.35 116.63 1n50 s TYR 192 Ca -0.24 0.19 -0.05 0.00 -0.37 0.00 0.00 57.07 56.60 1n50 s TYR 192 Cb 0.07 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1n50 s TYR 192 CO 0.74 0.52 -0.00 -1.17 -1.57 0.00 0.00 175.55 174.07 1n50 s LEU 193 N -1.44 3.42 -0.12 -1.29 0.20 -0.05 -1.26 118.68 118.14 1n50 s LEU 193 Ca 0.19 -0.08 0.02 0.00 0.69 0.00 0.00 54.13 54.95 1n50 s LEU 193 Cb -0.12 -1.85 -0.01 0.00 -0.43 0.00 0.00 46.19 43.79 1n50 s LEU 193 CO 0.10 0.15 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.37 1n50 s LEU 194 N 0.47 2.40 0.07 -0.68 1.43 0.11 -0.05 118.68 122.43 1n50 s LEU 194 Ca -0.01 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1n50 s LEU 194 Cb -0.14 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1n50 s LEU 194 CO 0.02 0.15 -0.15 0.68 0.23 0.00 0.00 176.35 177.28 1n50 s VAL 195 N 0.43 1.15 -0.02 -1.59 -7.23 -0.97 0.73 120.40 112.89 1n50 s VAL 195 Ca -0.13 -1.29 -0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1n50 s VAL 195 Cb -0.17 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 35.71 1n50 s VAL 195 CO 0.06 -0.19 0.04 -0.51 -0.31 0.00 0.00 175.10 174.19 1n50 s ILE 196 N -1.22 -0.05 0.44 -0.62 2.07 -1.20 -1.52 121.20 119.10 1n50 s ILE 196 Ca -0.01 0.17 -0.03 0.00 -1.41 0.00 0.00 60.65 59.36 1n50 s ILE 196 Cb -0.10 -0.08 -0.03 0.00 0.13 0.00 0.00 42.46 42.38 1n50 s ILE 196 CO 0.02 0.07 0.71 -0.83 -1.91 0.00 0.00 174.94 173.00 1n50 s GLY 197 N 0.84 1.45 0.51 1.50 0.00 -0.54 -0.80 107.32 110.27 1n50 s GLY 197 Ca -0.07 -0.64 0.34 0.00 0.00 0.00 0.00 44.72 44.35 1n50 s GLY 197 CO -0.03 -0.51 2.04 0.07 0.00 0.00 0.00 173.10 174.67 1n50 h ARG 198 N 0.39 0.00 -0.42 2.90 0.11 -1.20 0.25 114.38 116.40 1n50 h ARG 198 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1n50 h ARG 198 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1n50 h ARG 198 CO 0.61 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.28 1n50 n ASP 199 N -2.73 1.48 0.00 0.08 5.75 -1.25 -1.49 116.55 118.39 1n50 n ASP 199 Ca -0.02 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1n50 n ASP 199 Cb 0.09 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1n50 n ASP 199 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n50 n ALA 200 N 0.12 0.00 -2.66 2.12 0.00 0.87 -4.56 120.51 116.40 1n50 n ALA 200 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1n50 n ALA 200 Cb 0.28 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 1n50 n ALA 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n50 s ARG 201 N -0.87 4.25 -0.11 0.00 3.52 -1.25 -2.05 118.95 122.44 1n50 s ARG 201 Ca 0.00 1.06 -0.06 0.00 -0.13 0.00 0.00 55.73 56.59 1n50 s ARG 201 Cb 0.00 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1n50 s ARG 201 CO 0.00 -0.45 0.14 0.42 -0.81 0.00 0.00 175.30 174.60 1n50 s ILE 202 N 2.57 5.48 -0.09 4.11 1.01 0.15 -1.47 121.20 132.97 1n50 s ILE 202 Ca 0.38 0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1n50 s ILE 202 Cb -0.16 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.92 1n50 s ILE 202 CO 0.10 0.59 -0.13 -1.81 0.00 0.00 0.00 174.94 173.69 1n50 s ASP 203 N -1.12 2.12 -0.23 3.58 1.01 -0.57 -2.27 116.67 119.18 1n50 s ASP 203 Ca 0.16 -0.36 -0.08 0.00 0.71 0.00 0.00 52.55 52.99 1n50 s ASP 203 Cb -0.12 -0.94 -0.04 0.00 1.01 0.00 0.00 42.92 42.83 1n50 s ASP 203 CO 0.05 0.01 0.09 -0.32 0.21 0.00 0.00 175.17 175.21 1n50 s MET 204 N 0.91 3.83 -0.11 8.23 -2.45 -0.56 -2.30 119.30 126.85 1n50 s MET 204 Ca -0.09 -0.40 0.01 0.00 -1.25 0.00 0.00 55.69 53.96 1n50 s MET 204 Cb -0.15 -3.33 -0.02 0.00 1.25 0.00 0.00 34.83 32.58 1n50 s MET 204 CO 0.00 -0.01 -0.15 0.42 1.05 0.00 0.00 175.02 176.34 1n50 s ILE 205 N 1.15 2.91 -0.32 10.11 1.01 0.93 -1.00 121.20 135.99 1n50 s ILE 205 Ca 0.05 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 1n50 s ILE 205 Cb -0.14 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1n50 s ILE 205 CO 0.04 0.54 0.58 -0.62 0.00 0.00 0.00 174.94 175.48 1n50 s ASP 206 N 0.13 6.42 0.00 3.58 -1.08 0.25 -0.87 116.67 125.09 1n50 s ASP 206 Ca -0.07 0.24 0.29 0.00 -0.52 0.00 0.00 52.55 52.49 1n50 s ASP 206 Cb -0.15 -2.30 1.34 0.00 -1.46 0.00 0.00 42.92 40.35 1n50 s ASP 206 CO 0.05 -0.48 1.94 0.18 0.52 0.00 0.00 175.17 177.38 1n50 n LEU 207 N 5.83 0.25 0.07 -1.34 4.77 -0.76 -2.53 117.00 123.28 1n50 n LEU 207 Ca -0.03 0.14 0.11 0.00 -0.03 0.00 0.00 56.01 56.21 1n50 n LEU 207 Cb 0.49 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1n50 n LEU 207 CO 0.46 0.05 -0.00 0.79 -1.33 0.00 0.00 177.39 177.35 1n50 n TRP 208 N -1.13 0.64 -0.70 -1.77 7.02 -1.26 -4.70 117.44 115.53 1n50 n TRP 208 Ca 0.14 0.19 -0.31 0.00 -1.02 0.00 0.00 57.50 56.49 1n50 n TRP 208 Cb 0.26 -0.74 0.16 0.00 -2.42 0.00 0.00 31.31 28.58 1n50 n TRP 208 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1n50 n ALA 209 N -2.04 -0.95 -0.29 6.99 0.00 -1.24 -0.33 120.51 122.65 1n50 n ALA 209 Ca 0.01 -0.55 0.10 0.00 0.00 0.00 0.00 53.44 52.99 1n50 n ALA 209 Cb 0.51 -2.16 0.24 0.00 0.00 0.00 0.00 19.45 18.03 1n50 n ALA 209 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1n50 h LYS 210 N -1.83 0.12 -4.35 0.00 1.79 -1.93 -3.33 116.57 107.04 1n50 h LYS 210 Ca -0.43 -0.01 -0.54 0.00 -2.18 0.00 0.00 60.65 57.49 1n50 h LYS 210 Cb 1.27 -0.03 -0.36 0.00 -1.58 0.00 0.00 32.23 31.53 1n50 h LYS 210 CO 0.41 0.08 -0.81 -1.21 -1.08 0.00 0.00 179.45 176.84 1n50 s GLU 211 N -6.02 1.71 -0.31 3.15 2.02 -1.26 -4.65 118.70 113.34 1n50 s GLU 211 Ca -0.13 -0.33 -0.40 0.00 0.02 0.00 0.00 54.97 54.13 1n50 s GLU 211 Cb 0.25 -1.68 -0.16 0.00 0.10 0.00 0.00 34.13 32.65 1n50 s GLU 211 CO 0.77 -0.23 1.80 -0.35 0.02 0.00 0.00 175.26 177.27 1n50 n PRO 212 N 4.80 1.05 -4.18 0.39 -0.04 -1.25 -4.92 135.00 130.84 1n50 n PRO 212 Ca -0.14 0.37 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1n50 n PRO 212 Cb 0.50 -2.09 -0.10 0.00 -0.04 0.00 0.00 33.50 31.77 1n50 n PRO 212 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1n50 s THR 213 N 4.01 0.41 0.06 0.52 -4.23 -1.05 -4.92 115.64 110.44 1n50 s THR 213 Ca 1.01 -1.93 -0.31 0.00 -1.18 0.00 0.00 61.69 59.28 1n50 s THR 213 Cb -1.09 -1.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.70 1n50 s THR 213 CO 0.65 -0.57 1.30 -0.54 -0.54 0.00 0.00 174.62 174.93 1n50 s LYS 214 N -3.96 4.36 -0.05 3.99 1.02 -1.26 -0.58 119.74 123.25 1n50 s LYS 214 Ca 0.21 1.91 0.13 0.00 0.02 0.00 0.00 55.97 58.25 1n50 s LYS 214 Cb 0.07 -3.36 -0.20 0.00 -0.52 0.00 0.00 37.83 33.82 1n50 s LYS 214 CO 0.01 -0.39 0.23 1.33 -0.92 0.00 0.00 175.35 175.61 1n50 n VAL 215 N 4.10 0.28 -3.51 3.17 0.24 -0.17 -4.61 118.33 117.83 1n50 n VAL 215 Ca 0.11 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.34 61.90 1n50 n VAL 215 Cb 0.44 -0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 32.71 1n50 n VAL 215 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n50 s ALA 216 N -2.78 -1.40 0.04 2.33 0.00 -1.22 0.61 121.76 119.34 1n50 s ALA 216 Ca -0.06 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 1n50 s ALA 216 Cb 0.07 0.85 0.06 0.00 0.00 0.00 0.00 23.12 24.11 1n50 s ALA 216 CO 0.57 -0.76 0.60 -1.83 0.00 0.00 0.00 175.76 174.34 1n50 s GLU 217 N -3.78 1.10 -0.04 0.00 -1.05 -0.71 -1.49 118.70 112.73 1n50 s GLU 217 Ca 0.03 -0.11 -0.29 0.00 -0.15 0.00 0.00 54.97 54.45 1n50 s GLU 217 Cb -0.01 0.51 0.10 0.00 -0.44 0.00 0.00 34.13 34.30 1n50 s GLU 217 CO -0.11 -0.40 0.86 -1.50 0.95 0.00 0.00 175.26 175.05 1n50 s ILE 218 N -2.30 0.00 -0.21 1.83 2.07 -0.96 -1.11 121.20 120.52 1n50 s ILE 218 Ca -0.06 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1n50 s ILE 218 Cb -0.01 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.59 1n50 s ILE 218 CO -0.00 0.00 -0.12 -0.75 -1.91 0.00 0.00 174.94 172.16 1n50 s LYS 219 N -2.32 3.11 -0.17 3.50 2.20 -1.26 0.34 119.74 125.13 1n50 s LYS 219 Ca 0.00 -0.78 0.16 0.00 -0.36 0.00 0.00 55.97 55.00 1n50 s LYS 219 Cb -0.01 -2.80 0.72 0.00 -1.51 0.00 0.00 37.83 34.23 1n50 s LYS 219 CO -0.04 -0.23 1.64 0.44 -0.36 0.00 0.00 175.35 176.80 1n50 n ILE 220 N 4.69 2.27 -3.52 5.43 -6.64 -0.87 -4.57 119.36 116.15 1n50 n ILE 220 Ca -0.19 -1.38 0.00 0.00 -1.77 0.00 0.00 62.75 59.40 1n50 n ILE 220 Cb 0.50 -0.08 0.00 0.00 -1.44 0.00 0.00 39.64 38.61 1n50 n ILE 220 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1n50 n GLY 221 N 0.65 -1.11 0.10 3.28 0.00 -1.26 -4.83 105.19 102.01 1n50 n GLY 221 Ca 0.25 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1n50 n GLY 221 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n50 n ILE 222 N 4.68 1.41 -3.77 -0.61 -0.00 0.12 -4.64 119.36 116.56 1n50 n ILE 222 Ca 0.00 -0.84 -0.13 0.00 -0.00 0.00 0.00 62.75 61.78 1n50 n ILE 222 Cb 0.00 -0.55 -0.12 0.00 -0.00 0.00 0.00 39.64 38.97 1n50 n ILE 222 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1n50 s GLU 223 N -2.52 0.28 0.36 0.38 2.12 -0.94 -4.31 118.70 114.07 1n50 s GLU 223 Ca -0.09 0.42 -0.09 0.00 0.36 0.00 0.00 54.97 55.57 1n50 s GLU 223 Cb 0.06 0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.55 1n50 s GLU 223 CO 0.83 -0.07 0.62 0.00 -0.54 0.00 0.00 175.26 176.10 1n50 s ALA 224 N 0.47 0.03 0.00 6.30 0.00 -0.55 -0.04 121.76 127.97 1n50 s ALA 224 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1n50 s ALA 224 Cb -0.04 0.93 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1n50 s ALA 224 CO -0.02 -0.89 0.00 0.54 0.00 0.00 0.00 175.76 175.39 1n50 n ARG 225 N -0.54 0.00 -4.33 0.00 5.12 -1.20 -4.18 116.66 111.52 1n50 n ARG 225 Ca -0.03 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.63 1n50 n ARG 225 Cb 0.61 -0.34 -0.09 0.00 -1.16 0.00 0.00 32.46 31.47 1n50 n ARG 225 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1n50 s SER 226 N -1.69 4.11 0.07 0.55 0.15 -1.24 -4.36 113.70 111.30 1n50 s SER 226 Ca 0.00 -0.68 -0.14 0.00 0.70 0.00 0.00 55.95 55.83 1n50 s SER 226 Cb 0.00 -0.63 0.02 0.00 -1.71 0.00 0.00 66.02 63.70 1n50 s SER 226 CO 0.00 0.08 0.33 0.54 1.20 0.00 0.00 173.24 175.39 1n50 s VAL 227 N -1.89 0.09 0.11 4.45 0.11 -1.26 -1.74 120.40 120.27 1n50 s VAL 227 Ca 0.26 -0.71 -0.25 0.00 -2.93 0.00 0.00 61.98 58.34 1n50 s VAL 227 Cb -0.08 -1.08 0.07 0.00 -1.53 0.00 0.00 36.38 33.77 1n50 s VAL 227 CO 0.15 -0.39 0.82 -0.70 -3.33 0.00 0.00 175.10 171.65 1n50 s GLU 228 N -3.12 1.14 0.12 1.54 2.56 0.21 -4.87 118.70 116.28 1n50 s GLU 228 Ca -0.01 -0.52 0.08 0.00 0.00 0.00 0.00 54.97 54.52 1n50 s GLU 228 Cb 0.01 0.46 -0.04 0.00 2.00 0.00 0.00 34.13 36.56 1n50 s GLU 228 CO -0.07 -0.51 -0.19 0.45 -0.56 0.00 0.00 175.26 174.38 1n50 s SER 229 N -2.72 2.44 0.09 -1.70 0.15 -1.26 -1.02 113.70 109.68 1n50 s SER 229 Ca 0.07 -0.74 -0.31 0.00 0.70 0.00 0.00 55.95 55.67 1n50 s SER 229 Cb -0.02 -0.13 -0.10 0.00 -1.71 0.00 0.00 66.02 64.07 1n50 s SER 229 CO -0.05 0.00 1.80 -0.94 1.20 0.00 0.00 173.24 175.25 1n50 s SER 230 N -2.14 6.48 -0.04 5.45 1.04 -0.87 -4.65 113.70 118.97 1n50 s SER 230 Ca 0.08 2.66 0.07 0.00 0.48 0.00 0.00 55.95 59.25 1n50 s SER 230 Cb -0.08 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.63 1n50 s SER 230 CO 0.05 -0.98 1.11 0.29 0.98 0.00 0.00 173.24 174.68 1n50 n LYS 231 N 5.92 2.62 -2.77 4.02 5.02 -1.26 -4.32 118.16 127.40 1n50 n LYS 231 Ca 0.17 -1.91 -0.37 0.00 -2.02 0.00 0.00 58.31 54.18 1n50 n LYS 231 Cb 0.39 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1n50 n LYS 231 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1n50 s PHE 232 N -1.51 3.69 0.03 2.13 5.36 -1.23 -4.73 117.98 121.72 1n50 s PHE 232 Ca 0.14 1.78 -0.35 0.00 -0.96 0.00 0.00 56.93 57.54 1n50 s PHE 232 Cb 0.10 -2.94 -0.14 0.00 -0.34 0.00 0.00 43.02 39.71 1n50 s PHE 232 CO 0.04 0.18 1.64 1.17 -1.46 0.00 0.00 175.22 176.79 1n50 n LYS 233 N 0.57 1.90 -0.43 10.12 4.81 -1.26 -1.13 118.16 132.73 1n50 n LYS 233 Ca 0.02 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1n50 n LYS 233 Cb 0.50 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1n50 n LYS 233 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n50 n GLY 234 N 3.63 0.77 0.55 3.14 0.00 -1.26 -4.94 105.19 107.08 1n50 n GLY 234 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1n50 n GLY 234 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n50 n TYR 235 N -2.32 0.00 -1.68 1.61 4.02 -0.29 -5.02 117.16 113.48 1n50 n TYR 235 Ca 0.00 -0.98 -0.43 0.00 -0.01 0.00 0.00 57.90 56.47 1n50 n TYR 235 Cb 0.00 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.11 1n50 n TYR 235 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1n50 n GLU 236 N -0.83 2.71 -2.04 -0.72 1.02 -1.26 -1.72 120.64 117.80 1n50 n GLU 236 Ca 0.13 0.99 -0.21 0.00 -0.02 0.00 0.00 57.16 58.06 1n50 n GLU 236 Cb 0.75 -2.89 -0.05 0.00 -0.02 0.00 0.00 31.44 29.23 1n50 n GLU 236 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1n50 n ASP 237 N 6.36 -5.70 -0.01 1.62 9.92 -1.26 -4.91 116.55 122.57 1n50 n ASP 237 Ca 0.19 0.22 -0.08 0.00 -0.53 0.00 0.00 54.79 54.59 1n50 n ASP 237 Cb 0.37 -4.87 -0.07 0.00 -0.64 0.00 0.00 41.12 35.91 1n50 n ASP 237 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1n50 h ARG 238 N 0.00 -0.10 -5.05 -1.24 2.47 -1.62 -3.33 114.38 105.51 1n50 h ARG 238 Ca -0.46 0.01 -0.33 0.00 -1.26 0.00 0.00 59.98 57.93 1n50 h ARG 238 Cb 1.36 0.02 -0.17 0.00 -1.65 0.00 0.00 29.97 29.54 1n50 h ARG 238 CO 0.60 0.34 -0.73 0.71 0.56 0.00 0.00 179.97 181.45 1n50 s TYR 239 N -2.50 1.17 -0.01 3.04 2.02 -1.26 -0.28 117.35 119.53 1n50 s TYR 239 Ca -0.10 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 55.95 1n50 s TYR 239 Cb -0.01 -0.