#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h s ARG 12 N 0.00 0.51 -0.09 1.97 3.52 -1.26 -5.16 118.95 118.44 3i8h s ARG 12 Ca 0.00 -0.11 -0.05 0.00 -0.13 0.00 0.00 55.73 55.43 3i8h s ARG 12 Cb 0.00 0.24 0.04 0.00 -1.56 0.00 0.00 34.95 33.66 3i8h s ARG 12 CO 0.00 -0.21 0.22 -0.65 -0.81 0.00 0.00 175.30 173.85 3i8h s GLN 13 N -2.28 0.20 -0.01 5.12 1.11 -1.26 -4.99 119.66 117.54 3i8h s GLN 13 Ca 0.06 0.42 -0.08 0.00 0.01 0.00 0.00 55.36 55.77 3i8h s GLN 13 Cb -0.01 -0.05 0.01 0.00 -1.01 0.00 0.00 33.01 31.95 3i8h s GLN 13 CO -0.05 -0.12 0.16 0.14 0.01 0.00 0.00 175.29 175.44 3i8h s VAL 14 N 0.86 0.06 -0.08 1.09 -7.23 -1.24 -5.04 120.40 108.83 3i8h s VAL 14 Ca -0.06 -0.53 -0.25 0.00 -1.81 0.00 0.00 61.98 59.33 3i8h s VAL 14 Cb -0.08 -0.42 -0.28 0.00 0.56 0.00 0.00 36.38 36.16 3i8h s VAL 14 CO -0.05 -0.29 0.87 0.00 -0.31 0.00 0.00 175.10 175.32 3i8h h ALA 15 N 4.54 -0.04 -2.67 1.32 0.00 -1.91 -3.36 119.26 117.14 3i8h h ALA 15 Ca -0.30 -0.59 -0.53 0.00 0.00 0.00 0.00 54.91 53.49 3i8h h ALA 15 Cb 1.19 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3i8h h ALA 15 CO 0.40 0.20 0.14 0.45 0.00 0.00 0.00 179.25 180.44 3i8h s SER 16 N -6.61 7.27 0.00 0.00 0.15 -1.26 -2.44 113.70 110.80 3i8h s SER 16 Ca -0.16 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.04 3i8h s SER 16 Cb -0.00 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3i8h s SER 16 CO 0.77 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.99 3i8h n GLY 17 N 1.39 4.20 3.41 9.45 0.00 -0.95 -4.31 105.19 118.39 3i8h n GLY 17 Ca -0.05 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 3i8h n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i8h s ARG 18 N 1.48 0.73 -0.05 1.61 3.52 -0.15 -3.43 118.95 122.67 3i8h s ARG 18 Ca 0.00 0.42 0.03 0.00 -0.13 0.00 0.00 55.73 56.05 3i8h s ARG 18 Cb 0.00 0.35 0.01 0.00 -1.56 0.00 0.00 34.95 33.74 3i8h s ARG 18 CO 0.00 -0.16 -0.12 0.00 -0.81 0.00 0.00 175.30 174.21 3i8h s ALA 19 N -0.41 1.19 -0.09 6.12 0.00 -1.26 -0.99 121.76 126.31 3i8h s ALA 19 Ca -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3i8h s ALA 19 Cb -0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3i8h s ALA 19 CO 0.04 0.16 -0.09 0.71 0.00 0.00 0.00 175.76 176.58 3i8h s TYR 20 N 0.37 2.89 -0.19 0.00 1.51 0.29 -0.05 117.35 122.17 3i8h s TYR 20 Ca -0.08 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 3i8h s TYR 20 Cb -0.13 -1.77 0.03 0.00 -0.11 0.00 0.00 41.96 39.99 3i8h s TYR 20 CO 0.02 0.14 -0.16 0.42 -1.11 0.00 0.00 175.55 174.86 3i8h s ILE 21 N -0.36 1.97 -0.53 2.71 1.09 0.21 -0.48 121.20 125.81 3i8h s ILE 21 Ca 0.05 -1.03 -0.16 0.00 -1.10 0.00 0.00 60.65 58.41 3i8h s ILE 21 Cb -0.12 -1.87 0.12 0.00 -1.06 0.00 0.00 42.46 39.53 3i8h s ILE 21 CO 0.02 0.38 0.48 -2.28 -0.10 0.00 0.00 174.94 173.45 3i8h s HIS 22 N 1.29 3.25 -0.36 3.97 2.46 -0.38 -0.30 115.29 125.23 3i8h s HIS 22 Ca 0.02 -1.26 -0.13 0.00 0.47 0.00 0.00 55.06 54.15 3i8h s HIS 22 Cb -0.15 -3.71 -0.01 0.00 -0.13 0.00 0.00 32.58 28.59 3i8h s HIS 22 CO -0.11 -0.99 0.26 0.00 -2.47 0.00 0.00 174.74 171.43 3i8h s ALA 23 N 1.60 3.50 0.20 1.58 0.00 -0.50 -1.73 121.76 126.41 3i8h s ALA 23 Ca 0.03 -1.46 0.10 0.00 0.00 0.00 0.00 51.96 50.63 3i8h s ALA 23 Cb -0.29 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3i8h s ALA 23 CO 0.03 -1.09 -0.20 0.45 0.00 0.00 0.00 175.76 174.95 3i8h s SER 24 N 1.71 3.04 0.60 0.00 0.15 -0.25 -2.91 113.70 116.04 3i8h s SER 24 Ca 0.06 -0.91 0.33 0.00 0.70 0.00 0.00 55.95 56.12 3i8h s SER 24 Cb -0.18 -0.21 1.91 0.00 -1.71 0.00 0.00 66.02 65.84 3i8h s SER 24 CO 0.10 0.01 2.26 1.88 1.20 0.00 0.00 173.24 178.69 3i8h h TYR 25 N 2.97 0.00 0.02 3.44 0.99 -1.94 -2.82 116.97 119.62 3i8h h TYR 25 Ca -0.42 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 59.99 3i8h h TYR 25 Cb 1.22 0.00 -0.05 0.00 1.00 0.00 0.00 36.73 38.90 3i8h h TYR 25 CO 0.71 0.02 -1.90 -1.71 -0.00 0.00 0.00 178.16 175.28 3i8h n ASN 26 N -3.63 0.94 -3.62 3.88 2.85 -1.26 -4.76 115.26 109.65 3i8h n ASN 26 Ca -0.03 0.29 -0.03 0.00 -0.11 0.00 0.00 54.58 54.70 3i8h n ASN 26 Cb 0.10 -0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.10 3i8h n ASN 26 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3i8h s ASN 27 N -6.14 -0.18 -0.11 1.20 2.47 -1.06 -2.87 114.94 108.25 3i8h s ASN 27 Ca -0.09 -0.15 0.01 0.00 0.42 0.00 0.00 52.86 53.06 3i8h s ASN 27 Cb 0.07 0.30 0.02 0.00 -1.45 0.00 0.00 41.25 40.19 3i8h s ASN 27 CO 0.81 -0.52 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.64 3i8h s THR 28 N -2.81 1.41 -0.10 -5.21 2.01 -1.22 -1.09 115.64 108.63 3i8h s THR 28 Ca 0.10 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 3i8h s THR 28 Cb 0.01 -1.31 0.03 0.00 0.01 0.00 0.00 72.50 71.23 3i8h s THR 28 CO -0.04 0.43 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.77 3i8h s ILE 29 N 1.11 0.73 -0.22 1.82 2.07 -0.70 -0.82 121.20 125.19 3i8h s ILE 29 Ca -0.04 -0.14 -0.06 0.00 -1.41 0.00 0.00 60.65 58.99 3i8h s ILE 29 Cb -0.14 -0.84 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 3i8h s ILE 29 CO -0.03 0.28 0.02 0.68 -1.91 0.00 0.00 174.94 173.98 3i8h s VAL 30 N 1.82 4.03 -0.08 4.00 -7.23 0.19 -1.25 120.40 121.89 3i8h s VAL 30 Ca 0.04 -0.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.94 3i8h s VAL 30 Cb -0.13 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 3i8h s VAL 30 CO -0.07 0.40 -0.08 0.28 -0.31 0.00 0.00 175.10 175.32 3i8h s THR 31 N 1.23 3.57 -0.23 5.32 -1.32 0.37 -0.69 115.64 123.90 3i8h s THR 31 Ca 0.04 -0.52 -0.02 0.00 -1.21 0.00 0.00 61.69 59.97 3i8h s THR 31 Cb -0.15 -2.47 0.01 0.00 -1.51 0.00 0.00 72.50 68.39 3i8h s THR 31 CO 0.02 0.58 -0.07 -0.63 -2.21 0.00 0.00 174.62 172.30 3i8h s ILE 32 N -0.55 2.99 0.49 5.08 1.01 0.13 0.10 121.20 130.45 3i8h s ILE 32 Ca 0.08 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 60.02 3i8h s ILE 32 Cb -0.12 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 3i8h s ILE 32 CO 0.02 0.35 0.28 0.42 0.00 0.00 0.00 174.94 176.01 3i8h s THR 33 N 1.39 1.90 0.00 2.92 -4.23 -0.16 0.16 115.64 117.61 3i8h s THR 33 Ca 0.03 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3i8h s THR 33 Cb -0.15 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3i8h s THR 33 CO -0.05 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.13 3i8h n ASP 34 N -1.52 0.00 0.17 3.99 5.75 -0.14 -0.97 116.55 123.83 3i8h n ASP 34 Ca -0.03 -0.99 0.12 0.00 -0.01 0.00 0.00 54.79 53.88 3i8h n ASP 34 Cb 0.64 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 41.34 3i8h n ASP 34 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3i8h h PRO 35 N 0.00 0.00 0.00 0.11 0.11 -1.85 -1.93 132.00 128.44 3i8h h PRO 35 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i8h h PRO 35 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3i8h h PRO 35 CO 0.00 0.00 -1.30 -0.25 -0.21 0.00 0.00 178.00 176.24 3i8h n ASP 36 N -2.33 0.55 0.00 -2.05 10.43 -1.26 -4.94 116.55 116.95 3i8h n ASP 36 Ca -0.01 0.12 0.00 0.00 2.57 0.00 0.00 54.79 57.48 3i8h n ASP 36 Cb 0.09 0.97 0.00 0.00 1.84 0.00 0.00 41.12 44.02 3i8h n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i8h n GLY 37 N 1.24 0.76 3.66 0.44 0.00 -0.72 -5.07 105.19 105.49 3i8h n GLY 37 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3i8h n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i8h s ASN 38 N -1.84 7.04 0.10 1.61 0.01 -1.26 -4.66 114.94 115.95 3i8h s ASN 38 Ca 0.00 1.36 -0.36 0.00 -0.71 0.00 0.00 52.86 53.15 3i8h s ASN 38 Cb 0.00 -2.54 -0.17 0.00 0.41 0.00 0.00 41.25 38.95 3i8h s ASN 38 CO 0.00 -0.73 1.30 -2.65 -1.51 0.00 0.00 177.10 173.51 3i8h n PRO 39 N 6.47 1.11 -0.09 -0.60 -0.02 -1.26 -0.96 135.00 139.64 3i8h n PRO 39 Ca 0.12 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 3i8h n PRO 39 Cb 0.46 -2.01 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 3i8h n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i8h n ILE 40 N 2.30 0.99 -3.61 4.25 2.08 0.12 -4.86 119.36 120.64 3i8h n ILE 40 Ca 0.18 -0.35 -0.07 0.00 0.56 0.00 0.00 62.75 63.07 3i8h n ILE 