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.92 1n50 s TYR 239 CO 0.37 0.04 -0.12 0.99 -1.57 0.00 0.00 175.55 175.27 1n50 s THR 240 N -2.72 0.96 0.08 -0.71 2.01 -0.80 -2.05 115.64 112.40 1n50 s THR 240 Ca 0.10 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.66 1n50 s THR 240 Cb -0.01 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1n50 s THR 240 CO 0.00 0.27 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.51 1n50 s ILE 241 N -0.22 1.53 -0.00 1.82 2.07 -0.19 -0.81 121.20 125.40 1n50 s ILE 241 Ca 0.04 -1.40 -0.02 0.00 -1.41 0.00 0.00 60.65 57.86 1n50 s ILE 241 Cb -0.05 -1.39 -0.00 0.00 0.13 0.00 0.00 42.46 41.14 1n50 s ILE 241 CO -0.00 -0.05 0.03 0.00 -1.91 0.00 0.00 174.94 173.01 1n50 s ALA 242 N -1.10 -0.07 -0.08 1.50 0.00 -0.90 -0.62 121.76 120.49 1n50 s ALA 242 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1n50 s ALA 242 Cb -0.10 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1n50 s ALA 242 CO 0.03 -0.09 -0.08 0.20 0.00 0.00 0.00 175.76 175.82 1n50 s GLY 243 N -0.67 1.67 0.15 0.00 0.00 -0.71 -1.39 107.32 106.37 1n50 s GLY 243 Ca -0.07 -0.89 0.07 0.00 0.00 0.00 0.00 44.72 43.83 1n50 s GLY 243 CO -0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 173.10 172.49 1n50 s ALA 244 N -0.57 3.13 -0.10 3.20 0.00 0.17 -3.27 121.76 124.32 1n50 s ALA 244 Ca 0.08 -1.34 -0.19 0.00 0.00 0.00 0.00 51.96 50.51 1n50 s ALA 244 Cb -0.12 -0.96 -0.28 0.00 0.00 0.00 0.00 23.12 21.77 1n50 s ALA 244 CO 0.02 0.53 0.65 1.88 0.00 0.00 0.00 175.76 178.83 1n50 h TYR 245 N 2.97 0.39 -3.27 0.00 -1.99 -0.72 -2.45 116.97 111.89 1n50 h TYR 245 Ca -0.47 -0.28 -0.28 0.00 2.00 0.00 0.00 58.73 59.70 1n50 h TYR 245 Cb 1.19 -0.02 -0.34 0.00 2.00 0.00 0.00 36.73 39.57 1n50 h TYR 245 CO 0.62 1.42 -0.65 -0.46 -0.00 0.00 0.00 178.16 179.10 1n50 s TRP 246 N -2.43 -0.11 0.94 4.88 -0.11 -0.88 -3.70 118.94 117.55 1n50 s TRP 246 Ca -0.19 0.42 -0.12 0.00 1.22 0.00 0.00 56.10 57.44 1n50 s TRP 246 Cb 0.03 -0.19 0.16 0.00 -1.50 0.00 0.00 33.47 31.96 1n50 s TRP 246 CO 0.76 -0.18 1.09 -2.14 -4.62 0.00 0.00 176.95 171.87 1n50 s PRO 247 N 1.50 0.87 -0.99 5.86 0.02 -1.26 0.13 135.00 141.14 1n50 s PRO 247 Ca -0.05 0.71 -0.24 0.00 0.02 0.00 0.00 61.00 61.44 1n50 s PRO 247 Cb -0.12 -1.77 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 1n50 s PRO 247 CO -0.05 -2.48 1.93 -2.14 -0.33 0.00 0.00 177.00 173.93 1n50 s PRO 248 N -4.93 2.57 0.16 5.54 0.02 -1.24 -4.59 135.00 132.53 1n50 s PRO 248 Ca 0.64 -0.57 -0.24 0.00 0.02 0.00 0.00 61.00 60.85 1n50 s PRO 248 Cb -0.18 -5.12 0.06 0.00 0.02 0.00 0.00 34.50 29.27 1n50 s PRO 248 CO 0.57 -3.51 0.87 1.14 -0.33 0.00 0.00 177.00 175.74 1n50 s GLN 249 N 6.79 1.28 0.19 5.54 -2.07 -1.25 -0.89 119.66 129.25 1n50 s GLN 249 Ca 0.69 -0.67 0.05 0.00 -1.82 0.00 0.00 55.36 53.61 1n50 s GLN 249 Cb -0.05 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.29 1n50 s GLN 249 CO 0.03 -0.58 -0.09 -0.59 -1.32 0.00 0.00 175.29 172.73 1n50 s PHE 250 N -3.43 1.50 0.01 9.60 -0.12 -0.83 0.45 117.98 125.16 1n50 s PHE 250 Ca 0.10 -0.73 0.01 0.00 -0.05 0.00 0.00 56.93 56.27 1n50 s PHE 250 Cb -0.02 -0.77 -0.01 0.00 -0.63 0.00 0.00 43.02 41.59 1n50 s PHE 250 CO 0.01 0.16 -0.04 0.00 -0.05 0.00 0.00 175.22 175.29 1n50 s ALA 251 N -3.21 0.33 -0.10 1.99 0.00 -0.49 -1.59 121.76 118.70 1n50 s ALA 251 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1n50 s ALA 251 Cb 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1n50 s ALA 251 CO 0.05 0.04 -0.10 0.42 0.00 0.00 0.00 175.76 176.17 1n50 s ILE 252 N -0.43 3.42 0.28 0.00 1.01 0.34 -2.11 121.20 123.71 1n50 s ILE 252 Ca -0.02 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1n50 s ILE 252 Cb -0.04 -2.42 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 1n50 s ILE 252 CO -0.00 0.56 0.06 -0.04 0.00 0.00 0.00 174.94 175.51 1n50 s MET 253 N -0.25 1.49 0.12 2.79 -1.94 0.01 -1.04 119.30 120.48 1n50 s MET 253 Ca 0.02 -1.80 -0.31 0.00 -1.71 0.00 0.00 55.69 51.89 1n50 s MET 253 Cb -0.13 -0.58 -0.09 0.00 2.01 0.00 0.00 34.83 36.05 1n50 s MET 253 CO 0.03 -0.21 1.49 0.34 -0.01 0.00 0.00 175.02 176.66 1n50 s ASP 254 N -3.38 6.71 0.00 3.03 -1.08 0.23 -1.91 116.67 120.28 1n50 s ASP 254 Ca 0.35 2.44 0.14 0.00 -0.52 0.00 0.00 52.55 54.97 1n50 s ASP 254 Cb 0.08 -2.59 0.86 0.00 -1.46 0.00 0.00 42.92 39.81 1n50 s ASP 254 CO 0.13 -0.75 1.37 0.61 0.52 0.00 0.00 175.17 177.06 1n50 n GLY 255 N 3.66 -0.74 0.02 2.66 0.00 0.62 -0.75 105.19 110.65 1n50 n GLY 255 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1n50 n GLY 255 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n50 n GLU 256 N -0.80 2.49 0.00 1.61 4.07 -1.25 -4.72 120.64 122.04 1n50 n GLU 256 Ca 0.11 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1n50 n GLU 256 Cb 0.05 -1.10 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 1n50 n GLU 256 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1n50 n THR 257 N -2.28 0.00 -1.07 6.31 -2.24 -1.22 -4.84 114.28 108.95 1n50 n THR 257 Ca -0.07 -0.26 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 1n50 n THR 257 Cb 0.61 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1n50 n THR 257 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n50 n LEU 258 N -1.18 -0.12 -4.70 3.22 4.77 0.07 -4.76 117.00 114.30 1n50 n LEU 258 Ca 0.00 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 1n50 n LEU 258 Cb 0.00 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 1n50 n LEU 258 CO 0.00 -0.18 1.20 -0.70 -1.33 0.00 0.00 177.39 176.38 1n50 s GLU 259 N -1.67 4.25 0.17 3.23 2.12 -1.26 -4.56 118.70 120.99 1n50 s GLU 259 Ca 0.00 2.18 -0.31 0.00 0.36 0.00 0.00 54.97 57.19 1n50 s GLU 259 Cb 0.00 -3.46 -0.10 0.00 0.26 0.00 0.00 34.13 30.83 1n50 s GLU 259 CO 0.00 -0.61 1.53 -1.25 -0.54 0.00 0.00 175.26 174.39 1n50 s PRO 260 N 2.06 4.23 -0.05 4.30 0.04 -1.26 -0.60 135.00 143.72 1n50 s PRO 260 Ca 0.69 2.32 -0.05 0.00 0.04 0.00 0.00 61.00 63.99 1n50 s PRO 260 Cb -0.37 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 1n50 s PRO 260 CO 0.30 -0.56 -0.12 1.63 0.04 0.00 0.00 177.00 178.30 1n50 n LYS 261 N 3.68 0.18 -4.26 4.56 4.76 -0.21 -4.91 118.16 121.96 1n50 n LYS 261 Ca 0.12 0.08 -0.18 0.00 -2.87 0.00 0.00 58.31 55.46 1n50 n LYS 261 Cb 0.39 -0.81 -0.13 0.00 -1.84 0.00 0.00 35.03 32.64 1n50 n LYS 261 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1n50 s GLN 262 N -2.22 0.79 -0.07 1.97 -1.52 -0.90 -4.99 119.66 112.72 1n50 s GLN 262 Ca -0.11 -0.71 0.01 0.00 -1.95 0.00 0.00 55.36 52.60 1n50 s GLN 262 Cb 0.03 -0.75 0.02 0.00 -0.22 0.00 0.00 33.01 32.10 1n50 s GLN 262 CO 0.15 0.18 -0.09 0.42 -0.25 0.00 0.00 175.29 175.70 1n50 s ILE 263 N -0.90 0.96 -0.05 1.08 1.01 -1.26 -0.50 121.20 121.54 1n50 s ILE 263 Ca -0.01 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.34 1n50 s ILE 263 Cb -0.08 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.46 1n50 s ILE 263 CO 0.01 0.33 -0.18 -0.69 0.00 0.00 0.00 174.94 174.41 1n50 s VAL 264 N 1.02 1.52 0.13 2.92 1.01 -0.62 -5.01 120.40 121.37 1n50 s VAL 264 Ca -0.08 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 1n50 s VAL 264 Cb -0.15 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 1n50 s VAL 264 CO -0.00 0.44 0.67 -0.55 0.00 0.00 0.00 175.10 175.65 1n50 s SER 265 N 0.11 7.19 0.00 3.32 0.15 -1.26 -1.96 113.70 121.26 1n50 s SER 265 Ca -0.06 1.43 0.20 0.00 0.70 0.00 0.00 55.95 58.22 1n50 s SER 265 Cb -0.13 -2.42 0.32 0.00 -1.71 0.00 0.00 66.02 62.08 1n50 s SER 265 CO 0.03 0.22 1.28 0.35 1.20 0.00 0.00 173.24 176.32 1n50 n THR 266 N 1.53 0.40 -1.85 6.45 -2.24 -0.07 -4.95 114.28 113.55 1n50 n THR 266 Ca -0.07 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.59 1n50 n THR 266 Cb 0.50 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 1n50 n THR 266 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1n50 s ARG 267 N -1.43 4.17 0.00 -0.78 0.52 -1.26 -4.57 118.95 115.61 1n50 s ARG 267 Ca 0.32 2.49 0.00 0.00 -0.52 0.00 0.00 55.73 58.02 1n50 s ARG 267 Cb 0.19 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1n50 s ARG 267 CO 0.27 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.41 1n50 n GLY 268 N 2.50 -0.64 3.77 -3.53 0.00 -1.20 -5.05 105.19 101.04 1n50 n GLY 268 Ca 0.09 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1n50 n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n50 s MET 269 N -0.24 4.45 0.66 1.61 -1.94 -1.26 -1.04 119.30 121.54 1n50 s MET 269 Ca 0.00 1.01 -0.12 0.00 -1.71 0.00 0.00 55.69 54.87 1n50 s MET 269 Cb 0.00 -3.29 -0.01 0.00 2.01 0.00 0.00 34.83 33.54 1n50 s MET 269 CO 0.00 0.50 1.06 0.95 -0.01 0.00 0.00 175.02 177.51 1n50 s THR 270 N -0.79 4.00 0.11 2.05 -4.23 0.03 -4.86 115.64 111.95 1n50 s THR 270 Ca 0.35 0.73 -0.02 0.00 -1.18 0.00 0.00 61.69 61.57 1n50 s THR 270 Cb -0.21 -3.41 -0.22 0.00 1.34 0.00 0.00 72.50 70.00 1n50 s THR 270 CO 0.23 -0.77 1.25 1.62 -0.54 0.00 0.00 174.62 176.41 1n50 h VAL 271 N -0.37 1.49 0.00 2.29 3.04 -1.47 -2.92 116.25 118.31 1n50 h VAL 271 Ca -0.45 -2.83 0.00 0.00 -1.01 0.00 0.00 66.70 62.42 1n50 h VAL 271 Cb 1.21 2.69 0.00 0.00 -2.01 0.00 0.00 31.29 33.18 1n50 h VAL 271 CO 0.57 0.83 0.00 -0.90 -1.01 0.00 0.00 177.57 177.06 1n50 n ASP 272 N -3.61 0.00 0.25 3.17 5.75 -1.26 -4.45 116.55 116.40 1n50 n ASP 272 Ca -0.06 0.26 0.14 0.00 -0.01 0.00 0.00 54.79 55.11 1n50 n ASP 272 Cb 0.92 -0.26 0.53 0.00 -1.03 0.00 0.00 41.12 41.27 1n50 n ASP 272 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1n50 h THR 273 N 0.00 0.21 -5.39 2.12 1.35 -1.99 -3.47 112.91 105.74 1n50 h THR 273 Ca 0.00 -0.82 -0.35 0.00 -0.55 0.00 0.00 66.41 64.69 1n50 h THR 273 Cb 0.00 1.68 0.13 0.00 -1.73 0.00 0.00 68.15 68.23 1n50 h THR 273 CO 0.00 0.09 -0.64 0.00 -0.25 0.00 0.00 175.52 174.72 1n50 n GLN 274 N -3.20 -7.01 -4.17 4.72 6.02 -1.10 -4.98 117.38 107.66 1n50 n GLN 274 Ca 0.01 0.76 -0.26 0.00 -0.01 0.00 0.00 57.00 57.50 1n50 n GLN 274 Cb 0.39 -5.58 -0.07 0.00 1.02 0.00 0.00 30.24 26.00 1n50 n GLN 274 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1n50 s THR 275 N -3.30 2.15 -0.06 5.09 -4.23 -1.26 -4.70 115.64 109.33 1n50 s THR 275 Ca 0.42 -1.71 -0.28 0.00 -1.18 0.00 0.00 61.69 58.94 1n50 s THR 275 Cb -0.18 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 1n50 s THR 275 CO 0.66 0.00 0.92 -0.47 -0.54 0.00 0.00 174.62 175.20 1n50 s TYR 276 N -2.64 3.58 -0.23 3.99 5.04 -1.26 -0.79 117.35 125.03 1n50 s TYR 276 Ca 0.38 1.54 -0.03 0.00 -2.44 0.00 0.00 57.07 56.52 1n50 s TYR 276 Cb 0.03 -3.07 0.01 0.00 0.35 0.00 0.00 41.96 39.28 1n50 s TYR 276 CO 0.21 -0.08 -0.05 -1.58 -1.34 0.00 0.00 175.55 172.71 1n50 s HIS 277 N 1.38 3.00 -2.00 4.97 5.65 -0.21 -4.96 115.29 123.12 1n50 s HIS 277 Ca 0.47 -1.23 0.18 0.00 0.25 0.00 0.00 55.06 54.74 1n50 s HIS 277 Cb -0.19 -2.09 1.08 0.00 -1.18 0.00 0.00 32.58 30.21 1n50 s HIS 277 CO 0.22 -0.64 1.54 -0.35 -0.65 0.00 0.00 174.74 174.86 1n50 n PRO 278 N 4.74 0.74 -2.83 2.88 -0.04 -1.26 -3.25 135.00 135.98 1n50 n PRO 278 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.17 1n50 n PRO 278 Cb 0.49 -1.38 0.04 0.00 -0.04 0.00 0.00 33.50 32.61 1n50 n PRO 278 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1n50 n GLU 279 N -0.88 0.88 -2.82 0.54 2.13 -1.26 -4.93 120.64 114.30 1n50 n GLU 279 Ca 0.14 -2.13 -0.43 0.00 0.66 0.00 0.00 57.16 55.39 1n50 n GLU 279 Cb 0.06 -1.30 -0.04 0.00 0.27 0.00 0.00 31.44 30.44 1n50 n GLU 279 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1n50 s PRO 280 N 0.02 3.13 0.44 5.31 0.05 -1.26 -4.82 135.00 137.86 1n50 s PRO 280 Ca 0.29 -0.74 -0.25 0.00 0.05 0.00 0.00 61.00 60.35 1n50 s PRO 280 Cb 0.26 -4.22 -0.08 0.00 0.05 0.00 0.00 34.50 30.51 1n50 s PRO 280 CO -0.14 -1.85 1.28 1.03 0.05 0.00 0.00 177.00 177.37 1n50 s ARG 281 N 4.26 3.81 -0.19 4.56 0.52 -1.26 -4.68 118.95 125.97 1n50 s ARG 281 Ca 0.24 2.08 -0.22 0.00 -0.52 0.00 0.00 55.73 57.31 1n50 s ARG 281 Cb -0.16 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 1n50 s ARG 281 CO 0.11 -0.60 0.68 0.08 0.02 0.00 0.00 175.30 175.59 1n50 s VAL 282 N -1.33 4.98 0.00 3.52 1.01 -0.92 -1.02 120.40 126.64 1n50 s VAL 282 Ca 0.60 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.89 1n50 s VAL 282 Cb -0.36 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1n50 s VAL 282 CO 0.46 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.65 1n50 n ALA 283 N 5.09 0.00 -1.47 5.51 0.00 0.04 -4.57 120.51 125.11 1n50 n ALA 283 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1n50 n ALA 283 Cb 0.49 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.00 1n50 n ALA 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n50 s ALA 284 N -3.29 2.40 -0.02 0.00 0.00 -1.12 -4.49 121.76 115.25 1n50 s ALA 284 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1n50 s ALA 284 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1n50 s ALA 284 CO 0.00 -1.40 0.01 0.42 0.00 0.00 0.00 175.76 174.80 1n50 s ILE 285 N -2.33 0.03 -0.01 0.00 1.01 -1.26 -1.48 121.20 117.16 1n50 s ILE 285 Ca 0.68 0.10 0.01 0.00 0.00 0.00 0.00 60.65 61.44 1n50 s ILE 285 Cb -0.21 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.15 1n50 s ILE 285 CO 0.43 0.08 -0.02 -0.51 0.00 0.00 0.00 174.94 174.92 1n50 s ILE 286 N 0.69 0.22 -0.00 2.92 2.07 -0.32 -4.84 121.20 121.94 1n50 s ILE 286 Ca -0.06 -0.06 -0.26 0.00 -1.41 0.00 0.00 60.65 58.86 1n50 s ILE 286 Cb -0.09 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 1n50 s ILE 286 CO -0.02 0.09 0.80 0.00 -1.91 0.00 0.00 174.94 173.91 1n50 s ALA 287 N 0.31 3.30 0.33 1.50 0.00 -1.26 -0.87 121.76 125.07 1n50 s ALA 287 Ca -0.03 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 51.97 1n50 s ALA 287 Cb -0.06 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 1n50 s ALA 287 CO -0.01 -0.07 1.06 0.45 0.00 0.00 0.00 175.76 177.19 1n50 s SER 288 N 0.50 7.06 -0.02 0.00 0.15 -0.97 -4.82 113.70 115.62 1n50 s SER 288 Ca 0.42 2.12 0.18 0.00 0.70 0.00 0.00 55.95 59.37 1n50 s SER 288 Cb -0.20 -2.60 -0.24 0.00 -1.71 0.00 0.00 66.02 61.26 1n50 s SER 288 CO 0.23 -0.28 0.53 1.41 1.20 0.00 0.00 173.24 176.33 1n50 n HIS 289 N 0.60 0.00 0.03 3.44 8.25 -1.26 -3.49 115.22 122.79 1n50 n HIS 289 Ca 0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.43 1n50 n HIS 289 Cb 0.47 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 1n50 n HIS 289 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1n50 h GLU 290 N 0.00 0.00 -3.92 -0.41 4.39 -1.87 -3.44 114.58 109.33 1n50 h GLU 290 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1n50 h GLU 290 Cb 0.66 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.19 1n50 h GLU 290 CO 0.00 0.58 -0.32 -1.01 -1.16 0.00 0.00 179.01 177.10 1n50 s HIS 291 N -2.75 0.46 -1.41 4.33 3.76 -1.26 -4.99 115.29 113.44 1n50 s HIS 291 Ca -0.02 -0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 53.96 1n50 s HIS 291 Cb 0.09 -0.07 0.08 0.00 1.11 0.00 0.00 32.58 33.79 1n50 s HIS 291 CO 0.81 -0.75 2.12 -2.30 -0.85 0.00 0.00 174.74 173.78 1n50 n PRO 292 N -0.24 3.08 -4.15 8.40 -0.02 -1.26 -4.58 135.00 136.23 1n50 n PRO 292 Ca -0.06 -2.88 -0.11 0.00 -2.02 0.00 0.00 63.50 58.43 1n50 n PRO 292 Cb 0.63 -3.18 -0.09 0.00 -0.02 0.00 0.00 33.50 30.84 1n50 n PRO 292 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1n50 s GLU 293 N 2.37 1.20 -0.06 -0.52 2.02 -1.26 -0.88 118.70 121.57 1n50 s GLU 293 Ca 0.45 -1.52 0.05 0.00 0.02 0.00 0.00 54.97 53.96 1n50 s GLU 293 Cb 0.13 0.30 -0.02 0.00 0.10 0.00 0.00 34.13 34.64 1n50 s GLU 293 CO -0.06 -0.40 -0.21 -0.06 0.02 0.00 0.00 175.26 174.55 1n50 s PHE 294 N -4.11 2.54 -0.36 1.61 0.08 -0.19 -2.29 117.98 115.27 1n50 s PHE 294 Ca 0.33 -0.55 -0.11 0.00 0.12 0.00 0.00 56.93 56.72 1n50 s PHE 294 Cb 0.06 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1n50 s PHE 294 CO 0.09 -0.10 0.20 0.42 -0.10 0.00 0.00 175.22 175.73 1n50 s ILE 295 N -0.27 4.65 -0.09 0.64 1.01 -0.05 -0.58 121.20 126.51 1n50 s ILE 295 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1n50 s ILE 295 Cb -0.13 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1n50 s ILE 295 CO 0.03 -0.14 -0.05 -0.69 0.00 0.00 0.00 174.94 174.09 1n50 s VAL 296 N 1.59 3.84 -0.19 2.92 1.01 0.34 -1.17 120.40 128.74 1n50 s VAL 296 Ca 0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 1n50 s VAL 296 Cb -0.18 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1n50 s VAL 296 CO 0.07 0.58 0.09 0.20 0.00 0.00 0.00 175.10 176.04 1n50 s ASN 297 N -0.54 5.89 -0.24 3.32 0.01 -0.55 -0.39 114.94 122.44 1n50 s ASN 297 Ca 0.08 0.16 -0.02 0.00 -0.71 0.00 0.00 52.86 52.38 1n50 s ASN 297 Cb -0.12 -2.01 0.02 0.00 0.41 0.00 0.00 41.25 39.55 1n50 s ASN 297 CO 0.02 0.19 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.04 1n50 s VAL 298 N 0.30 2.87 0.00 1.60 1.01 0.64 -0.78 120.40 126.04 1n50 s VAL 298 Ca 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1n50 s VAL 298 Cb -0.12 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1n50 s VAL 298 CO -0.01 0.22 0.14 1.17 0.00 0.00 0.00 175.10 176.62 1n50 n LYS 299 N 4.67 0.00 -0.37 2.72 4.81 -0.19 -1.93 118.16 127.87 1n50 n LYS 299 Ca -0.17 0.05 0.37 0.00 -0.87 0.00 0.00 58.31 57.69 1n50 n LYS 299 Cb 0.47 -0.64 0.76 0.00 0.02 0.00 0.00 35.03 35.64 1n50 n LYS 299 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1n50 h GLU 300 N 0.00 0.01 -0.00 1.64 3.07 -1.88 0.32 114.58 117.74 1n50 h GLU 300 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1n50 h GLU 300 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1n50 h GLU 300 CO 0.00 0.01 -0.77 0.25 -1.40 0.00 0.00 179.01 177.10 1n50 n THR 301 N -4.16 0.00 -3.47 1.13 -2.24 -1.26 -4.62 114.28 99.66 1n50 n THR 301 Ca 0.28 -0.03 -0.18 0.00 -2.27 0.00 0.00 64.05 61.84 1n50 n THR 301 Cb 1.33 0.79 0.07 0.00 -2.10 0.00 0.00 70.33 70.42 1n50 n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n50 n GLY 302 N 1.48 -0.47 3.32 3.38 0.00 0.11 -1.28 105.19 111.73 1n50 n GLY 302 Ca 0.05 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1n50 n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n50 s LYS 303 N -5.38 1.81 -0.28 1.61 -0.14 -0.88 -1.25 119.74 115.23 1n50 s LYS 303 Ca 0.08 -1.04 -0.02 0.00 -1.36 0.00 0.00 55.97 53.63 1n50 s LYS 303 Cb -0.01 -1.92 0.04 0.00 -1.68 0.00 0.00 37.83 34.25 1n50 s LYS 303 CO 0.75 0.50 -0.03 0.08 -0.76 0.00 0.00 175.35 175.90 1n50 s VAL 304 N -0.75 2.95 -0.12 3.17 1.01 0.13 -0.26 120.40 126.53 1n50 s VAL 304 Ca 0.11 -1.23 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 1n50 s VAL 304 Cb -0.10 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1n50 s VAL 304 CO 0.01 0.02 0.27 -0.76 0.00 0.00 0.00 175.10 174.65 1n50 s LEU 305 N 1.28 4.33 -0.56 3.92 1.43 0.48 -1.36 118.68 128.21 1n50 s LEU 305 Ca -0.03 0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 53.56 1n50 s LEU 305 Cb -0.18 -2.32 0.14 0.00 0.03 0.00 0.00 46.19 43.85 1n50 s LEU 305 CO -0.02 0.24 0.44 -0.76 0.23 0.00 0.00 176.35 176.47 1n50 s LEU 306 N -0.28 5.84 -0.49 1.79 1.43 -0.34 -0.50 118.68 126.12 1n50 s LEU 306 Ca 0.17 -2.18 -0.21 0.00 -1.03 0.00 0.00 54.13 50.88 1n50 s LEU 306 Cb -0.13 -2.03 0.04 0.00 0.03 0.00 0.00 46.19 44.09 1n50 s LEU 306 CO 0.06 -0.64 0.72 -0.69 0.23 0.00 0.00 176.35 176.03 1n50 s VAL 307 N 0.96 4.73 -0.03 -1.59 1.01 0.25 -1.98 120.40 123.75 1n50 s VAL 307 Ca 0.09 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1n50 s VAL 307 Cb -0.23 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1n50 s VAL 307 CO -0.02 -0.80 1.01 0.21 0.00 0.00 0.00 175.10 175.50 1n50 s ASN 308 N 2.43 7.31 -0.18 3.32 3.84 -0.39 -1.02 114.94 130.25 1n50 s ASN 308 Ca 0.23 1.64 0.17 0.00 0.21 0.00 0.00 52.86 55.10 1n50 s ASN 308 Cb -0.15 -2.57 0.53 0.00 -0.55 0.00 0.00 41.25 38.52 1n50 s ASN 308 CO 0.17 -0.34 1.43 0.00 -2.79 0.00 0.00 177.10 175.57 1n50 n TYR 309 N 4.30 0.95 0.06 0.43 0.18 -0.06 -4.11 117.16 118.92 1n50 n TYR 309 Ca 0.07 -0.88 0.02 0.00 1.88 0.00 0.00 57.90 58.99 1n50 n TYR 309 Cb 0.50 -0.32 0.36 0.00 -0.38 0.00 0.00 39.34 39.50 1n50 n TYR 309 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1n50 h LYS 310 N 1.82 0.37 -2.67 -3.48 3.64 -1.94 -3.32 116.57 111.00 1n50 h LYS 310 Ca 0.00 -0.08 -0.58 0.00 -1.27 0.00 0.00 60.65 58.73 1n50 h LYS 310 Cb 1.45 -0.06 -0.39 0.00 -0.41 0.00 0.00 32.23 32.82 1n50 h LYS 310 CO 0.23 0.44 -0.83 0.34 -2.27 0.00 0.00 179.45 177.36 1n50 s ASP 311 N -6.81 3.12 0.38 4.20 2.15 -1.26 -5.01 116.67 113.44 1n50 s ASP 311 Ca -0.07 -2.11 0.28 0.00 0.43 0.00 0.00 52.55 51.08 1n50 s ASP 311 Cb 0.16 -0.46 1.31 0.00 -0.30 0.00 0.00 42.92 43.62 1n50 s ASP 311 CO 0.74 -0.32 1.83 -0.29 -0.17 0.00 0.00 175.17 176.96 1n50 h ILE 312 N 5.24 0.00 -0.04 4.11 2.10 -1.86 -3.05 117.51 124.01 1n50 h ILE 312 Ca 0.02 -0.17 -0.11 0.00 1.08 0.00 0.00 64.86 65.67 1n50 h ILE 312 Cb 0.97 0.91 0.01 0.00 -1.09 0.00 0.00 36.82 37.61 1n50 h ILE 312 CO 0.31 0.00 -0.41 0.44 -1.08 0.00 0.00 178.15 177.41 1n50 h ASP 313 N 0.00 0.43 -3.87 2.19 3.32 -1.94 -3.38 116.42 113.15 1n50 h ASP 313 Ca 0.00 -0.70 -0.68 0.00 0.02 0.00 0.00 57.03 55.66 1n50 h ASP 313 Cb 0.22 -0.13 -0.37 0.00 0.22 0.00 0.00 39.33 39.28 1n50 h ASP 313 CO 0.00 1.07 -0.53 0.20 -1.72 0.00 0.00 179.24 178.26 1n50 s ASN 314 N -6.51 5.02 0.25 6.45 0.01 -1.15 -5.08 114.94 113.93 1n50 s ASN 314 Ca -0.14 -2.48 -0.30 0.00 -0.71 0.00 0.00 52.86 49.23 1n50 s ASN 314 Cb 0.03 -1.78 -0.09 0.00 0.41 0.00 0.00 41.25 39.83 1n50 s ASN 314 CO 0.79 -0.41 1.13 -0.22 -1.51 0.00 0.00 177.10 176.87 1n50 s LEU 315 N 0.48 4.52 -0.13 0.60 2.96 -1.25 -4.74 118.68 121.11 1n50 s LEU 315 Ca 0.13 2.25 0.02 0.00 -0.22 0.00 0.00 54.13 56.31 1n50 s LEU 315 Cb -0.22 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1n50 s LEU 315 CO -0.04 -0.22 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.68 1n50 s THR 316 N -0.79 2.25 -0.09 3.68 2.01 -1.26 -5.04 115.64 116.41 1n50 s THR 316 Ca 0.47 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1n50 s THR 316 Cb -0.32 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.30 1n50 s THR 316 CO 0.40 0.54 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.06 1n50 s VAL 317 N 0.63 1.20 -0.25 3.82 1.01 -1.26 -1.27 120.40 124.27 1n50 s VAL 317 Ca -0.11 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1n50 s VAL 317 Cb -0.16 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1n50 s VAL 317 CO 0.02 0.38 0.19 -0.89 0.00 0.00 0.00 175.10 174.80 1n50 s THR 318 N 0.97 5.33 -0.33 3.92 2.01 -0.84 -4.93 115.64 121.78 1n50 s THR 318 Ca -0.08 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.02 1n50 s THR 318 Cb -0.15 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 1n50 s THR 318 CO -0.00 0.30 0.21 -0.55 -0.69 0.00 0.00 174.62 173.89 1n50 s SER 319 N 1.33 5.92 -0.18 3.53 0.15 -1.26 -1.20 113.70 122.00 1n50 s SER 319 Ca 0.08 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.29 1n50 s SER 319 Cb -0.15 -2.10 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1n50 s SER 319 CO 0.07 -0.20 -0.03 -0.63 1.20 0.00 0.00 173.24 173.65 1n50 s ILE 320 N 1.70 3.81 0.21 6.45 1.01 -0.46 -4.97 121.20 128.96 1n50 s ILE 320 Ca 0.06 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 1n50 s ILE 320 Cb -0.17 -2.69 -0.08 0.00 0.01 0.00 0.00 42.46 39.52 1n50 s ILE 320 CO 0.09 0.47 0.81 -0.83 0.00 0.00 0.00 174.94 175.49 1n50 s GLY 321 N 0.68 2.86 0.00 6.18 0.00 -1.26 0.17 107.32 115.95 1n50 s GLY 321 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1n50 s GLY 321 CO 0.02 0.85 0.00 0.00 0.00 0.00 0.00 173.10 173.97 1n50 n ALA 322 N 1.21 0.99 -3.52 3.20 0.00 -0.38 -4.89 120.51 117.12 1n50 n ALA 322 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 1n50 n ALA 322 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1n50 n ALA 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n50 s ALA 323 N -2.00 -1.73 0.75 0.00 0.00 -1.24 -5.02 121.76 112.53 1n50 s ALA 323 Ca 0.00 1.34 -0.15 0.00 0.00 0.00 0.00 51.96 53.15 1n50 s ALA 323 Cb 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1n50 s ALA 323 CO 0.00 -0.36 0.85 -2.30 0.00 0.00 0.00 175.76 173.94 1n50 n PRO 324 N 1.09 0.34 -3.32 0.00 -0.02 -1.26 -4.01 135.00 127.82 1n50 n PRO 324 Ca -0.19 0.17 -0.17 0.00 -2.02 0.00 0.00 63.50 61.29 1n50 n PRO 324 Cb 0.57 -2.12 0.07 0.00 -0.02 0.00 0.00 33.50 32.00 1n50 n PRO 324 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1n50 n PHE 325 N -2.67 -2.16 -2.01 6.00 3.72 -0.73 -4.36 117.46 115.25 1n50 n PHE 325 Ca 0.12 0.83 -0.41 0.00 -0.05 0.00 0.00 57.45 57.94 1n50 n PHE 325 Cb 0.50 -4.51 -0.02 0.00 -0.94 0.00 0.00 39.48 34.51 1n50 n PHE 325 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1n50 s LEU 326 N -6.02 4.39 0.00 4.37 1.43 -1.22 -2.31 118.68 119.31 1n50 s LEU 326 Ca 0.26 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 56.11 1n50 s LEU 326 Cb -0.11 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1n50 s LEU 326 CO 0.62 -0.68 0.00 1.57 0.23 0.00 0.00 176.35 178.09 1n50 n HIS 327 N 1.46 0.00 -2.52 0.29 -0.00 -0.21 -4.08 115.22 110.16 1n50 n HIS 327 Ca 0.03 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.95 1n50 n HIS 327 Cb 0.40 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.30 1n50 n HIS 327 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1n50 s ASP 328 N 1.00 5.72 0.00 0.26 -4.77 -1.26 -2.78 116.67 114.84 1n50 s ASP 328 Ca 0.00 0.67 0.00 0.00 -3.30 0.00 0.00 52.55 49.92 1n50 s ASP 328 Cb 0.00 -1.75 0.00 0.00 -1.09 0.00 0.00 42.92 40.08 1n50 s ASP 328 CO 0.00 -0.94 0.00 0.61 0.70 0.00 0.00 175.17 175.54 1n50 n GLY 329 N -2.46 -0.86 3.80 2.12 0.00 -0.46 -1.08 105.19 106.26 1n50 n GLY 329 Ca 0.03 -1.