40 Cb 0.20 -1.28 -0.05 0.00 -0.75 0.00 0.00 39.64 37.75 3i8h n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3i8h s THR 41 N -2.34 0.00 0.30 1.39 2.01 -0.84 -5.03 115.64 111.12 3i8h s THR 41 Ca -0.24 0.00 0.03 0.00 0.31 0.00 0.00 61.69 61.79 3i8h s THR 41 Cb 0.07 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.52 3i8h s THR 41 CO 0.38 0.00 0.08 -1.66 -0.69 0.00 0.00 174.62 172.73 3i8h s TRP 42 N -0.68 1.75 0.02 4.92 1.48 -1.26 0.22 118.94 125.39 3i8h s TRP 42 Ca 0.03 -1.09 -0.28 0.00 -1.06 0.00 0.00 56.10 53.70 3i8h s TRP 42 Cb -0.02 -1.09 0.10 0.00 -1.16 0.00 0.00 33.47 31.30 3i8h s TRP 42 CO -0.04 -0.18 0.87 0.45 -4.06 0.00 0.00 176.95 173.99 3i8h s SER 43 N -3.41 -0.37 0.31 -2.66 0.15 0.14 -4.84 113.70 103.02 3i8h s SER 43 Ca 0.37 -0.04 -0.17 0.00 0.70 0.00 0.00 55.95 56.81 3i8h s SER 43 Cb 0.08 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 3i8h s SER 43 CO 0.15 -0.68 0.70 -0.94 1.20 0.00 0.00 173.24 173.67 3i8h s SER 44 N -2.55 -0.10 0.41 5.45 1.04 -1.26 0.57 113.70 117.26 3i8h s SER 44 Ca 0.05 -0.86 0.22 0.00 0.48 0.00 0.00 55.95 55.84 3i8h s SER 44 Cb -0.01 0.75 1.18 0.00 0.10 0.00 0.00 66.02 68.04 3i8h s SER 44 CO -0.08 -1.42 1.62 1.23 0.98 0.00 0.00 173.24 175.57 3i8h h GLY 45 N 2.04 0.00 0.11 7.32 0.00 -1.23 -2.06 103.07 109.25 3i8h h GLY 45 Ca -0.24 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3i8h h GLY 45 CO 0.31 0.00 -0.35 -1.33 0.00 0.00 0.00 176.54 175.17 3i8h h GLY 46 N 0.00 0.06 1.50 4.60 0.00 -1.84 -3.14 103.07 104.25 3i8h h GLY 46 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.21 3i8h h GLY 46 CO 0.00 0.13 0.28 -2.08 0.00 0.00 0.00 176.54 174.86 3i8h h VAL 47 N -0.89 1.04 -0.98 4.60 2.07 -1.68 -2.47 116.25 117.94 3i8h h VAL 47 Ca -0.08 -0.16 0.18 0.00 0.82 0.00 0.00 66.70 67.46 3i8h h VAL 47 Cb 1.16 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.38 3i8h h VAL 47 CO -0.01 0.08 0.61 0.40 0.02 0.00 0.00 177.57 178.68 3i8h h ILE 48 N 0.46 0.75 0.00 4.57 1.08 -1.60 -3.45 117.51 119.32 3i8h h ILE 48 Ca 0.17 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 3i8h h ILE 48 Cb 0.10 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 33.80 3i8h h ILE 48 CO -0.04 0.13 0.00 0.61 -0.69 0.00 0.00 178.15 178.17 3i8h n GLY 49 N -1.38 -0.49 3.97 5.37 0.00 -0.93 -5.08 105.19 106.66 3i8h n GLY 49 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 3i8h n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8h s TYR 50 N -0.40 3.31 -0.13 1.61 4.12 -1.18 -5.08 117.35 119.60 3i8h s TYR 50 Ca 0.00 0.06 -0.06 0.00 0.02 0.00 0.00 57.07 57.09 3i8h s TYR 50 Cb 0.00 -1.93 0.06 0.00 -1.52 0.00 0.00 41.96 38.57 3i8h s TYR 50 CO 0.00 0.06 0.29 -1.59 0.02 0.00 0.00 175.55 174.32 3i8h s LYS 51 N -4.24 0.21 0.00 -0.62 -2.85 -1.26 -4.47 119.74 106.51 3i8h s LYS 51 Ca 0.42 0.70 0.00 0.00 -1.00 0.00 0.00 55.97 56.09 3i8h s LYS 51 Cb -0.09 -0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.65 3i8h s LYS 51 CO 0.33 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 175.97 3i8h n GLY 52 N 4.84 0.46 0.29 0.59 0.00 -1.26 -4.51 105.19 105.60 3i8h n GLY 52 Ca -0.15 -1.77 -0.00 0.00 0.00 0.00 0.00 46.02 44.09 3i8h n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i8h h SER 53 N 0.00 0.62 0.11 1.61 4.64 -2.00 -2.56 113.55 115.97 3i8h h SER 53 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3i8h h SER 53 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3i8h h SER 53 CO 0.00 0.60 0.00 0.54 -0.87 0.00 0.00 176.83 177.10 3i8h n ARG 54 N -4.32 0.04 0.20 4.77 1.74 -1.26 -1.12 116.66 116.71 3i8h n ARG 54 Ca 0.03 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.74 3i8h n ARG 54 Cb 0.19 -1.63 0.34 0.00 -1.02 0.00 0.00 32.46 30.35 3i8h n ARG 54 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i8h h LYS 55 N 0.00 0.00 0.03 5.56 1.57 -1.72 -2.93 116.57 119.08 3i8h h LYS 55 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 3i8h h LYS 55 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3i8h h LYS 55 CO 0.00 