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 1n50 n GLY 329 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n50 s GLY 330 N 0.00 -0.06 0.82 -0.02 0.00 0.60 -4.21 107.32 104.44 1n50 s GLY 330 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 1n50 s GLY 330 CO 0.00 0.66 1.09 -0.98 0.00 0.00 0.00 173.10 173.87 1n50 s TRP 331 N -2.90 2.52 0.61 1.90 0.23 -1.26 -0.06 118.94 119.99 1n50 s TRP 331 Ca 0.15 1.39 -0.01 0.00 -2.03 0.00 0.00 56.10 55.60 1n50 s TRP 331 Cb -0.02 -3.09 0.05 0.00 0.03 0.00 0.00 33.47 30.44 1n50 s TRP 331 CO 0.04 -2.01 0.87 0.16 0.96 0.00 0.00 176.95 176.97 1n50 s ASP 332 N -3.48 5.03 0.55 2.95 -4.77 -0.67 -4.79 116.67 111.49 1n50 s ASP 332 Ca 0.62 0.07 0.29 0.00 -3.30 0.00 0.00 52.55 50.24 1n50 s ASP 332 Cb -0.17 -0.83 1.46 0.00 -1.09 0.00 0.00 42.92 42.29 1n50 s ASP 332 CO 0.56 -1.36 1.92 0.77 0.70 0.00 0.00 175.17 177.76 1n50 h SER 333 N -0.19 0.00 1.01 2.11 4.64 -1.89 0.18 113.55 119.41 1n50 h SER 333 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1n50 h SER 333 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1n50 h SER 333 CO 0.53 0.00 -0.38 -1.54 -0.87 0.00 0.00 176.83 174.57 1n50 n SER 334 N -4.19 0.64 -1.02 4.97 3.41 -1.26 -4.95 113.62 111.22 1n50 n SER 334 Ca 0.14 0.24 -0.09 0.00 -0.26 0.00 0.00 58.87 58.90 1n50 n SER 334 Cb 0.82 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 1n50 n SER 334 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1n50 n HIS 335 N -2.02 -0.41 -0.03 7.33 8.25 0.05 -4.92 115.22 123.47 1n50 n HIS 335 Ca 0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1n50 n HIS 335 Cb 0.41 -2.27 -0.04 0.00 1.12 0.00 0.00 29.99 29.21 1n50 n HIS 335 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1n50 n ARG 336 N -1.92 2.78 -3.95 -0.41 0.00 -1.26 -4.68 116.66 107.21 1n50 n ARG 336 Ca -0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.39 1n50 n ARG 336 Cb 0.57 -1.15 -0.13 0.00 0.00 0.00 0.00 32.46 31.75 1n50 n ARG 336 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1n50 s TYR 337 N -2.14 3.05 -0.34 -0.14 2.02 -1.26 -1.31 117.35 117.23 1n50 s TYR 337 Ca -0.04 -0.50 -0.23 0.00 -0.37 0.00 0.00 57.07 55.93 1n50 s TYR 337 Cb 0.02 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 1n50 s TYR 337 CO 0.23 -0.31 0.78 0.12 -1.57 0.00 0.00 175.55 174.80 1n50 s PHE 338 N 1.23 3.15 -0.53 2.71 5.36 -0.01 -1.68 117.98 128.21 1n50 s PHE 338 Ca 0.04 0.67 -0.18 0.00 -0.96 0.00 0.00 56.93 56.50 1n50 s PHE 338 Cb -0.15 -3.31 0.08 0.00 -0.34 0.00 0.00 43.02 39.30 1n50 s PHE 338 CO 0.02 -0.65 0.60 -1.64 -1.46 0.00 0.00 175.22 172.09 1n50 s MET 339 N 3.03 3.06 0.02 10.12 -1.94 0.91 -1.54 119.30 132.96 1n50 s MET 339 Ca 0.32 -1.18 0.09 0.00 -1.71 0.00 0.00 55.69 53.21 1n50 s MET 339 Cb -0.14 -4.18 -0.03 0.00 2.01 0.00 0.00 34.83 32.50 1n50 s MET 339 CO 0.15 -1.30 -0.26 -0.08 -0.01 0.00 0.00 175.02 173.51 1n50 s THR 340 N 2.40 2.09 -0.16 2.05 -1.32 -0.74 -0.29 115.64 119.67 1n50 s THR 340 Ca 0.11 -1.28 -0.14 0.00 -1.21 0.00 0.00 61.69 59.16 1n50 s THR 340 Cb -0.23 -1.77 -0.05 0.00 -1.51 0.00 0.00 72.50 68.95 1n50 s THR 340 CO 0.08 0.44 0.32 0.00 -2.21 0.00 0.00 174.62 173.25 1n50 s ALA 341 N -0.73 3.57 -1.14 11.08 0.00 -0.24 0.45 121.76 134.75 1n50 s ALA 341 Ca 0.11 -0.42 -0.08 0.00 0.00 0.00 0.00 51.96 51.57 1n50 s ALA 341 Cb -0.10 -2.43 0.26 0.00 0.00 0.00 0.00 23.12 20.86 1n50 s ALA 341 CO 0.01 0.07 1.36 0.00 0.00 0.00 0.00 175.76 177.21 1n50 n ALA 342 N 3.60 4.62 -0.36 0.00 0.00 0.78 -1.04 120.51 128.12 1n50 n ALA 342 Ca -0.11 -4.62 -0.11 0.00 0.00 0.00 0.00 53.44 48.60 1n50 n ALA 342 Cb 0.52 -2.56 -0.09 0.00 0.00 0.00 0.00 19.45 17.31 1n50 n ALA 342 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1n50 h ASN 343 N 6.21 -2.07 0.56 0.00 7.08 -1.67 -1.22 115.58 124.47 1n50 h ASN 343 Ca 0.23 0.31 0.00 0.00 -3.08 0.00 0.00 56.30 53.76 1n50 h ASN 343 Cb 0.76 0.91 0.00 0.00 -2.08 0.00 0.00 38.32 37.91 1n50 h ASN 343 CO 1.22 -0.27 0.00 0.59 -2.08 0.00 0.00 177.43 176.89 1n50 n ASN 344 N -5.29 0.23 -0.46 6.14 5.03 -1.26 -1.30 115.26 118.35 1n50 n ASN 344 Ca 0.01 0.56 0.12 0.00 0.87 0.00 0.00 54.58 56.14 1n50 n ASN 344 Cb 0.28 -0.61 0.15 0.00 -1.02 0.00 0.00 39.78 38.59 1n50 n ASN 344 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1n50 n SER 345 N -1.75 1.78 -3.50 6.41 7.64 -0.61 -4.96 113.62 118.63 1n50 n SER 345 Ca 0.03 -1.37 -0.26 0.00 1.01 0.00 0.00 58.87 58.28 1n50 n SER 345 Cb 0.19 0.31 0.03 0.00 -1.01 0.00 0.00 64.21 63.72 1n50 n SER 345 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1n50 n ASN 346 N -0.08 -5.09 -4.27 6.43 3.02 -0.42 -4.97 115.26 109.87 1n50 n ASN 346 Ca 0.11 -0.52 -0.15 0.00 -0.03 0.00 0.00 54.58 53.99 1n50 n ASN 346 Cb 0.44 -4.10 -0.10 0.00 -0.61 0.00 0.00 39.78 35.41 1n50 n ASN 346 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n50 s LYS 347 N -6.19 1.12 -0.21 3.52 1.02 -1.02 -2.06 119.74 115.92 1n50 s LYS 347 Ca 0.50 -1.50 0.02 0.00 0.02 0.00 0.00 55.97 55.00 1n50 s LYS 347 Cb -0.24 -0.59 0.04 0.00 -0.52 0.00 0.00 37.83 36.52 1n50 s LYS 347 CO 0.61 0.02 -0.14 0.08 -0.92 0.00 0.00 175.35 175.01 1n50 s VAL 348 N -3.37 1.95 0.11 3.17 1.01 -0.16 -0.15 120.40 122.95 1n50 s VAL 348 Ca 0.20 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 1n50 s VAL 348 Cb 0.03 -1.93 -0.07 0.00 0.00 0.00 0.00 36.38 34.41 1n50 s VAL 348 CO 0.02 0.25 0.72 0.00 0.00 0.00 0.00 175.10 176.09 1n50 s ALA 349 N 1.27 3.46 -0.33 5.51 0.00 0.17 -1.35 121.76 130.48 1n50 s ALA 349 Ca -0.01 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.14 1n50 s ALA 349 Cb -0.16 -2.88 0.04 0.00 0.00 0.00 0.00 23.12 20.12 1n50 s ALA 349 CO -0.09 0.25 0.09 0.08 0.00 0.00 0.00 175.76 176.09 1n50 s VAL 350 N -0.81 3.66 -0.29 0.00 1.01 -0.47 -1.79 120.40 121.71 1n50 s VAL 350 Ca 0.35 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1n50 s VAL 350 Cb -0.21 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1n50 s VAL 350 CO 0.23 -0.18 0.19 -0.63 0.00 0.00 0.00 175.10 174.72 1n50 s ILE 351 N 1.38 5.21 -0.49 2.22 1.09 -0.59 0.50 121.20 130.51 1n50 s ILE 351 Ca -0.02 0.03 -0.27 0.00 -1.10 0.00 0.00 60.65 59.29 1n50 s ILE 351 Cb -0.20 -3.53 0.03 0.00 -1.06 0.00 0.00 42.46 37.70 1n50 s ILE 351 CO 0.02 0.18 1.03 -0.62 -0.10 0.00 0.00 174.94 175.45 1n50 s ASP 352 N 1.73 6.52 0.17 3.58 -1.08 -0.15 -0.83 116.67 126.62 1n50 s ASP 352 Ca 0.07 0.19 0.25 0.00 -0.52 0.00 0.00 52.55 52.54 1n50 s ASP 352 Cb -0.16 -2.49 0.91 0.00 -1.46 0.00 0.00 42.92 39.71 1n50 s ASP 352 CO 0.10 -1.19 1.76 -1.54 0.52 0.00 0.00 175.17 174.83 1n50 n SER 353 N 7.57 0.59 -0.08 -0.34 3.41 -0.43 -0.83 113.62 123.50 1n50 n SER 353 Ca 0.08 0.58 -0.14 0.00 -0.26 0.00 0.00 58.87 59.13 1n50 n SER 353 Cb 0.49 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 1n50 n SER 353 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1n50 h LYS 354 N 0.00 0.00 0.00 4.33 3.64 -1.91 -3.37 116.57 119.26 1n50 h LYS 354 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n50 h LYS 354 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1n50 h LYS 354 CO 0.00 0.64 -0.01 -0.25 -2.27 0.00 0.00 179.45 177.55 1n50 n ASP 355 N -4.55 0.57 -3.25 4.20 8.00 -1.25 -4.97 116.55 115.30 1n50 n ASP 355 Ca -0.19 0.54 -0.15 0.00 0.71 0.00 0.00 54.79 55.70 1n50 n ASP 355 Cb 0.47 -0.69 0.07 0.00 -0.02 0.00 0.00 41.12 40.96 1n50 n ASP 355 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n50 n ARG 356 N -2.03 -2.96 -3.94 -1.24 1.74 -0.01 -5.03 116.66 103.18 1n50 n ARG 356 Ca 0.06 0.85 -0.09 0.00 -0.77 0.00 0.00 57.85 57.90 1n50 n ARG 356 Cb 0.40 -5.77 -0.03 0.00 -1.02 0.00 0.00 32.46 26.03 1n50 n ARG 356 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1n50 s ARG 357 N -4.53 1.72 -0.33 5.56 1.70 -1.04 -5.01 118.95 117.01 1n50 s ARG 357 Ca 0.37 -1.21 -0.22 0.00 -0.47 0.00 0.00 55.73 54.20 1n50 s ARG 357 Cb -0.05 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 1n50 s ARG 357 CO 0.73 -0.75 0.73 -1.17 -1.08 0.00 0.00 175.30 173.76 1n50 s LEU 358 N -3.00 4.13 0.18 -1.89 2.96 -1.26 -0.98 118.68 118.82 1n50 s LEU 358 Ca 0.18 0.45 0.09 0.00 -0.22 0.00 0.00 54.13 54.64 1n50 s LEU 358 Cb -0.03 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1n50 s LEU 358 CO 0.09 -0.62 1.38 0.28 -1.32 0.00 0.00 176.35 176.16 1n50 h SER 359 N 8.28 0.00 0.00 3.68 0.02 -0.31 -3.48 113.55 121.75 1n50 h SER 359 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1n50 h SER 359 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1n50 h SER 359 CO 0.87 0.84 0.00 0.00 -1.14 0.00 0.00 176.83 177.39 1n50 n ALA 360 N -2.34 0.00 -3.75 3.77 0.00 -1.22 -4.98 120.51 111.99 1n50 n ALA 360 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1n50 n ALA 360 Cb 0.84 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.13 1n50 n ALA 360 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n50 s LEU 361 N 0.00 1.67 -0.17 0.00 1.43 -1.26 -1.37 118.68 118.97 1n50 s LEU 361 Ca 0.00 -1.15 -0.13 0.00 -1.03 0.00 0.00 54.13 51.81 1n50 s LEU 361 Cb 0.00 -0.74 -0.05 0.00 0.03 0.00 0.00 46.19 45.43 1n50 s LEU 361 CO 0.00 -0.34 0.27 -0.69 0.23 0.00 0.00 176.35 175.82 1n50 s VAL 362 N 1.73 5.32 -0.24 -1.59 1.01 -0.46 -4.90 120.40 121.28 1n50 s VAL 362 Ca 0.02 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 1n50 s VAL 362 Cb -0.17 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1n50 s VAL 362 CO -0.15 0.39 1.11 -1.81 0.00 0.00 0.00 175.10 174.64 1n50 s ASP 363 N 0.49 7.01 0.00 3.32 1.01 -1.26 -0.99 116.67 126.24 1n50 s ASP 363 Ca 0.15 1.37 0.00 0.00 0.71 0.00 0.00 52.55 54.78 1n50 s ASP 363 Cb -0.13 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1n50 s ASP 363 CO 0.03 -0.76 0.00 1.33 0.21 0.00 0.00 175.17 175.98 1n50 n VAL 364 N 5.50 0.00 -1.86 -1.27 0.24 -0.87 -4.80 118.33 115.27 1n50 n VAL 364 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 1n50 n VAL 364 Cb 0.46 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 1n50 n VAL 364 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n50 n GLY 365 N 5.00 0.20 3.63 7.63 0.00 -1.26 -4.88 105.19 115.51 1n50 n GLY 365 Ca 0.00 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 1n50 n GLY 365 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n50 s LYS 366 N -2.52 3.79 -0.49 1.61 1.02 -1.26 -4.12 119.74 117.77 1n50 s LYS 366 Ca 0.00 1.72 -0.19 0.00 0.02 0.00 0.00 55.97 57.52 1n50 s LYS 366 Cb 0.00 -4.05 0.03 0.00 -0.52 0.00 0.00 37.83 33.28 1n50 s LYS 366 CO 0.00 -1.31 0.63 2.41 -0.92 0.00 0.00 175.35 176.16 1n50 n THR 367 N 6.41 -8.89 -2.04 2.17 -1.04 -1.25 -1.02 114.28 108.63 1n50 n THR 367 Ca 0.19 0.52 -0.40 0.00 -2.04 0.00 0.00 64.05 62.32 1n50 n THR 367 Cb 0.45 -6.14 -0.01 0.00 -1.82 0.00 0.00 70.33 62.80 1n50 n THR 367 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1n50 s PRO 368 N -2.73 4.23 -0.45 -2.82 0.02 -1.26 -0.91 135.00 131.08 1n50 s PRO 368 Ca 0.24 2.28 0.05 0.00 0.02 0.00 0.00 61.00 63.59 1n50 s PRO 368 Cb -0.05 -2.99 0.18 0.00 0.02 0.00 0.00 34.50 31.66 1n50 s PRO 368 CO 0.80 -0.32 0.51 -1.58 -0.33 0.00 0.00 177.00 176.08 1n50 s HIS 369 N -1.16 -0.22 -0.72 6.54 2.46 -0.73 -4.43 115.29 117.03 1n50 s HIS 369 Ca 0.51 -1.40 0.26 0.00 0.47 0.00 0.00 55.06 54.90 1n50 s HIS 369 Cb -0.41 -0.33 0.73 0.00 -0.13 0.00 0.00 32.58 32.44 1n50 s HIS 369 CO 0.54 -1.04 1.70 -0.35 -2.47 0.00 0.00 174.74 173.12 1n50 n PRO 370 N 3.07 0.27 0.00 2.88 -0.04 -1.26 -4.32 135.00 135.59 1n50 n PRO 370 Ca 0.23 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1n50 n PRO 370 Cb 0.51 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1n50 n PRO 370 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n50 n GLY 371 N 1.31 2.58 0.07 0.55 0.00 -1.26 -0.73 105.19 107.72 1n50 n GLY 371 Ca 0.05 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1n50 n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n50 n ARG 372 N 6.95 1.73 0.00 1.61 1.74 -1.26 -1.35 116.66 126.07 1n50 n ARG 372 Ca 0.00 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1n50 n ARG 372 Cb 0.00 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1n50 n ARG 372 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n50 n GLY 373 N 1.34 -0.12 2.89 -0.13 0.00 0.09 -3.49 105.19 105.76 1n50 n GLY 373 Ca 0.04 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 1n50 n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n50 s ALA 374 N -1.47 1.40 -0.08 4.61 0.00 -0.99 -4.81 121.76 120.41 1n50 s ALA 374 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1n50 s ALA 374 Cb 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 1n50 s ALA 374 CO 0.00 -0.66 0.25 -0.80 0.00 0.00 0.00 175.76 174.55 1n50 s ASN 375 N 1.67 6.54 -0.17 0.00 0.01 -1.25 -0.36 114.94 121.38 1n50 s ASN 375 Ca 0.02 0.64 -0.30 0.00 -0.71 0.00 0.00 52.86 52.52 1n50 s ASN 375 Cb -0.14 -2.14 0.13 0.00 0.41 0.00 0.00 41.25 39.50 1n50 s ASN 375 CO -0.08 0.35 0.99 0.72 -1.51 0.00 0.00 177.10 177.57 1n50 s PHE 376 N -0.87 -0.39 -0.32 2.20 -0.12 -1.04 -4.75 117.98 112.69 1n50 s PHE 376 Ca 0.18 0.71 -0.25 0.00 -0.05 0.00 0.00 56.93 57.52 1n50 s PHE 376 Cb -0.14 0.44 0.01 0.00 -0.63 0.00 0.00 43.02 42.70 1n50 s PHE 376 CO 0.07 -0.34 0.86 0.08 -0.05 0.00 0.00 175.22 175.85 1n50 s VAL 377 N -0.95 4.71 0.24 -2.49 1.01 -1.26 -1.77 120.40 119.88 1n50 s VAL 377 Ca -0.01 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 1n50 s VAL 377 Cb -0.01 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 1n50 s VAL 377 CO 0.01 -0.33 0.99 -2.28 0.00 0.00 0.00 175.10 173.49 1n50 s HIS 378 N 3.16 3.85 0.57 5.22 2.46 -0.48 -4.91 115.29 125.15 1n50 s HIS 378 Ca 0.36 1.84 0.26 0.00 0.47 0.00 0.00 55.06 57.99 1n50 s HIS 378 Cb -0.13 -3.08 1.64 0.00 -0.13 0.00 0.00 32.58 30.88 1n50 s HIS 378 CO 0.14 0.12 2.19 -1.00 -2.47 0.00 0.00 174.74 173.71 1n50 h PRO 379 N 4.18 0.00 0.00 2.88 0.13 -1.89 -2.82 132.00 134.48 1n50 h PRO 379 Ca -0.45 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.44 1n50 h PRO 379 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1n50 h PRO 379 CO 0.68 0.00 -1.69 1.17 -0.23 0.00 0.00 178.00 177.93 1n50 n LYS 380 N -4.02 0.40 -0.17 0.86 4.81 -1.26 -4.75 118.16 114.04 1n50 n LYS 380 Ca -0.01 0.17 0.05 0.00 -0.87 0.00 0.00 58.31 57.65 1n50 n LYS 380 Cb 0.16 -1.18 0.14 0.00 0.02 0.00 0.00 35.03 34.17 1n50 n LYS 380 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n50 n TYR 381 N -3.97 0.44 -4.46 5.64 4.01 -1.25 -5.04 117.16 112.53 1n50 n TYR 381 Ca -0.30 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 1n50 n TYR 381 Cb 0.65 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 1n50 n TYR 381 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n50 n GLY 382 N 1.00 -1.00 3.71 2.72 0.00 -1.06 -4.82 105.19 105.74 1n50 n GLY 382 Ca 0.11 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 1n50 n GLY 382 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n50 n PRO 383 N -0.50 2.37 -4.19 1.61 -0.02 -1.26 -1.39 135.00 131.63 1n50 n PRO 383 Ca 0.00 0.84 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 1n50 n PRO 383 Cb 0.00 -2.56 -0.10 0.00 -0.02 0.00 0.00 33.50 30.81 1n50 n PRO 383 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1n50 s VAL 384 N -0.01 0.17 -0.06 -1.45 -7.23 -0.73 -2.02 120.40 109.08 1n50 s VAL 384 Ca 0.66 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1n50 s VAL 384 Cb -0.57 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.14 1n50 s VAL 384 CO 0.49 -0.29 -0.13 0.86 -0.31 0.00 0.00 175.10 175.71 1n50 s TRP 385 N -4.02 1.47 0.33 2.82 -0.00 0.22 -2.50 118.94 117.26 1n50 s TRP 385 Ca 0.30 -0.50 0.10 0.00 -0.00 0.00 0.00 56.10 55.99 1n50 s TRP 385 Cb 0.07 -1.05 -0.06 0.00 -0.00 0.00 0.00 33.47 32.43 1n50 s TRP 385 CO 0.06 -0.24 -0.05 -1.54 -0.00 0.00 0.00 176.95 175.18 1n50 s SER 386 N 0.48 3.99 -0.02 5.86 1.04 0.51 -0.80 113.70 124.75 1n50 s SER 386 Ca -0.11 -1.03 -0.22 0.00 0.48 0.00 0.00 55.95 55.06 1n50 s SER 386 Cb -0.14 -0.47 0.05 0.00 0.10 0.00 0.00 66.02 65.56 1n50 s SER 386 CO 0.03 -0.17 0.49 0.28 0.98 0.00 0.00 173.24 174.85 1n50 s THR 387 N -2.53 0.03 0.48 2.02 -1.32 -0.73 -2.36 115.64 111.24 1n50 s THR 387 Ca 0.33 -0.26 0.04 0.00 -1.21 0.00 0.00 61.69 60.59 1n50 s THR 387 Cb -0.01 -0.83 0.04 0.00 -1.51 0.00 0.00 72.50 70.19 1n50 s THR 387 CO 0.18 -0.14 0.30 -1.54 -2.21 0.00 0.00 174.62 171.20 1n50 n SER 388 N 0.99 2.69 -4.34 8.08 3.41 -1.26 -1.12 113.62 122.07 1n50 n SER 388 Ca -0.20 -2.74 -0.17 0.00 -0.26 0.00 0.00 58.87 55.49 1n50 n SER 388 Cb 0.57 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 1n50 n SER 388 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1n50 s HIS 389 N -2.47 1.59 -0.22 7.33 0.09 -1.23 -1.78 115.29 118.61 1n50 s HIS 389 Ca 0.23 -0.97 0.12 0.00 -0.00 0.00 0.00 55.06 54.43 1n50 s HIS 389 Cb -0.02 -0.94 -0.22 0.00 -0.00 0.00 0.00 32.58 31.40 1n50 s HIS 389 CO 0.14 -0.09 -0.04 1.28 -0.00 0.00 0.00 174.74 176.03 1n50 n LEU 390 N -0.45 1.09 0.14 0.89 4.77 -0.09 -1.35 117.00 121.99 1n50 n LEU 390 Ca -0.04 -0.05 0.02 0.00 -0.03 0.00 0.00 56.01 55.91 1n50 n LEU 390 Cb 0.65 -0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.82 1n50 n LEU 390 CO 0.37 0.66 0.49 1.23 -1.33 0.00 0.00 177.39 178.81 1n50 h GLY 391 N 3.23 0.00 -0.83 -0.72 0.00 -1.17 -0.17 103.07 103.41 1n50 h GLY 391 Ca -0.55 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.61 1n50 h GLY 391 CO -0.01 0.00 -0.11 2.09 0.00 0.00 0.00 176.54 178.51 1n50 n ASP 392 N -3.34 -0.67 -1.35 0.19 5.68 -1.22 -4.85 116.55 110.99 1n50 n ASP 392 Ca 0.01 -2.05 0.09 0.00 -0.50 0.00 0.00 54.79 52.34 1n50 n ASP 392 Cb 0.70 1.29 0.30 0.00 -1.14 0.00 0.00 41.12 42.27 1n50 n ASP 392 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n50 n GLY 393 N -0.32 2.23 3.91 6.12 0.00 -1.26 -3.49 105.19 112.39 1n50 n GLY 393 Ca 0.01 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 1n50 n GLY 393 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n50 s SER 394 N -0.88 4.92 -0.19 1.61 1.04 -1.26 -0.70 113.70 118.23 1n50 s SER 394 Ca 0.44 0.74 -0.05 0.00 0.48 0.00 0.00 55.95 57.56 1n50 s SER 394 Cb 0.27 -1.40 0.07 0.00 0.10 0.00 0.00 66.02 65.06 1n50 s SER 394 CO 0.24 -1.60 0.13 -0.63 0.98 0.00 0.00 173.24 172.36 1n50 s ILE 395 N -3.36 -0.15 0.06 -1.02 1.01 -0.40 -3.47 121.20 113.87 1n50 s ILE 395 Ca 0.60 -0.22 -0.27 0.00 0.00 0.00 0.00 60.65 60.76 1n50 s ILE 395 Cb -0.11 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 1n50 s ILE 395 CO 0.48 -0.31 0.86 -0.44 0.00 0.00 0.00 174.94 175.53 1n50 s SER 396 N 2.19 7.33 -0.21 3.58 0.01 -0.28 -1.58 113.70 124.74 1n50 s SER 396 Ca 0.04 1.60 -0.04 0.00 1.31 0.00 0.00 55.95 58.86 1n50 s SER 396 Cb -0.16 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1n50 s SER 396 CO -0.13 -0.04 -0.04 -0.76 0.41 0.00 0.00 173.24 172.67 1n50 s LEU 397 N 0.08 2.93 -0.14 2.44 1.43 -0.75 -1.78 118.68 122.89 1n50 s LEU 397 Ca 0.43 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1n50 s LEU 397 Cb -0.22 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 1n50 s LEU 397 CO 0.26 0.00 -0.16 -0.63 0.23 0.00 0.00 176.35 176.05 1n50 s ILE 398 N 1.36 2.61 0.29 -0.59 1.01 0.01 -1.00 121.20 124.89 1n50 s ILE 398 Ca 0.04 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 1n50 s ILE 398 Cb -0.14 -2.08 -0.10 0.00 0.01 0.00 0.00 42.46 40.14 1n50 s ILE 398 CO -0.02 0.52 1.29 -0.83 0.00 0.00 0.00 174.94 175.90 1n50 s GLY 399 N 0.68 2.85 -0.09 6.18 0.00 -1.01 -0.61 107.32 115.32 1n50 s GLY 399 Ca -0.08 1.18 0.13 0.00 0.00 0.00 0.00 44.72 45.96 1n50 s GLY 399 CO 0.02 1.91 1.11 -1.30 0.00 0.00 0.00 173.10 174.85 1n50 n THR 400 N 1.34 1.28 -3.78 0.90 -2.24 -0.86 -1.30 114.28 109.63 1n50 n THR 400 Ca 0.02 -1.63 -0.33 0.00 -2.27 0.00 0.00 64.05 59.83 1n50 n THR 400 Cb 0.42 0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 1n50 n THR 400 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n50 s ASP 401 N -2.32 5.14 0.26 3.42 2.15 -1.26 -4.93 116.67 119.14 1n50 s ASP 401 Ca 0.23 -3.30 -0.04 0.00 0.43 0.00 0.00 52.55 49.87 1n50 s ASP 401 Cb 0.21 -1.78 0.32 0.00 -0.30 0.00 0.00 42.92 41.37 1n50 s ASP 401 CO 0.01 -0.24 1.88 -0.65 -0.17 0.00 0.00 175.17 176.00 1n50 h PRO 402 N 6.34 1.12 0.00 4.34 0.11 -1.93 -0.89 132.00 141.09 1n50 h PRO 402 Ca 0.05 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1n50 h PRO 402 Cb 0.87 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1n50 h PRO 402 CO 0.74 0.83 0.00 1.63 -0.21 0.00 0.00 178.00 180.99 1n50 n LYS 403 N -4.34 0.00 0.01 1.05 5.02 -1.26 -3.35 118.16 115.29 1n50 n LYS 403 Ca 0.08 0.43 0.14 0.00 -2.02 0.00 0.00 58.31 56.94 1n50 n LYS 403 Cb 0.11 -1.29 0.52 0.00 -0.02 0.00 0.00 35.03 34.36 1n50 n LYS 403 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n50 n ASN 404 N -1.79 0.16 -2.99 4.39 3.02 -1.25 -4.31 115.26 112.48 1n50 n ASN 404 Ca 0.00 0.35 -0.14 0.00 -0.03 0.00 0.00 54.58 54.75 1n50 n ASN 404 Cb 0.00 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1n50 n ASN 404 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1n50 n HIS 405 N -1.56 -0.03 0.27 3.10 8.25 -0.35 -4.97 115.22 119.95 1n50 n HIS 405 Ca 0.07 -3.31 0.18 0.00 -0.26 0.00 0.00 57.72 54.40 1n50 n HIS 405 Cb 0.35 -0.10 0.97 0.00 1.12 0.00 0.00 29.99 32.32 1n50 n HIS 405 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1n50 h PRO 406 N 2.96 0.00 0.00 -0.41 0.13 -1.55 -1.76 132.00 131.37 1n50 h PRO 406 Ca 0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 1n50 h PRO 406 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1n50 h PRO 406 CO 0.44 0.00 -0.41 -0.56 -0.23 0.00 0.00 178.00 177.23 1n50 h GLN 407 N 0.00 0.00 -0.00 0.86 -0.00 -1.90 -3.23 115.11 110.84 1n50 h GLN 407 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1n50 h GLN 407 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.50 1n50 h GLN 407 CO 0.00 0.41 -0.52 0.66 -0.00 0.00 0.00 178.83 179.38 1n50 n TYR 408 N -3.31 0.00 -1.76 0.06 4.01 -0.71 -4.94 117.16 110.52 1n50 n TYR 408 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1n50 n TYR 408 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.63 1n50 n TYR 408 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1n50 s ALA 409 N -2.14 3.83 -1.73 -0.72 0.00 -0.93 -2.36 121.76 117.71 1n50 s ALA 409 Ca 0.09 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1n50 s ALA 409 Cb 0.12 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1n50 s ALA 409 CO 0.50 -1.05 0.00 0.91 0.00 0.00 0.00 175.76 176.13 1n50 n TRP 410 N 4.82 -0.93 -5.13 0.00 5.03 -0.42 -4.95 117.44 115.86 1n50 n TRP 410 Ca 0.16 0.00 -0.32 0.00 3.03 0.00 0.00 57.50 60.38 1n50 n TRP 410 Cb 0.37 -3.85 -0.15 0.00 -1.03 0.00 0.00 31.31 26.65 1n50 n TRP 410 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1n50 s LYS 411 N -4.97 2.43 -1.13 -0.99 1.02 -0.99 -4.75 119.74 110.35 1n50 s LYS 411 Ca 0.00 -0.83 -0.23 0.00 0.02 0.00 0.00 55.97 54.93 1n50 s LYS 411 Cb 0.00 -2.22 -0.06 0.00 -0.52 0.00 0.00 37.83 35.03 1n50 s LYS 411 CO 0.00 0.51 1.90 0.21 -0.92 0.00 0.00 175.35 177.06 1n50 s LYS 412 N -0.47 2.68 0.27 1.68 2.20 -1.26 -2.39 119.74 122.44 1n50 