0.00 -1.00 0.78 -0.57 0.00 0.00 179.45 178.66 3i8h h GLY 56 N 3.61 0.37 -3.79 3.86 0.00 -0.98 -3.23 103.07 102.92 3i8h h GLY 56 Ca 0.00 -0.71 -0.54 0.00 0.00 0.00 0.00 47.33 46.08 3i8h h GLY 56 CO 0.00 0.62 -0.76 2.41 0.00 0.00 0.00 176.54 178.81 3i8h n THR 57 N -3.68 0.73 -0.04 4.70 -1.04 -1.11 -4.03 114.28 109.81 3i8h n THR 57 Ca -0.06 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.05 61.40 3i8h n THR 57 Cb 0.87 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.32 3i8h n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3i8h h PRO 58 N 0.36 0.24 -0.74 -2.82 0.13 -1.89 -2.01 132.00 125.27 3i8h h PRO 58 Ca -0.30 -0.07 0.16 0.00 -0.87 0.00 0.00 66.00 64.92 3i8h h PRO 58 Cb 1.24 -0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 3i8h h PRO 58 CO 0.41 0.45 0.19 -0.92 -0.23 0.00 0.00 178.00 177.90 3i8h h TYR 59 N -0.01 0.29 0.05 1.56 3.20 -1.92 0.19 116.97 120.34 3i8h h TYR 59 Ca 0.04 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.98 3i8h h TYR 59 Cb 0.34 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3i8h h TYR 59 CO 0.03 -0.08 -0.30 0.00 -1.64 0.00 0.00 178.16 176.17 3i8h h ALA 60 N 1.61 -0.46 0.00 1.82 0.00 -1.78 0.67 119.26 121.13 3i8h h ALA 60 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3i8h h ALA 60 Cb 0.71 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i8h h ALA 60 CO -0.51 -0.82 0.04 0.00 0.00 0.00 0.00 179.25 177.96 3i8h n ALA 61 N -2.70 0.93 -0.13 0.00 0.00 0.44 -1.17 120.51 117.88 3i8h n ALA 61 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i8h n ALA 61 Cb 0.31 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3i8h n ALA 61 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i8h n GLN 62 N -1.56 0.00 -0.48 0.00 7.27 0.22 -2.74 117.38 120.08 3i8h n GLN 62 Ca -0.00 0.31 0.40 0.00 0.07 0.00 0.00 57.00 57.78 3i8h n GLN 62 Cb 0.04 -0.79 0.68 0.00 2.41 0.00 0.00 30.24 32.58 3i8h n GLN 62 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3i8h h LEU 63 N 0.00 0.20 0.00 1.69 3.38 -0.66 -0.65 115.31 119.27 3i8h h LEU 63 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3i8h h LEU 63 Cb 0.00 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3i8h h LEU 63 CO 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.31 3i8h n ALA 64 N -2.55 -0.19 -0.33 1.53 0.00 -0.32 -1.19 120.51 117.45 3i8h n ALA 64 Ca 0.40 0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.13 3i8h n ALA 64 Cb 1.56 0.00 0.51 0.00 0.00 0.00 0.00 19.45 21.52 3i8h n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8h n ALA 65 N -1.27 0.98 -0.68 0.00 0.00 -0.38 -0.22 120.51 118.94 3i8h n ALA 65 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.15 3i8h n ALA 65 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3i8h n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8h n LEU 66 N -4.41 0.70 -0.30 0.00 4.77 -0.44 -2.05 117.00 115.27 3i8h n LEU 66 Ca 0.31 0.49 0.24 0.00 -0.03 0.00 0.00 56.01 57.01 3i8h n LEU 66 Cb 1.15 -0.16 0.44 0.00 -2.33 0.00 0.00 43.42 42.52 3i8h n LEU 66 CO 0.10 -0.16 0.88 -0.67 -1.33 0.00 0.00 177.39 176.21 3i8h n ASP 67 N -0.98 0.17 0.10 -1.43 -0.08 -0.12 0.59 116.55 114.80 3i8h n ASP 67 Ca 0.00 1.51 -0.08 0.00 -1.51 0.00 0.00 54.79 54.72 3i8h n ASP 67 Cb 0.00 -0.67 -0.04 0.00 2.34 0.00 0.00 41.12 42.74 3i8h n ASP 67 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i8h h ALA 68 N 1.81 -0.85 0.34 -1.67 0.00 -0.64 -0.13 119.26 118.12 3i8h h ALA 68 Ca 0.69 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.53 3i8h h ALA 68 Cb 1.73 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 20.04 3i8h h ALA 68 CO -0.75 -0.88 -0.28 0.00 0.00 0.00 0.00 179.25 177.33 3i8h h ALA 69 N -1.28 -0.63 -0.71 0.00 0.00 0.35 -1.06 119.26 115.93 3i8h h ALA 69 Ca -0.02 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3i8h h ALA 69 Cb 0.36 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.43 3i8h h ALA 69 CO -0.07 -0.88 -0.32 1.17 0.00 0.00 0.00 179.25 179.15 3i8h n LYS 70 N -5.41 -0.21 0.35 0.00 4.81 0.20 