s LYS 412 Ca 0.06 -1.07 -0.01 0.00 -0.36 0.00 0.00 55.97 54.58 1n50 s LYS 412 Cb -0.12 -5.24 0.45 0.00 -1.51 0.00 0.00 37.83 31.41 1n50 s LYS 412 CO 0.01 -3.65 1.86 -0.24 -0.36 0.00 0.00 175.35 172.98 1n50 h VAL 413 N 6.36 1.03 -3.38 4.02 3.04 -1.38 -3.47 116.25 122.46 1n50 h VAL 413 Ca 0.21 -0.38 -0.08 0.00 -1.01 0.00 0.00 66.70 65.45 1n50 h VAL 413 Cb 0.95 -0.17 -0.04 0.00 -2.01 0.00 0.00 31.29 30.02 1n50 h VAL 413 CO 1.25 0.20 0.09 0.00 -1.01 0.00 0.00 177.57 178.10 1n50 s ALA 414 N -6.01 -0.34 -0.09 3.17 0.00 -1.17 -5.04 121.76 112.27 1n50 s ALA 414 Ca -0.12 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 1n50 s ALA 414 Cb 0.21 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.23 1n50 s ALA 414 CO 0.81 -0.92 0.23 -2.00 0.00 0.00 0.00 175.76 173.88 1n50 s GLU 415 N -2.94 0.26 0.21 0.00 2.12 -1.26 -1.80 118.70 115.28 1n50 s GLU 415 Ca 0.20 0.36 0.10 0.00 0.36 0.00 0.00 54.97 55.99 1n50 s GLU 415 Cb -0.03 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1n50 s GLU 415 CO 0.13 -0.06 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.16 1n50 s LEU 416 N 0.35 2.87 -0.11 2.70 1.43 -0.61 -4.96 118.68 120.35 1n50 s LEU 416 Ca -0.02 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1n50 s LEU 416 Cb -0.03 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 1n50 s LEU 416 CO -0.01 0.08 -0.22 -1.10 0.23 0.00 0.00 176.35 175.33 1n50 s GLN 417 N -3.03 3.12 0.00 1.70 -1.52 -1.26 -1.27 119.66 117.39 1n50 s GLN 417 Ca 0.26 -0.84 0.00 0.00 -1.95 0.00 0.00 55.36 52.83 1n50 s GLN 417 Cb -0.08 -2.38 0.00 0.00 -0.22 0.00 0.00 33.01 30.34 1n50 s GLN 417 CO 0.15 0.17 0.00 0.41 -0.25 0.00 0.00 175.29 175.77 1n50 n GLY 418 N 3.56 2.83 0.28 3.09 0.00 0.12 -4.79 105.19 110.29 1n50 n GLY 418 Ca -0.19 -2.09 0.14 0.00 0.00 0.00 0.00 46.02 43.88 1n50 n GLY 418 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1n50 h GLN 419 N 0.00 0.00 0.00 1.61 4.20 -1.95 -3.47 115.11 115.50 1n50 h GLN 419 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n50 h GLN 419 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1n50 h GLN 419 CO 0.00 0.08 0.00 0.41 -0.67 0.00 0.00 178.83 178.65 1n50 n GLY 420 N -0.81 -0.39 1.06 3.46 0.00 -1.26 -5.03 105.19 102.21 1n50 n GLY 420 Ca -0.02 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 1n50 n GLY 420 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n50 n GLY 421 N 0.00 -0.92 1.58 -0.02 0.00 -1.23 -4.10 105.19 100.51 1n50 n GLY 421 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1n50 n GLY 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n50 n GLY 422 N 2.67 0.58 3.79 -0.02 0.00 -0.08 -4.03 105.19 108.10 1n50 n GLY 422 Ca 0.05 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1n50 n GLY 422 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n50 s SER 423 N -2.17 5.98 0.00 1.61 0.15 -0.46 -1.50 113.70 117.30 1n50 s SER 423 Ca 0.00 2.02 0.00 0.00 0.70 0.00 0.00 55.95 58.67 1n50 s SER 423 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1n50 s SER 423 CO 0.00 -1.04 0.00 -0.11 1.20 0.00 0.00 173.24 173.29 1n50 n LEU 424 N -1.28 0.74 -3.84 3.45 7.94 -1.26 -3.74 117.00 119.02 1n50 n LEU 424 Ca 0.10 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.88 1n50 n LEU 424 Cb 0.52 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.33 1n50 n LEU 424 CO 0.42 0.12 -0.32 -0.36 -1.11 0.00 0.00 177.39 176.15 1n50 s PHE 425 N -1.46 -0.04 0.06 1.96 0.08 -1.26 -4.12 117.98 113.20 1n50 s PHE 425 Ca 0.00 0.14 0.09 0.00 0.12 0.00 0.00 56.93 57.28 1n50 s PHE 425 Cb 0.00 -0.03 -0.03 0.00 -0.57 0.00 0.00 43.02 42.39 1n50 s PHE 425 CO 0.00 -0.04 -0.23 -1.50 -0.10 0.00 0.00 175.22 173.34 1n50 s ILE 426 N 0.27 2.41 -0.02 0.64 2.07 -1.26 -1.70 121.20 123.61 1n50 s ILE 426 Ca -0.02 -1.39 -0.14 0.00 -1.41 0.00 0.00 60.65 57.69 1n50 s ILE 426 Cb -0.03 -2.00 0.02 0.00 0.13 0.00 0.00 42.46 40.59 1n50 s ILE 426 CO -0.01 0.30 0.30 -0.75 -1.91 0.00 0.00 174.94 172.87 1n50 s LYS 427 N -1.49 0.64 0.22 3.50 2.47 0.18 -4.48 119.74 120.79 1n50 s LYS 427 Ca 0.13 -0.17 -0.07 0.00 -1.56 0.00 0.00 55.97 54.30 1n50 s LYS 427 Cb -0.10 0.29 0.03 0.00 -1.46 0.00 0.00 37.83 36.58 1n50 s LYS 427 CO 0.04 -0.17 0.42 -2.37 0.16 0.00 0.00 175.35 173.43 1n50 n THR 428 N 1.36 0.00 -3.56 3.43 5.66 -1.26 -0.68 114.28 119.24 1n50 n THR 428 Ca -0.21 -0.65 -0.17 0.00 -3.05 0.00 0.00 64.05 59.97 1n50 n THR 428 Cb 0.56 0.58 -0.06 0.00 -1.55 0.00 0.00 70.33 69.86 1n50 n THR 428 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1n50 s HIS 429 N -4.86 -0.59 0.42 1.09 2.46 -1.26 -4.72 115.29 107.82 1n50 s HIS 429 Ca 0.10 1.03 0.19 0.00 0.47 0.00 0.00 55.06 56.85 1n50 s HIS 429 Cb -0.02 0.36 1.11 0.00 -0.13 0.00 0.00 32.58 33.89 1n50 s HIS 429 CO 0.08 -0.57 1.82 -1.35 -2.47 0.00 0.00 174.74 172.25 1n50 h PRO 430 N 3.18 0.38 -0.00 2.88 0.11 -1.91 -1.16 132.00 135.47 1n50 h PRO 430 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1n50 h PRO 430 Cb 1.15 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1n50 h PRO 430 CO 0.38 0.25 -0.47 1.63 -0.21 0.00 0.00 178.00 179.58 1n50 n LYS 431 N -4.53 0.18 -3.71 1.05 4.76 -1.26 -4.91 118.16 109.72 1n50 n LYS 431 Ca 0.22 -0.10 -0.27 0.00 -2.87 0.00 0.00 58.31 55.28 1n50 n LYS 431 Cb 0.78 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.44 1n50 n LYS 431 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1n50 s SER 432 N -2.90 6.37 -0.12 4.39 0.15 -0.44 -5.00 113.70 116.16 1n50 s SER 432 Ca 0.14 0.36 0.17 0.00 0.70 0.00 0.00 55.95 57.32 1n50 s SER 432 Cb 0.18 -1.99 0.26 0.00 -1.71 0.00 0.00 66.02 62.76 1n50 s SER 432 CO 0.67 -0.05 1.14 -1.54 1.20 0.00 0.00 173.24 174.65 1n50 n SER 433 N -0.76 2.06 -4.43 5.45 3.41 -1.26 -4.63 113.62 113.46 1n50 n SER 433 Ca -0.05 -2.99 -0.25 0.00 -0.26 0.00 0.00 58.87 55.32 1n50 n SER 433 Cb 0.54 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 1n50 n SER 433 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1n50 s HIS 434 N -2.56 2.23 -0.16 7.33 3.76 -1.26 -0.80 115.29 123.82 1n50 s HIS 434 Ca 0.29 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.82 1n50 s HIS 434 Cb 0.25 -1.04 0.04 0.00 1.11 0.00 0.00 32.58 32.94 1n50 s HIS 434 CO 0.02 0.57 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.28 1n50 s LEU 435 N -3.03 1.47 -0.00 0.89 2.96 -0.56 -4.53 118.68 115.86 1n50 s LEU 435 Ca 0.24 -0.66 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1n50 s LEU 435 Cb -0.06 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 1n50 s LEU 435 CO 0.11 -0.21 0.19 -0.31 -1.32 0.00 0.00 176.35 174.81 1n50 s TYR 436 N 1.70 3.55 -0.13 5.38 1.51 0.15 -0.86 117.35 128.64 1n50 s TYR 436 Ca 0.00 0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 56.36 1n50 s TYR 436 Cb -0.15 -1.82 0.06 0.00 -0.11 0.00 0.00 41.96 39.94 1n50 s TYR 436 CO -0.07 0.64 0.28 0.14 -1.11 0.00 0.00 175.55 175.42 1n50 s VAL 437 N -1.35 -0.40 0.86 0.71 -7.23 -0.69 0.51 120.40 112.82 1n50 s VAL 437 Ca 0.28 0.26 -0.10 0.00 -1.81 0.00 0.00 61.98 60.61 1n50 s VAL 437 Cb -0.13 -0.46 0.16 0.00 0.56 0.00 0.00 36.38 36.52 1n50 s VAL 437 CO 0.20 0.11 1.19 1.51 -0.31 0.00 0.00 175.10 177.80 1n50 s ASP 438 N 2.33 3.68 -0.33 4.85 1.47 -0.69 -1.55 116.67 126.43 1n50 s ASP 438 Ca -0.00 0.09 0.16 0.00 1.18 0.00 0.00 52.55 53.97 1n50 s ASP 438 Cb -0.12 -0.30 0.44 0.00 -0.34 0.00 0.00 42.92 42.60 1n50 s ASP 438 CO -0.09 -2.34 1.31 1.07 0.68 0.00 0.00 175.17 175.80 1n50 n THR 439 N -3.39 0.47 -0.29 2.11 5.66 -1.26 -4.04 114.28 113.54 1n50 n THR 439 Ca 0.14 -1.89 0.23 0.00 -3.05 0.00 0.00 64.05 59.48 1n50 n THR 439 Cb 0.60 1.04 0.42 0.00 -1.55 0.00 0.00 70.33 70.84 1n50 n THR 439 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1n50 n THR 440 N -0.91 -0.37 -0.99 1.09 -1.04 -1.14 -1.33 114.28 109.59 1n50 n THR 440 Ca -0.05 1.87 0.05 0.00 -2.04 0.00 0.00 64.05 63.88 1n50 n THR 440 Cb 0.84 -2.91 0.33 0.00 -1.82 0.00 0.00 70.33 66.77 1n50 n THR 440 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1n50 n PHE 441 N -5.13 1.65 -2.24 -1.42 3.72 -0.56 -4.82 117.46 108.66 1n50 n PHE 441 Ca 0.29 -0.90 -0.42 0.00 -0.05 0.00 0.00 57.45 56.37 1n50 n PHE 441 Cb 0.97 -0.46 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 1n50 n PHE 441 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1n50 s ASN 442 N -1.36 6.91 0.19 4.37 3.84 -0.44 -4.68 114.94 123.75 1n50 s ASN 442 Ca 0.49 2.29 0.14 0.00 0.21 0.00 0.00 52.86 55.99 1n50 s ASN 442 Cb 0.39 -2.59 0.72 0.00 -0.55 0.00 0.00 41.25 39.22 1n50 s ASN 442 CO 0.12 -0.56 1.42 -0.81 -2.79 0.00 0.00 177.10 174.48 1n50 n PRO 443 N 3.46 0.09 -3.26 0.43 -0.04 -1.26 -4.52 135.00 129.90 1n50 n PRO 443 Ca 0.09 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.72 1n50 n PRO 443 Cb 0.43 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 1n50 n PRO 443 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n50 s ASP 444 N -3.63 6.73 0.09 3.54 2.15 -1.26 -4.98 116.67 119.30 1n50 s ASP 444 Ca -0.01 0.87 -0.24 0.00 0.43 0.00 0.00 52.55 53.60 1n50 s ASP 444 Cb 0.04 -2.31 -0.15 0.00 -0.30 0.00 0.00 42.92 40.21 1n50 s ASP 444 CO 0.15 -0.04 1.73 0.00 -0.17 0.00 0.00 175.17 176.84 1n50 h ALA 445 N 6.79 -0.10 -0.93 3.66 0.00 -1.97 -1.53 119.26 125.18 1n50 h ALA 445 Ca -0.40 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1n50 h ALA 445 Cb 1.18 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1n50 h ALA 445 CO 0.75 -0.56 0.61 -0.09 0.00 0.00 0.00 179.25 179.96 1n50 h ARG 446 N -0.11 1.23 -0.38 0.00 2.43 -1.95 -1.29 114.38 114.31 1n50 h ARG 446 Ca -0.01 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 1n50 h ARG 446 Cb 0.09 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1n50 h ARG 446 CO 0.01 0.82 -0.29 0.82 -1.51 0.00 0.00 179.97 179.82 1n50 h ILE 447 N 1.26 1.28 0.00 1.20 2.04 -1.88 -2.97 117.51 118.44 1n50 h ILE 447 Ca 0.34 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1n50 h ILE 447 Cb -0.13 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1n50 h ILE 447 CO -0.07 0.48 0.00 0.77 0.00 0.00 0.00 178.15 179.33 1n50 h SER 448 N 0.66 0.00 -0.71 1.72 4.64 -0.94 -2.67 113.55 116.26 1n50 h SER 448 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1n50 h SER 448 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1n50 h SER 448 CO 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 1n50 n GLN 449 N -2.52 2.94 -4.15 4.77 6.02 -0.52 -1.96 117.38 121.96 1n50 n GLN 449 Ca 0.02 -2.66 -0.10 0.00 -0.01 0.00 0.00 57.00 54.25 1n50 n GLN 449 Cb 0.28 -1.65 -0.10 0.00 1.02 0.00 0.00 30.24 29.80 1n50 n GLN 449 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1n50 s SER 450 N -0.97 0.25 0.14 1.08 1.04 -1.01 -1.76 113.70 112.47 1n50 s SER 450 Ca 0.49 -1.23 0.05 0.00 0.48 0.00 0.00 55.95 55.74 1n50 s SER 450 Cb 0.27 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1n50 s SER 450 CO 0.31 -0.77 -0.12 0.68 0.98 0.00 0.00 173.24 174.31 1n50 s VAL 451 N -4.07 1.28 0.08 5.02 -7.23 -0.99 -4.28 120.40 110.21 1n50 s VAL 451 Ca 0.28 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1n50 s VAL 451 Cb 0.07 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 1n50 s VAL 451 CO 0.04 -0.59 0.17 0.00 -0.31 0.00 0.00 175.10 174.41 1n50 s ALA 452 N -2.76 3.83 -0.04 1.32 0.00 -0.59 -1.70 121.76 121.81 1n50 s ALA 452 Ca 0.13 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1n50 s ALA 452 Cb -0.01 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.46 1n50 s ALA 452 CO 0.02 0.75 -0.08 0.08 0.00 0.00 0.00 175.76 176.54 1n50 s VAL 453 N -1.51 0.79 0.10 0.00 1.01 -0.07 -1.70 120.40 119.02 1n50 s VAL 453 Ca 0.33 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1n50 s VAL 453 Cb -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1n50 s VAL 453 CO 0.26 0.27 -0.08 -0.36 0.00 0.00 0.00 175.10 175.18 1n50 s PHE 454 N 0.63 2.79 -0.42 5.22 0.40 -0.04 -1.17 117.98 125.39 1n50 s PHE 454 Ca -0.10 -0.13 -0.21 0.00 -0.60 0.00 0.00 56.93 55.89 1n50 s PHE 454 Cb -0.13 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.96 1n50 s PHE 454 CO 0.01 0.43 0.64 0.34 0.70 0.00 0.00 175.22 177.34 1n50 s ASP 455 N -2.19 6.34 0.12 1.36 2.15 -1.26 -1.50 116.67 121.69 1n50 s ASP 455 Ca 0.22 -0.22 0.18 0.00 0.43 0.00 0.00 52.55 53.16 1n50 s ASP 455 Cb -0.11 -2.32 0.77 0.00 -0.30 0.00 0.00 42.92 40.96 1n50 s ASP 455 CO 0.14 -0.72 1.56 0.18 -0.17 0.00 0.00 175.17 176.16 1n50 n LEU 456 N 6.19 0.30 -0.66 -1.34 4.77 0.02 -1.60 117.00 