0.82 118.16 118.72 3i8h n LYS 70 Ca -0.10 1.09 -0.17 0.00 -0.87 0.00 0.00 58.31 58.26 3i8h n LYS 70 Cb 0.31 -1.61 -0.09 0.00 0.02 0.00 0.00 35.03 33.66 3i8h n LYS 70 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3i8h h LYS 71 N 0.00 -0.82 -0.97 1.64 1.57 -0.57 -2.82 116.57 114.59 3i8h h LYS 71 Ca 0.20 0.06 0.31 0.00 -1.87 0.00 0.00 60.65 59.35 3i8h h LYS 71 Cb 0.38 0.19 -0.17 0.00 0.08 0.00 0.00 32.23 32.71 3i8h h LYS 71 CO -0.70 -0.54 0.21 0.00 -0.57 0.00 0.00 179.45 177.86 3i8h h ALA 72 N -0.51 1.48 -0.02 3.86 0.00 0.17 1.56 119.26 125.80 3i8h h ALA 72 Ca -0.09 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i8h h ALA 72 Cb 0.66 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3i8h h ALA 72 CO 0.14 -0.66 0.01 0.52 0.00 0.00 0.00 179.25 179.27 3i8h h MET 73 N 0.05 0.00 -0.20 0.00 2.86 -0.42 -1.78 114.93 115.44 3i8h h MET 73 Ca 0.66 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.26 3i8h h MET 73 Cb 1.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.14 3i8h h MET 73 CO -0.83 0.00 -0.06 0.00 1.06 0.00 0.00 176.91 177.08 3i8h h ALA 74 N 1.99 1.53 -0.16 6.32 0.00 0.23 0.17 119.26 129.35 3i8h h ALA 74 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3i8h h ALA 74 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i8h h ALA 74 CO -0.00 0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.25 3i8h n TYR 75 N -4.31 0.37 -1.71 0.00 4.02 -0.68 -4.85 117.16 110.00 3i8h n TYR 75 Ca -0.00 -0.15 -0.01 0.00 -0.01 0.00 0.00 57.90 57.73 3i8h n TYR 75 Cb 0.23 -0.10 0.01 0.00 -0.02 0.00 0.00 39.34 39.46 3i8h n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i8h n GLY 76 N 0.45 0.20 3.56 2.72 0.00 0.03 -3.64 105.19 108.51 3i8h n GLY 76 Ca 0.06 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3i8h n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i8h s MET 77 N -3.10 2.00 0.34 1.61 0.00 -1.07 -3.44 119.30 115.64 3i8h s MET 77 Ca 0.03 -1.51 0.00 0.00 0.00 0.00 0.00 55.69 54.21 3i8h s MET 77 Cb -0.00 -2.01 0.00 0.00 0.00 0.00 0.00 34.83 32.81 3i8h s MET 77 CO 0.10 0.37 0.00 1.04 0.00 0.00 0.00 175.02 176.52 3i8h n GLN 78 N -0.56 0.00 -4.18 4.11 6.02 -1.02 -4.61 117.38 117.14 3i8h n GLN 78 Ca -0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.69 3i8h n GLN 78 Cb 0.58 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.79 3i8h n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i8h s SER 79 N -4.17 5.17 0.23 1.08 1.04 -1.20 -1.94 113.70 113.91 3i8h s SER 79 Ca 0.00 -0.38 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 3i8h s SER 79 Cb 0.00 -1.21 -0.01 0.00 0.10 0.00 0.00 66.02 64.90 3i8h s SER 79 CO 0.00 -0.01 0.41 0.68 0.98 0.00 0.00 173.24 175.29 3i8h s VAL 80 N -2.16 0.01 -0.25 5.02 -7.23 -0.95 -2.24 120.40 112.61 3i8h s VAL 80 Ca 0.32 -1.48 0.09 0.00 -1.81 0.00 0.00 61.98 59.10 3i8h s VAL 80 Cb -0.08 -2.20 0.44 0.00 0.56 0.00 0.00 36.38 35.10 3i8h s VAL 80 CO 0.23 -0.03 1.20 0.47 -0.31 0.00 0.00 175.10 176.66 3i8h n ASP 81 N -0.35 3.33 0.00 4.85 9.92 -1.22 -1.71 116.55 131.37 3i8h n ASP 81 Ca -0.02 -3.80 0.00 0.00 -0.53 0.00 0.00 54.79 50.44 3i8h n ASP 81 Cb 0.63 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 3i8h n ASP 81 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3i8h n VAL 82 N -0.90 0.00 -3.79 2.53 0.31 -1.05 -4.56 118.33 110.87 3i8h n VAL 82 Ca 0.31 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.46 3i8h n VAL 82 Cb 0.84 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.60 3i8h n VAL 82 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3i8h s ILE 83 N 0.00 0.05 -0.11 2.52 1.01 0.93 -1.89 121.20 123.71 3i8h s ILE 83 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.89 3i8h s ILE 83 Cb 0.00 -0.21 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 3i8h s ILE 83 CO 0.00 0.16 -0.12 0.68 0.00 0.00 0.00 174.94 175.66 3i8h s VAL 84 N 1.51 3.20 -0.16 2.92 -7.23 -0.08 0.64 120.40 121.19 3i8h s VAL 84 Ca -0.03 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.52 3i8h s VAL 84 