124.68 1n50 n LEU 456 Ca -0.02 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 1n50 n LEU 456 Cb 0.48 -0.54 0.37 0.00 -2.33 0.00 0.00 43.42 41.40 1n50 n LEU 456 CO 0.52 -0.41 0.78 0.29 -1.33 0.00 0.00 177.39 177.24 1n50 n LYS 457 N -1.84 1.90 -2.73 3.23 5.02 -1.26 -4.50 118.16 117.98 1n50 n LYS 457 Ca 0.03 -1.32 -0.06 0.00 -2.02 0.00 0.00 58.31 54.93 1n50 n LYS 457 Cb 0.19 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 1n50 n LYS 457 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1n50 n ASN 458 N 0.58 -2.56 0.00 4.39 5.15 -0.63 -5.03 115.26 117.15 1n50 n ASN 458 Ca 0.17 -2.80 0.06 0.00 -0.60 0.00 0.00 54.58 51.41 1n50 n ASN 458 Cb 0.42 1.53 0.29 0.00 -0.53 0.00 0.00 39.78 41.49 1n50 n ASN 458 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1n50 n LEU 459 N 1.85 0.00 0.16 1.20 4.77 -1.10 -2.42 117.00 121.46 1n50 n LEU 459 Ca 0.09 0.48 0.06 0.00 -0.03 0.00 0.00 56.01 56.61 1n50 n LEU 459 Cb 0.64 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1n50 n LEU 459 CO -0.01 -0.26 0.51 0.44 -1.33 0.00 0.00 177.39 176.74 1n50 h ASP 460 N 0.00 0.00 -3.84 -1.43 3.32 -1.96 -3.45 116.42 109.06 1n50 h ASP 460 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1n50 h ASP 460 Cb 0.22 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.78 1n50 h ASP 460 CO 0.00 0.30 0.44 0.00 -1.72 0.00 0.00 179.24 178.26 1n50 s ALA 461 N -3.07 3.31 0.71 3.45 0.00 -1.01 -5.02 121.76 120.13 1n50 s ALA 461 Ca 0.04 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 1n50 s ALA 461 Cb 0.07 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1n50 s ALA 461 CO 0.73 -0.11 1.11 0.21 0.00 0.00 0.00 175.76 177.70 1n50 s LYS 462 N -1.68 2.50 0.76 0.00 2.20 -1.26 -4.79 119.74 117.46 1n50 s LYS 462 Ca 0.47 1.34 -0.11 0.00 -0.36 0.00 0.00 55.97 57.31 1n50 s LYS 462 Cb -0.28 -1.92 0.05 0.00 -1.51 0.00 0.00 37.83 34.17 1n50 s LYS 462 CO 0.36 -1.48 1.10 1.52 -0.36 0.00 0.00 175.35 176.49 1n50 s TYR 463 N -2.53 2.51 0.12 4.03 -0.85 -1.26 -4.88 117.35 114.50 1n50 s TYR 463 Ca 0.65 1.57 0.03 0.00 -0.52 0.00 0.00 57.07 58.81 1n50 s TYR 463 Cb -0.20 -3.10 -0.04 0.00 0.38 0.00 0.00 41.96 39.01 1n50 s TYR 463 CO 0.47 -1.86 0.15 -0.65 -1.52 0.00 0.00 175.55 172.15 1n50 s GLN 464 N -4.72 3.05 -0.23 -3.49 -0.21 -0.32 -4.85 119.66 108.88 1n50 s GLN 464 Ca 0.63 -0.72 -0.03 0.00 0.02 0.00 0.00 55.36 55.26 1n50 s GLN 464 Cb -0.18 -2.77 0.01 0.00 1.00 0.00 0.00 33.01 31.06 1n50 s GLN 464 CO 0.53 0.53 -0.05 0.08 -2.12 0.00 0.00 175.29 174.27 1n50 s VAL 465 N -1.61 3.19 -0.26 1.09 1.01 -1.26 -0.89 120.40 121.67 1n50 s VAL 465 Ca 0.31 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 1n50 s VAL 465 Cb -0.11 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1n50 s VAL 465 CO 0.24 0.33 0.39 -0.76 0.00 0.00 0.00 175.10 175.31 1n50 s LEU 466 N 1.42 4.05 -1.35 3.92 1.02 -0.69 -4.96 118.68 122.10 1n50 s LEU 466 Ca 0.04 0.34 -0.15 0.00 0.02 0.00 0.00 54.13 54.37 1n50 s LEU 466 Cb -0.15 -2.46 0.08 0.00 0.02 0.00 0.00 46.19 43.68 1n50 s LEU 466 CO -0.04 -0.18 1.90 -0.81 0.02 0.00 0.00 176.35 177.24 1n50 n PRO 467 N 5.26 3.13 0.26 1.29 -0.04 -1.26 -2.34 135.00 141.30 1n50 n PRO 467 Ca -0.08 -3.11 -0.16 0.00 -0.04 0.00 0.00 63.50 60.11 1n50 n PRO 467 Cb 0.51 -3.32 -0.08 0.00 -0.04 0.00 0.00 33.50 30.56 1n50 n PRO 467 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1n50 h ILE 468 N 4.73 0.55 -0.64 0.52 1.08 -1.93 -1.08 117.51 120.74 1n50 h ILE 468 Ca 0.48 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.90 1n50 h ILE 468 Cb 0.76 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 1n50 h ILE 468 CO 1.61 0.00 0.23 0.00 -0.69 0.00 0.00 178.15 179.30 1n50 h ALA 469 N -0.05 1.20 -0.61 1.87 0.00 -1.65 -2.06 119.26 117.97 1n50 h ALA 469 Ca -0.06 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1n50 h ALA 469 Cb 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1n50 h ALA 469 CO 0.10 0.57 0.05 1.49 0.00 0.00 0.00 179.25 181.46 1n50 h GLU 470 N 0.94 1.02 -0.17 0.00 4.81 -1.76 -2.50 114.58 116.92 1n50 h GLU 470 Ca 0.22 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1n50 h GLU 470 Cb 0.22 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1n50 h GLU 470 CO -0.02 0.97 -0.09 -1.49 -0.73 0.00 0.00 179.01 177.66 1n50 h TRP 471 N 0.95 0.28 -0.01 0.92 6.55 -0.66 -2.38 115.95 121.59 1n50 h TRP 471 Ca 0.18 -0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.94 1n50 h TRP 471 Cb 0.48 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 28.69 1n50 h TRP 471 CO 0.03 0.36 -0.26 0.00 -1.05 0.00 0.00 178.44 177.52 1n50 h ALA 472 N 1.66 1.54 -5.54 1.49 0.00 -0.92 -3.48 119.26 114.01 1n50 h ALA 472 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1n50 h ALA 472 Cb 0.33 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1n50 h ALA 472 CO 0.02 0.34 -0.21 -3.47 0.00 0.00 0.00 179.25 175.93 1n50 n ASP 473 N -4.22 -7.35 -0.00 0.00 2.03 -0.90 -4.97 116.55 101.14 1n50 n ASP 473 Ca -0.02 -0.24 0.04 0.00 0.52 0.00 0.00 54.79 55.09 1n50 n ASP 473 Cb 0.32 -4.89 -0.06 0.00 -0.72 0.00 0.00 41.12 35.77 1n50 n ASP 473 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1n50 n LEU 474 N -2.04 0.19 0.00 -2.67 4.77 -1.26 -5.11 117.00 110.88 1n50 n LEU 474 Ca -0.04 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1n50 n LEU 474 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1n50 n LEU 474 CO 0.55 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1n50 n GLY 475 N 1.61 0.61 3.74 -0.72 0.00 -1.26 -4.73 105.19 104.44 1n50 n GLY 475 Ca -0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1n50 n GLY 475 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n50 s GLU 476 N 0.00 1.81 0.00 1.61 -1.05 -1.26 -4.99 118.70 114.83 1n50 s GLU 476 Ca 0.00 1.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.92 1n50 s GLU 476 Cb 0.00 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.84 1n50 s GLU 476 CO 0.00 -1.94 0.00 0.41 0.95 0.00 0.00 175.26 174.68 1n50 n GLY 477 N -1.02 3.13 0.34 -3.83 0.00 -1.26 -4.70 105.19 97.85 1n50 n GLY 477 Ca 0.09 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.20 1n50 n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n50 h ALA 478 N 0.00 1.76 -6.49 4.61 0.00 -1.94 -3.46 119.26 113.74 1n50 h ALA 478 Ca 0.00 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.39 1n50 h ALA 478 Cb 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 1n50 h ALA 478 CO 0.00 0.14 -0.85 1.63 0.00 0.00 0.00 179.25 180.18 1n50 n LYS 479 N -4.47 -3.76 -2.11 0.00 5.02 -1.26 -4.86 118.16 106.72 1n50 n LYS 479 Ca 0.09 0.45 -0.42 0.00 -2.02 0.00 0.00 58.31 56.40 1n50 n LYS 479 Cb 0.22 -4.88 -0.03 0.00 -0.02 0.00 0.00 35.03 30.32 1n50 n LYS 479 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1n50 s ARG 480 N -6.60 4.23 0.05 1.97 0.52 -1.22 -4.54 118.95 113.34 1n50 s ARG 480 Ca 0.29 2.09 -0.18 0.00 -0.52 0.00 0.00 55.73 57.40 1n50 s ARG 480 Cb -0.15 -3.74 -0.06 0.00 0.52 0.00 0.00 34.95 31.51 1n50 s ARG 480 CO 0.88 -0.71 0.54 0.08 0.02 0.00 0.00 175.30 176.10 1n50 s VAL 481 N 3.13 4.82 -0.03 3.52 1.01 -0.83 -0.50 120.40 131.52 1n50 s VAL 481 Ca 0.68 1.14 -0.13 0.00 0.00 0.00 0.00 61.98 63.67 1n50 s VAL 481 Cb -0.33 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1n50 s VAL 481 CO 0.28 0.54 0.28 0.54 0.00 0.00 0.00 175.10 176.74 1n50 s VAL 482 N -0.99 0.05 -0.04 2.92 0.11 -0.73 -3.85 120.40 117.86 1n50 s VAL 482 Ca 0.28 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 58.85 1n50 s VAL 482 Cb -0.19 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.12 1n50 s VAL 482 CO 0.18 -0.25 0.06 1.67 -3.33 0.00 0.00 175.10 173.43 1n50 n GLN 483 N 1.55 -2.06 -1.90 1.54 7.27 -1.26 -2.42 117.38 120.10 1n50 n GLN 483 Ca -0.21 1.76 -0.39 0.00 0.07 0.00 0.00 57.00 58.24 1n50 n GLN 483 Cb 0.56 -1.82 0.02 0.00 2.41 0.00 0.00 30.24 31.41 1n50 n GLN 483 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1n50 s PRO 484 N -0.18 3.48 -0.17 3.69 0.02 -1.26 -4.44 135.00 136.15 1n50 s PRO 484 Ca -0.07 2.20 -0.10 0.00 0.02 0.00 0.00 61.00 63.05 1n50 s PRO 484 Cb 0.00 -2.44 0.06 0.00 0.02 0.00 0.00 34.50 32.14 1n50 s PRO 484 CO 0.19 -0.91 0.41 -2.00 -0.33 0.00 0.00 177.00 174.36 1n50 s GLU 485 N -2.67 0.40 0.42 5.54 2.56 -0.32 -4.90 118.70 119.72 1n50 s GLU 485 Ca 0.66 0.76 -0.02 0.00 0.00 0.00 0.00 54.97 56.37 1n50 s GLU 485 Cb -0.39 0.01 -0.03 0.00 2.00 0.00 0.00 34.13 35.72 1n50 s GLU 485 CO 0.48 -0.15 0.67 0.71 -0.56 0.00 0.00 175.26 176.42 1n50 s TYR 486 N 1.26 3.50 0.68 5.30 1.51 -1.26 0.57 117.35 128.90 1n50 s TYR 486 Ca -0.08 0.55 -0.02 0.00 -1.01 0.00 0.00 57.07 56.51 1n50 s TYR 486 Cb -0.08 -2.13 0.09 0.00 -0.11 0.00 0.00 41.96 39.73 1n50 s TYR 486 CO -0.11 -0.12 0.95 0.54 -1.11 0.00 0.00 175.55 175.69 1n50 s ASN 487 N -4.09 4.62 0.34 2.29 4.22 -1.04 -4.69 114.94 116.59 1n50 s ASN 487 Ca 0.44 -0.13 0.03 0.00 -2.14 0.00 0.00 52.86 51.06 1n50 s ASN 487 Cb -0.10 -0.41 0.64 0.00 1.28 0.00 0.00 41.25 42.66 1n50 s ASN 487 CO 0.40 -1.66 1.96 0.50 -2.04 0.00 0.00 177.10 176.27 1n50 h LYS 488 N -0.41 0.85 0.00 3.55 3.64 -1.91 -1.53 116.57 120.76 1n50 h LYS 488 Ca -0.39 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.84 1n50 h LYS 488 Cb 1.28 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1n50 h LYS 488 CO 0.46 0.56 -0.47 -0.09 -2.27 0.00 0.00 179.45 177.64 1n50 h ARG 489 N 0.87 0.00 0.00 1.90 2.43 -1.96 -3.47 114.38 114.15 1n50 h ARG 489 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1n50 h ARG 489 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1n50 h ARG 489 CO -0.09 0.47 0.00 0.41 -1.51 0.00 0.00 179.97 179.25 1n50 n GLY 490 N -0.09 0.59 0.00 2.80 0.00 -0.58 -4.87 105.19 103.04 1n50 n GLY 490 Ca -0.01 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.90 1n50 n GLY 490 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n50 n ASP 491 N 0.38 0.73 -4.46 1.61 5.68 -1.26 -4.46 116.55 114.77 1n50 n ASP 491 Ca 0.00 -0.70 -0.31 0.00 -0.50 0.00 0.00 54.79 53.28 1n50 n ASP 491 Cb 0.00 1.28 -0.13 0.00 -1.14 0.00 0.00 41.12 41.13 1n50 n ASP 491 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1n50 s GLU 492 N -3.09 2.18 -0.09 0.11 2.02 -1.26 -0.33 118.70 118.25 1n50 s GLU 492 Ca 0.03 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.13 1n50 s GLU 492 Cb 0.15 -2.23 0.02 0.00 0.10 0.00 0.00 34.13 32.16 1n50 s GLU 492 CO 0.85 0.56 -0.13 0.08 0.02 0.00 0.00 175.26 176.64 1n50 s VAL 493 N -0.87 1.26 0.07 2.63 1.01 -0.65 -2.50 120.40 121.36 1n50 s VAL 493 Ca 0.14 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1n50 s VAL 493 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1n50 s VAL 493 CO 0.04 0.39 0.14 0.26 0.00 0.00 0.00 175.10 175.93 1n50 s TRP 494 N 0.96 3.33 0.05 5.22 0.52 0.19 -0.65 118.94 128.56 1n50 s TRP 494 Ca -0.08 0.15 0.00 0.00 0.02 0.00 0.00 56.10 56.18 1n50 s TRP 494 Cb -0.15 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1n50 s TRP 494 CO -0.00 0.55 -0.04 -0.06 0.02 0.00 0.00 176.95 177.42 1n50 s PHE 495 N -1.45 0.52 -0.11 -1.98 0.40 -0.11 -1.18 117.98 114.07 1n50 s PHE 495 Ca 0.32 -0.84 -0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1n50 s PHE 495 Cb -0.12 -0.36 -0.03 0.00 0.51 0.00 0.00 43.02 43.02 1n50 s PHE 495 CO 0.25 -0.26 -0.08 -1.12 0.70 0.00 0.00 175.22 174.70 1n50 s SER 496 N -2.40 4.48 -0.73 1.36 0.01 -1.02 -1.82 113.70 113.59 1n50 s SER 496 Ca -0.00 -0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.01 1n50 s SER 496 Cb 0.01 -1.42 0.19 0.00 0.21 0.00 0.00 66.02 65.01 1n50 s SER 496 CO -0.06 0.26 0.63 -0.69 0.41 0.00 0.00 173.24 173.79 1n50 s VAL 497 N -0.19 4.96 -1.26 3.43 1.01 0.76 -1.78 120.40 127.33 1n50 s VAL 497 Ca 0.02 -2.49 -0.19 0.00 0.00 0.00 0.00 61.98 59.32 1n50 s VAL 497 Cb -0.13 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.19 1n50 s VAL 497 CO 0.03 -0.96 1.72 0.86 0.00 0.00 0.00 175.10 176.75 1n50 s TRP 498 N 0.29 2.70 0.74 5.22 -0.00 0.34 -2.92 118.94 125.32 1n50 s TRP 498 Ca 0.16 -1.42 -0.03 0.00 -0.00 0.00 0.00 56.10 54.81 1n50 s TRP 498 Cb -0.16 -4.71 0.15 0.00 -0.00 0.00 0.00 33.47 28.76 1n50 s TRP 498 CO -0.06 -1.79 1.02 -1.71 -0.00 0.00 0.00 176.95 174.41 1n50 n ASN 499 N 8.83 1.04 -4.25 5.86 2.85 -1.26 -3.43 115.26 124.90 1n50 n ASN 499 Ca 0.47 -1.96 -0.29 0.00 -0.11 0.00 0.00 54.58 52.69 1n50 n ASN 499 Cb 0.47 -0.69 0.22 0.00 1.24 0.00 0.00 39.78 41.02 1n50 n ASN 499 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1n50 