Cb -0.13 -2.33 0.02 0.00 0.56 0.00 0.00 36.38 34.50 3i8h s VAL 84 CO -0.03 0.54 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.99 3i8h s ARG 85 N 0.05 2.77 0.00 4.82 0.52 0.59 -1.73 118.95 125.97 3i8h s ARG 85 Ca -0.04 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 3i8h s ARG 85 Cb -0.14 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 32.93 3i8h s ARG 85 CO 0.04 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.58 3i8h n GLY 86 N 4.60 1.93 3.90 -3.53 0.00 -1.26 -1.41 105.19 109.42 3i8h n GLY 86 Ca -0.20 -1.98 -0.21 0.00 0.00 0.00 0.00 46.02 43.63 3i8h n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i8h s THR 87 N -2.45 4.86 0.00 2.61 2.01 -1.15 -4.63 115.64 116.89 3i8h s THR 87 Ca 0.00 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 60.82 3i8h s THR 87 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3i8h s THR 87 CO 0.00 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 3i8h n GLY 88 N -1.31 0.96 0.33 4.40 0.00 -1.26 -3.47 105.19 104.84 3i8h n GLY 88 Ca -0.08 -1.44 -0.06 0.00 0.00 0.00 0.00 46.02 44.43 3i8h n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h h ALA 89 N 0.00 1.03 0.00 4.61 0.00 -1.77 -3.03 119.26 120.11 3i8h h ALA 89 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i8h h ALA 89 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3i8h h ALA 89 CO 0.00 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.31 3i8h n GLY 90 N -0.78 -1.56 0.00 0.00 0.00 -1.26 -4.37 105.19 97.22 3i8h n GLY 90 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i8h n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8h n ARG 91 N -1.95 0.00 -0.04 1.61 5.12 -1.14 -1.11 116.66 119.15 3i8h n ARG 91 Ca 0.06 0.41 -0.13 0.00 -1.93 0.00 0.00 57.85 56.26 3i8h n ARG 91 Cb 0.37 -0.85 -0.07 0.00 -1.16 0.00 0.00 32.46 30.74 3i8h n ARG 91 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3i8h h GLU 92 N 0.00 0.25 -0.24 5.56 3.07 -1.83 -3.05 114.58 118.35 3i8h h GLU 92 Ca 0.00 -0.12 0.07 0.00 -0.50 0.00 0.00 59.36 58.81 3i8h h GLU 92 Cb 0.00 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3i8h h GLU 92 CO 0.00 0.61 0.30 1.96 -1.40 0.00 0.00 179.01 180.49 3i8h h GLN 93 N -0.12 0.00 0.19 2.33 1.08 -1.75 0.13 115.11 116.97 3i8h h GLN 93 Ca 0.02 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.90 3i8h h GLN 93 Cb 0.55 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.00 3i8h h GLN 93 CO 0.02 0.00 -1.50 0.00 -0.95 0.00 0.00 178.83 176.40 3i8h h ALA 94 N 1.61 0.05 0.26 3.87 0.00 -1.09 -2.95 119.26 121.01 3i8h h ALA 94 Ca 0.11 -0.98 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 3i8h h ALA 94 Cb 0.72 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i8h h ALA 94 CO -0.00 0.92 -0.14 0.82 0.00 0.00 0.00 179.25 180.85 3i8h h ILE 95 N 0.11 0.00 -1.37 0.00 1.08 -0.70 -1.44 117.51 115.18 3i8h h ILE 95 Ca -0.25 0.00 0.40 0.00 -0.39 0.00 0.00 64.86 64.62 3i8h h ILE 95 Cb 2.08 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.78 3i8h h ILE 95 CO 0.22 0.00 0.98 0.03 -0.69 0.00 0.00 178.15 178.69 3i8h h ARG 96 N -0.37 0.01 -0.14 2.37 3.08 -1.26 0.19 114.38 118.27 3i8h h ARG 96 Ca -0.04 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 3i8h h ARG 96 Cb 0.29 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3i8h h ARG 96 CO 0.05 0.01 -0.26 0.00 -1.07 0.00 0.00 179.97 178.70 3i8h h ALA 97 N 1.32 0.22 -0.31 0.04 0.00 -1.27 -2.87 119.26 116.39 3i8h h ALA 97 Ca 0.66 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3i8h h ALA 97 Cb 2.61 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 20.34 3i8h h ALA 97 CO -0.03 0.21 0.16 -0.07 0.00 0.00 0.00 179.25 179.52 3i8h h LEU 98 N 0.02 0.25 -0.38 0.00 3.38 0.46 -2.63 115.31 116.40 3i8h h LEU 98 Ca 0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3i8h h LEU 98 Cb 0.85 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 3i8h h LEU 98 CO 0.06 0.18 0.09 1.56 0.09 0.00 0.00 178.44 180.42 3i8h h GLN 99 N 0.34 0.22 -0.33 1.13 4.20 -1.53 -0.95 115.11 118.19 