s GLY 500 N -5.14 1.55 0.38 8.20 0.00 -1.26 -4.43 107.32 106.62 1n50 s GLY 500 Ca 0.65 -0.60 0.20 0.00 0.00 0.00 0.00 44.72 44.97 1n50 s GLY 500 CO 0.44 0.16 1.63 0.07 0.00 0.00 0.00 173.10 175.40 1n50 h LYS 501 N -2.38 0.00 -0.32 2.90 2.10 -1.98 -2.98 116.57 113.92 1n50 h LYS 501 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1n50 h LYS 501 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1n50 h LYS 501 CO 0.46 0.29 0.00 0.09 -2.00 0.00 0.00 179.45 178.29 1n50 n ASN 502 N -3.26 3.21 -4.67 7.07 5.03 -1.26 -4.92 115.26 116.46 1n50 n ASN 502 Ca 0.02 -1.96 -0.24 0.00 0.87 0.00 0.00 54.58 53.26 1n50 n ASN 502 Cb 0.57 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 1n50 n ASN 502 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1n50 n ASP 503 N 1.35 2.63 -4.70 6.41 8.00 -1.13 -5.12 116.55 123.99 1n50 n ASP 503 Ca 0.18 -2.77 -0.36 0.00 0.71 0.00 0.00 54.79 52.56 1n50 n ASP 503 Cb 0.58 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.54 1n50 n ASP 503 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1n50 s SER 504 N -4.06 6.18 0.46 -2.24 0.01 -1.26 -4.75 113.70 108.04 1n50 s SER 504 Ca 0.31 0.19 0.05 0.00 1.31 0.00 0.00 55.95 57.81 1n50 s SER 504 Cb -0.02 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.07 1n50 s SER 504 CO 0.19 0.12 0.12 -0.44 0.41 0.00 0.00 173.24 173.64 1n50 s SER 505 N 0.69 4.23 0.23 2.44 0.01 -1.26 -4.69 113.70 115.34 1n50 s SER 505 Ca 0.08 -1.35 -0.22 0.00 1.31 0.00 0.00 55.95 55.77 1n50 s SER 505 Cb -0.12 -0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.14 1n50 s SER 505 CO 0.01 -0.70 0.86 0.00 0.41 0.00 0.00 173.24 173.83 1n50 s ALA 506 N -2.74 -1.39 -0.20 1.44 0.00 -1.15 -4.69 121.76 113.03 1n50 s ALA 506 Ca 0.28 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1n50 s ALA 506 Cb 0.04 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.92 1n50 s ALA 506 CO 0.15 -1.04 -0.14 -0.51 0.00 0.00 0.00 175.76 174.22 1n50 s LEU 507 N -2.99 2.45 -0.18 0.00 1.43 -0.70 -0.17 118.68 118.53 1n50 s LEU 507 Ca 0.13 -0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 1n50 s LEU 507 Cb -0.04 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1n50 s LEU 507 CO 0.05 -0.09 0.32 -0.69 0.23 0.00 0.00 176.35 176.17 1n50 s VAL 508 N 1.29 5.28 -0.05 -1.59 1.01 -0.75 -1.06 120.40 124.53 1n50 s VAL 508 Ca -0.00 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1n50 s VAL 508 Cb -0.16 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1n50 s VAL 508 CO -0.09 0.35 -0.03 -0.69 0.00 0.00 0.00 175.10 174.63 1n50 s VAL 509 N 0.75 3.97 0.06 2.92 1.01 -0.45 -0.94 120.40 127.72 1n50 s VAL 509 Ca 0.17 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1n50 s VAL 509 Cb -0.14 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1n50 s VAL 509 CO 0.05 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.79 1n50 s VAL 510 N -0.92 1.58 -0.48 2.92 1.01 0.17 -1.42 120.40 123.27 1n50 s VAL 510 Ca 0.15 -1.25 -0.28 0.00 0.00 0.00 0.00 61.98 60.59 1n50 s VAL 510 Cb -0.11 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1n50 s VAL 510 CO 0.04 0.10 1.11 -0.62 0.00 0.00 0.00 175.10 175.74 1n50 s ASP 511 N -1.36 6.61 0.28 3.32 -1.08 -0.51 -1.64 116.67 122.29 1n50 s ASP 511 Ca 0.06 0.40 -0.02 0.00 -0.52 0.00 0.00 52.55 52.47 1n50 s ASP 511 Cb -0.09 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.23 1n50 s ASP 511 CO 0.02 -1.24 1.83 -0.78 0.52 0.00 0.00 175.17 175.53 1n50 h ASP 512 N 9.23 0.80 -0.40 -0.34 3.58 -1.01 1.05 116.42 129.34 1n50 h ASP 512 Ca -0.23 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.02 1n50 h ASP 512 Cb 1.06 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 1n50 h ASP 512 CO 1.12 0.76 0.03 0.50 -2.88 0.00 0.00 179.24 178.77 1n50 h LYS 513 N 0.84 0.77 -0.00 0.28 3.64 -1.91 -3.32 116.57 116.87 1n50 h LYS 513 Ca 0.19 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n50 h LYS 513 Cb 0.26 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1n50 h LYS 513 CO -0.01 0.76 -0.20 0.25 -2.27 0.00 0.00 179.45 177.98 1n50 n THR 514 N -4.24 0.00 -2.01 1.00 -2.24 -1.03 -5.00 114.28 100.76 1n50 n THR 514 Ca 0.03 -0.40 -0.18 0.00 -2.27 0.00 0.00 64.05 61.23 1n50 n THR 514 Cb 0.28 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.49 1n50 n THR 514 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n50 n LEU 515 N -0.89 -1.61 -4.76 3.22 4.77 0.36 -5.00 117.00 113.09 1n50 n LEU 515 Ca 0.01 0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.84 1n50 n LEU 515 Cb 0.09 -2.57 -0.07 0.00 -2.33 0.00 0.00 43.42 38.54 1n50 n LEU 515 CO 0.09 -0.49 -0.27 -0.54 -1.33 0.00 0.00 177.39 174.86 1n50 s LYS 516 N -4.34 2.95 0.31 3.23 3.01 -1.21 -4.88 119.74 118.81 1n50 s LYS 516 Ca 0.00 -0.58 -0.29 0.00 -1.01 0.00 0.00 55.97 54.09 1n50 s LYS 516 Cb 0.00 -2.78 -0.13 0.00 -1.01 0.00 0.00 37.83 33.91 1n50 s LYS 516 CO 0.00 0.61 1.32 -0.11 0.51 0.00 0.00 175.35 177.68 1n50 n LEU 517 N 0.95 3.35 0.00 3.17 7.94 -1.26 -1.42 117.00 129.74 1n50 n LEU 517 Ca -0.12 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1n50 n LEU 517 Cb 0.52 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.01 1n50 n LEU 517 CO 0.40 -0.52 -0.49 1.17 -1.11 0.00 0.00 177.39 176.84 1n50 n LYS 518 N 1.02 1.92 -3.50 1.96 4.81 -0.51 -4.76 118.16 119.10 1n50 n LYS 518 Ca 0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 1n50 n LYS 518 Cb 0.35 -0.99 -0.04 0.00 0.02 0.00 0.00 35.03 34.37 1n50 n LYS 518 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n50 s ALA 519 N -1.98 -1.77 -0.11 3.14 0.00 -1.16 -5.00 121.76 114.88 1n50 s ALA 519 Ca 0.00 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.01 1n50 s ALA 519 Cb 0.00 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.37 1n50 s ALA 519 CO 0.00 -0.55 0.01 0.08 0.00 0.00 0.00 175.76 175.30 1n50 s VAL 520 N -2.40 0.39 -0.36 0.00 1.01 -1.26 -1.34 120.40 116.43 1n50 s VAL 520 Ca -0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1n50 s VAL 520 Cb -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 1n50 s VAL 520 CO -0.03 0.12 0.44 -0.69 0.00 0.00 0.00 175.10 174.94 1n50 s VAL 521 N 1.95 5.08 0.15 2.92 1.01 -0.22 -4.94 120.40 126.35 1n50 s VAL 521 Ca 0.03 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.17 1n50 s VAL 521 Cb -0.14 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1n50 s VAL 521 CO -0.06 -0.23 -0.19 -0.54 0.00 0.00 0.00 175.10 174.08 1n50 s LYS 522 N 2.21 1.23 -0.30 2.72 1.02 -1.26 -1.72 119.74 123.64 1n50 s LYS 522 Ca 0.15 -1.33 -0.24 0.00 0.02 0.00 0.00 55.97 54.57 1n50 s LYS 522 Cb -0.16 -1.34 0.19 0.00 -0.52 0.00 0.00 37.83 36.00 1n50 s LYS 522 CO 0.13 0.28 1.41 0.34 -0.92 0.00 0.00 175.35 176.59 1n50 s ASP 523 N -2.44 -0.06 0.65 2.83 -1.08 -1.26 -4.99 116.67 110.31 1n50 s ASP 523 Ca 0.13 0.12 0.42 0.00 -0.52 0.00 0.00 52.55 52.70 1n50 s ASP 523 Cb -0.07 0.26 2.32 0.00 -1.46 0.00 0.00 42.92 43.97 1n50 s ASP 523 CO 0.06 -0.02 2.35 1.55 0.52 0.00 0.00 175.17 179.63 1n50 h PRO 524 N 3.47 0.00 0.00 4.34 0.13 -2.01 -0.61 132.00 137.33 1n50 h PRO 524 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 1n50 h PRO 524 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1n50 h PRO 524 CO 0.19 0.00 -0.69 0.00 -0.23 0.00 0.00 178.00 177.27 1n50 h ARG 525 N 0.00 0.00 -5.00 0.86 3.08 -2.01 -3.41 114.38 107.91 1n50 h ARG 525 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1n50 h ARG 525 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1n50 h ARG 525 CO 0.00 0.52 1.80 -0.11 -1.07 0.00 0.00 179.97 181.12 1n50 n LEU 526 N -3.19 3.86 -4.68 3.04 7.94 -0.24 -4.92 117.00 118.82 1n50 n LEU 526 Ca 0.00 -3.16 -0.37 0.00 -1.11 0.00 0.00 56.01 51.37 1n50 n LEU 526 Cb 0.77 -1.46 -0.09 0.00 0.53 0.00 0.00 43.42 43.17 1n50 n LEU 526 CO 0.42 -0.88 -0.09 -0.63 -1.11 0.00 0.00 177.39 175.10 1n50 s ILE 527 N 7.47 5.32 -1.13 1.96 1.01 -1.26 -4.41 121.20 130.16 1n50 s ILE 527 Ca 0.61 0.36 -0.25 0.00 0.00 0.00 0.00 60.65 61.37 1n50 s ILE 527 Cb 0.07 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.99 1n50 s ILE 527 CO 0.11 0.33 0.72 0.35 0.00 0.00 0.00 174.94 176.46 1n50 n THR 528 N 4.16 -4.23 -2.21 2.92 -2.24 -1.26 -3.64 114.28 107.77 1n50 n THR 528 Ca -0.13 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.56 1n50 n THR 528 Cb 0.52 -3.30 -0.02 0.00 -2.10 0.00 0.00 70.33 65.42 1n50 n THR 528 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1n50 s PRO 529 N -6.47 4.12 0.00 -0.78 0.04 -1.25 -1.90 135.00 128.75 1n50 s PRO 529 Ca 0.42 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1n50 s PRO 529 Cb -0.20 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1n50 s PRO 529 CO 0.92 -0.89 0.00 0.25 0.04 0.00 0.00 177.00 177.32 1n50 n THR 530 N 5.64 0.00 -1.91 1.26 -2.24 -0.43 -4.05 114.28 112.56 1n50 n THR 530 Ca 0.16 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.56 1n50 n THR 530 Cb 0.44 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.69 1n50 n THR 530 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1n50 s GLY 531 N 0.00 2.88 -0.06 3.38 0.00 -1.26 -4.73 107.32 107.53 1n50 s GLY 531 Ca 0.00 1.27 0.01 0.00 0.00 0.00 0.00 44.72 46.00 1n50 s GLY 531 CO 0.00 1.80 -0.06 0.54 0.00 0.00 0.00 173.10 175.37 1n50 s LYS 532 N -2.72 1.09 -0.18 2.90 1.02 -1.26 -1.52 119.74 119.08 1n50 s LYS 532 Ca 0.67 -0.19 -0.00 0.00 0.02 0.00 0.00 55.97 56.47 1n50 s LYS 532 Cb -0.38 -1.04 0.04 0.00 -0.52 0.00 0.00 37.83 35.92 1n50 s LYS 532 CO 0.47 -0.08 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.70 1n50 s PHE 533 N 0.95 1.88 0.10 3.18 0.08 -0.61 -4.90 117.98 118.66 1n50 s PHE 533 Ca -0.10 -1.22 -0.31 0.00 0.12 0.00 0.00 56.93 55.42 1n50 s PHE 533 Cb -0.14 -1.39 -0.07 0.00 -0.57 0.00 0.00 43.02 40.84 1n50 s PHE 533 CO 0.00 -0.65 1.30 1.21 -0.10 0.00 0.00 175.22 176.98 1n50 s ASN 534 N 1.57 6.95 0.11 1.36 3.84 -1.26 -0.98 114.94 126.53 1n50 s ASN 534 Ca 0.00 2.20 -0.33 0.00 0.21 0.00 0.00 52.86 54.94 1n50 s ASN 534 Cb -0.16 -2.59 -0.13 0.00 -0.55 0.00 0.00 41.25 37.83 1n50 s ASN 534 CO -0.08 -0.55 1.53 0.58 -2.79 0.00 0.00 177.10 175.79 1n50 h VAL 535 N 4.30 0.00 0.19 -5.21 2.07 -1.07 -0.67 116.25 115.86 1n50 h VAL 535 Ca -0.42 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1n50 h VAL 535 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1n50 h VAL 535 CO 0.83 0.00 -0.09 0.22 0.02 0.00 0.00 177.57 178.55 1n50 h TYR 536 N -0.58 -0.23 -0.33 1.57 3.20 -1.57 -1.07 116.97 117.96 1n50 h TYR 536 Ca 0.03 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.97 1n50 h TYR 536 Cb 0.67 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1n50 h TYR 536 CO -0.58 -0.02 0.23 -0.91 -1.64 0.00 0.00 178.16 175.25 1n50 h ASN 537 N -0.41 0.08 0.12 -2.11 2.35 -1.80 -0.66 115.58 113.15 1n50 h ASN 537 Ca -0.03 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 1n50 h ASN 537 Cb 0.32 -0.02 0.02 0.00 0.05 0.00 0.00 38.32 38.69 1n50 h ASN 537 CO 0.04 0.05 -0.75 0.74 -1.65 0.00 0.00 177.43 175.86 1n50 h THR 538 N 0.09 1.53 -0.73 2.81 2.02 -0.96 -0.59 112.91 117.08 1n50 h THR 538 Ca 0.15 -2.50 0.01 0.00 0.77 0.00 0.00 66.41 64.84 1n50 h THR 538 Cb 0.51 3.18 -0.04 0.00 -1.74 0.00 0.00 68.15 70.06 1n50 h THR 538 CO -0.01 0.70 0.48 -0.61 0.37 0.00 0.00 175.52 176.45 1n50 h GLN 539 N -0.40 0.96 -0.54 6.66 4.15 -0.67 -2.99 115.11 122.29 1n50 h GLN 539 Ca -0.13 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.23 1n50 h GLN 539 Cb 1.58 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.05 1n50 h GLN 539 CO 0.14 0.64 0.00 0.72 -1.93 0.00 0.00 178.83 178.40 1n50 n HIS 540 N -4.57 1.86 -4.22 3.99 8.25 -0.30 -4.96 115.22 115.26 1n50 n HIS 540 Ca 0.07 -0.74 -0.39 0.00 -0.26 0.00 0.00 57.72 56.40 1n50 n HIS 540 Cb 0.02 -0.46 -0.05 0.00 1.12 0.00 0.00 29.99 30.63 1n50 n HIS 540 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1n50 n ASP 541 N 0.52 -1.33 -4.43 0.41 9.92 -1.05 -4.87 116.55 115.71 1n50 n ASP 541 Ca 0.27 -1.30 -0.44 0.00 -0.53 0.00 0.00 54.79 52.79 1n50 n ASP 541 Cb 1.12 -1.60 -0.04 0.00 -0.64 0.00 0.00 41.12 39.96 1n50 n ASP 541 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1n50 s VAL 542 N -4.00 4.57 0.00 2.53 1.01 -0.25 -5.00 120.40 119.25 1n50 s VAL 542 Ca 0.23 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1n50 s VAL 542 Cb -0.13 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.69 1n50 s VAL 542 CO 0.99 -1.24 0.00 0.00 0.00 0.00 0.00 175.10 174.85