3i8h h GLN 99 Ca 0.13 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3i8h h GLN 99 Cb 0.03 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3i8h h GLN 99 CO -0.08 0.14 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 3i8h n ALA 100 N -2.41 2.22 -0.71 3.87 0.00 -1.02 -2.78 120.51 119.68 3i8h n ALA 100 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.54 3i8h n ALA 100 Cb 0.17 -1.00 0.21 0.00 0.00 0.00 0.00 19.45 18.82 3i8h n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i8h n SER 101 N -0.24 3.38 0.00 0.00 3.41 -0.36 -4.97 113.62 114.84 3i8h n SER 101 Ca 0.00 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 3i8h n SER 101 Cb 0.08 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3i8h n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8h n GLY 102 N -0.28 2.22 1.46 5.00 0.00 -1.12 -4.93 105.19 107.54 3i8h n GLY 102 Ca 0.17 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3i8h n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8h n LEU 103 N 0.00 0.23 -4.57 0.99 7.99 -1.25 -4.68 117.00 115.70 3i8h n LEU 103 Ca 0.00 0.19 -0.39 0.00 -0.01 0.00 0.00 56.01 55.79 3i8h n LEU 103 Cb 0.00 -0.39 -0.03 0.00 -0.11 0.00 0.00 43.42 42.89 3i8h n LEU 103 CO 0.00 -0.32 1.83 -1.58 -1.51 0.00 0.00 177.39 175.81 3i8h s GLN 104 N 3.23 2.66 -1.06 3.23 0.74 -0.82 -4.48 119.66 123.17 3i8h s GLN 104 Ca 0.55 1.45 -0.22 0.00 0.05 0.00 0.00 55.36 57.19 3i8h s GLN 104 Cb -0.60 -4.43 0.01 0.00 1.10 0.00 0.00 33.01 29.08 3i8h s GLN 104 CO 0.25 -2.64 1.71 0.14 -0.55 0.00 0.00 175.29 174.20 3i8h s VAL 105 N 9.78 3.78 0.24 1.34 -7.23 -1.26 -2.23 120.40 124.82 3i8h s VAL 105 Ca 0.90 -0.89 0.34 0.00 -1.81 0.00 0.00 61.98 60.52 3i8h s VAL 105 Cb -0.22 -4.73 0.34 0.00 0.56 0.00 0.00 36.38 32.34 3i8h s VAL 105 CO 0.29 -1.55 2.03 0.11 -0.31 0.00 0.00 175.10 175.67 3i8h h LYS 106 N 9.78 0.00 0.00 4.82 1.57 -1.66 -3.45 116.57 127.64 3i8h h LYS 106 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3i8h h LYS 106 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3i8h h LYS 106 CO 1.35 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 179.10 3i8h n SER 107 N -2.68 0.00 -4.00 0.86 3.41 -1.26 -5.03 113.62 104.92 3i8h n SER 107 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.32 3i8h n SER 107 Cb 0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.84 3i8h n SER 107 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i8h s ILE 108 N -2.00 1.22 0.06 -1.33 1.01 -1.26 -2.54 121.20 116.36 3i8h s ILE 108 Ca 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.22 3i8h s ILE 108 Cb 0.00 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 3i8h s ILE 108 CO 0.00 0.38 -0.14 -0.69 0.00 0.00 0.00 174.94 174.49 3i8h s VAL 109 N 1.04 1.13 -0.36 2.92 1.01 -0.79 -5.01 120.40 120.34 3i8h s VAL 109 Ca -0.07 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 3i8h s VAL 109 Cb -0.15 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.24 3i8h s VAL 109 CO -0.01 -0.13 0.13 -0.62 0.00 0.00 0.00 175.10 174.47 3i8h s ASP 110 N -1.51 5.22 -0.54 3.32 2.15 -1.26 -0.90 116.67 123.15 3i8h s ASP 110 Ca -0.00 -1.53 0.03 0.00 0.43 0.00 0.00 52.55 51.47 3i8h s ASP 110 Cb -0.09 -1.83 0.42 0.00 -0.30 0.00 0.00 42.92 41.12 3i8h s ASP 110 CO 0.02 -0.41 1.48 -0.67 -0.17 0.00 0.00 175.17 175.42 3i8h n ASP 111 N 4.70 5.86 -4.66 -0.34 2.03 -0.70 -4.98 116.55 118.45 3i8h n ASP 111 Ca -0.09 -3.77 -0.42 0.00 0.52 0.00 0.00 54.79 51.03 3i8h n ASP 111 Cb 0.43 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 40.15 3i8h n ASP 111 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3i8h s THR 112 N -5.11 3.33 0.13 5.18 2.01 -1.25 -4.71 115.64 115.22 3i8h s THR 112 Ca 0.52 0.45 -0.31 0.00 0.31 0.00 0.00 61.69 62.66 3i8h s THR 112 Cb 0.43 -3.29 -0.10 0.00 0.01 0.00 0.00 72.50 69.54 3i8h s THR 112 CO -0.17 -0.04 1.73 -2.16 -0.69 0.00 0.00 174.62 173.30 3i8h s PRO 113 N 4.03 4.16 -0.16 4.92 0.04 -1.26 -4.90 135.00 141.83 3i8h s PRO 113 Ca 0.78 2.50 -0.04 0.00 0.04 0.00 0.00 61.00 64.29 3i8h s PRO 113 Cb -0.37 -3.43 0.06 0.00 0.04 0.00 0.00 34.50 30.80 3i8h s PRO 113 CO 0.34 -0.77 0.12 0.54 0.04 0.00 0.00 177.00 177.27 3i8h s VAL 114 N 2.18 -0.16 0.34 -0.36 0.11 -1.26 -5.00 120.40 116.26 3i8h s VAL 114 Ca 0.77 -0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.47 3i8h s VAL 114 Cb -0.45 -0.54 -0.10 0.00 -1.53 0.00 0.00 36.38 33.76 3i8h s VAL 114 CO 0.34 -0.19 1.25 -2.16 -3.33 0.00 0.00 175.10 171.00 3i8h s PRO 115 N 2.19 4.31 -0.58 1.54 0.04 -1.26 -4.92 135.00 136.33 3i8h s PRO 115 Ca 0.03 2.07 -0.06 0.00 0.04 0.00 0.00 61.00 63.09 3i8h s PRO 115 Cb -0.15 -2.99 -0.09 0.00 0.04 0.00 0.00 34.50 31.31 3i8h s PRO 115 CO -0.09 -0.17 3.09 0.72 0.04 0.00 0.00 177.00 180.59 3i8h n HIS 116 N 0.67 1.23 -2.41 0.56 8.25 -1.26 -4.52 115.22 117.73 3i8h n HIS 116 Ca 0.01 -2.07 -0.04 0.00 -0.26 0.00 0.00 57.72 55.36 3i8h n HIS 116 Cb 0.43 -1.71 0.02 0.00 1.12 0.00 0.00 29.99 29.85 3i8h n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i8h n ASN 117 N 2.07 -4.87 0.00 0.41 5.03 -1.26 -5.07 115.26 111.57 3i8h n ASN 117 Ca 0.53 -0.22 0.00 0.00 0.87 0.00 0.00 54.58 55.76 3i8h n ASN 117 Cb 0.60 -3.23 0.00 0.00 -1.02 0.00 0.00 39.78 36.13 3i8h n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i8h n GLY 118 N -1.39 1.57 3.78 7.41 0.00 -1.26 -5.02 105.19 110.28 3i8h n GLY 118 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3i8h n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h s ARG 120 N -5.08 4.70 0.54 0.00 3.52 -1.26 -5.04 118.95 116.34 3i8h s ARG 120 Ca 0.62 1.48 -0.10 0.00 -0.13 0.00 0.00 55.73 57.60 3i8h s ARG 120 Cb -0.16 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 3i8h s ARG 120 CO 0.55 0.23 0.92 -2.14 -0.81 0.00 0.00 175.30 174.05 3i8h s PRO 121 N -0.16 3.66 1.09 5.12 0.02 -1.26 -5.03 135.00 138.44 3i8h s PRO 121 Ca 0.47 0.59 -0.16 0.00 0.02 0.00 0.00 61.00 61.92 3i8h s PRO 121 Cb -0.24 -2.21 0.12 0.00 0.02 0.00 0.00 34.50 32.19 3i8h s PRO 121 CO 0.31 -0.36 0.26 1.63 -0.33 0.00 0.00 177.00 178.51 3i8h n LYS 122 N -2.25 -1.44 -0.15 5.54 5.02 -1.26 -4.69 118.16 118.93 3i8h n LYS 122 Ca 0.04 -0.40 0.09 0.00 -2.02 0.00 0.00 58.31 56.02 3i8h n LYS 122 Cb 0.54 -1.82 0.41 0.00 -0.02 0.00 0.00 35.03 34.15 3i8h n LYS 122 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i8h h LYS 123 N -2.06 0.60 0.00 1.97 3.64 -1.96 -2.80 116.57 115.96 3i8h h LYS 123 Ca -0.53 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3i8h h LYS 123 Cb 1.34 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3i8h h LYS 123 CO 0.39 0.40 0.00 1.17 -2.27 0.00 0.00 179.45 179.14 3i8h n LYS 124 N -4.48 0.00 0.00 1.90 4.81 -1.26 -1.81 118.16 117.31 3i8h n LYS 124 Ca 0.11 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 3i8h n LYS 124 Cb 0.29 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 33.94 3i8h n LYS 124 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3i8h n PHE 125 N -2.22 0.00 -3.20 5.64 3.01 -1.16 -3.93 117.46 115.60 3i8h n PHE 125 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 3i8h n PHE 125 Cb 0.00 -0.05 -0.06 0.00 -0.01 0.00 0.00 39.48 39.37 3i8h n PHE 125 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3i8h n ARG 126 N -0.08 1.54 0.00 -1.08 0.63 -0.75 -4.78 116.66 112.14 3i8h n ARG 126 Ca 0.00 -3.81 0.10 0.00 -0.92 0.00 0.00 57.85 53.22 3i8h n ARG 126 Cb 0.11 -1.71 -0.06 0.00 0.45 0.00 0.00 32.46 31.25 3i8h n ARG 126 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3i8h n LYS 127 N 0.75 0.19 -4.03 -0.14 4.76 -1.25 -4.85 118.16 113.59 3i8h n LYS 127 Ca 0.25 -0.15 -0.23 0.00 -2.87 0.00 0.00 58.31 55.31 3i8h n LYS 127 Cb 0.52 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 3i8h n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i8h s ALA 128 N -2.92 3.78 -1.54 7.82 0.00 -1.26 -5.22 121.76 122.43 3i8h s ALA 128 Ca 0.10 -1.26 0.12 0.00 0.00 0.00 0.00 51.96 50.92 3i8h s ALA 128 Cb 0.16 -1.56 0.10 0.00 0.00 0.00 0.00 23.12 21.82 3i8h s ALA 128 CO 0.81 0.32 0.89 0.45 0.00 0.00 0.00 175.76 178.22