#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh s ARG 12 N 0.00 1.98 0.04 1.97 3.52 -1.26 -5.09 118.95 120.11 3knh s ARG 12 Ca 0.00 1.45 0.04 0.00 -0.13 0.00 0.00 55.73 57.09 3knh s ARG 12 Cb 0.00 -1.84 -0.02 0.00 -1.56 0.00 0.00 34.95 31.52 3knh s ARG 12 CO 0.00 -1.90 -0.12 -0.65 -0.81 0.00 0.00 175.30 171.82 3knh s GLN 13 N -4.47 0.81 0.10 5.12 -0.21 -1.26 -5.04 119.66 114.72 3knh s GLN 13 Ca 0.67 -0.74 0.03 0.00 0.02 0.00 0.00 55.36 55.34 3knh s GLN 13 Cb -0.22 -0.78 -0.04 0.00 1.00 0.00 0.00 33.01 32.97 3knh s GLN 13 CO 0.52 0.19 -0.08 0.14 -2.12 0.00 0.00 175.29 173.93 3knh s VAL 14 N -0.93 0.84 0.00 1.09 -7.23 -1.19 -5.04 120.40 107.94 3knh s VAL 14 Ca -0.01 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 3knh s VAL 14 Cb -0.08 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.36 3knh s VAL 14 CO 0.01 -0.70 0.00 0.00 -0.31 0.00 0.00 175.10 174.10 3knh n ALA 15 N 0.27 0.00 -2.21 1.32 0.00 -1.26 -1.29 120.51 117.34 3knh n ALA 15 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 3knh n ALA 15 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 3knh n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knh s SER 16 N -1.00 7.10 0.00 0.00 0.15 -1.26 -2.79 113.70 115.90 3knh s SER 16 Ca 0.00 2.13 0.00 0.00 0.70 0.00 0.00 55.95 58.78 3knh s SER 16 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 3knh s SER 16 CO 0.00 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.65 3knh n GLY 17 N 2.64 4.21 0.00 9.45 0.00 -0.86 -3.70 105.19 116.93 3knh n GLY 17 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3knh n GLY 17 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knh n ARG 18 N 0.00 0.00 -4.70 1.61 0.63 0.10 -4.21 116.66 110.09 3knh n ARG 18 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 3knh n ARG 18 Cb 0.00 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 32.79 3knh n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knh s ALA 19 N -0.19 2.83 -0.07 5.13 0.00 -0.85 0.29 121.76 128.90 3knh s ALA 19 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3knh s ALA 19 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 3knh s ALA 19 CO 0.00 0.47 -0.15 0.71 0.00 0.00 0.00 175.76 176.78 3knh s TYR 20 N -0.44 2.70 -0.25 0.00 1.51 0.60 -1.59 117.35 119.88 3knh s TYR 20 Ca 0.06 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 3knh s TYR 20 Cb -0.12 -1.69 0.06 0.00 -0.11 0.00 0.00 41.96 40.10 3knh s TYR 20 CO 0.02 0.01 -0.06 0.42 -1.11 0.00 0.00 175.55 174.83 3knh s ILE 21 N -0.33 1.71 -0.22 2.71 1.09 0.82 -0.95 121.20 126.04 3knh s ILE 21 Ca 0.03 -1.38 -0.17 0.00 -1.10 0.00 0.00 60.65 58.03 3knh s ILE 21 Cb -0.13 -1.95 -0.03 0.00 -1.06 0.00 0.00 42.46 39.29 3knh s ILE 21 CO 0.02 -0.12 0.46 -2.28 -0.10 0.00 0.00 174.94 172.92 3knh s HIS 22 N 1.30 3.34 -0.53 3.97 2.46 0.87 0.12 115.29 126.82 3knh s HIS 22 Ca -0.06 0.65 0.04 0.00 0.47 0.00 0.00 55.06 56.16 3knh s HIS 22 Cb -0.19 -2.62 0.14 0.00 -0.13 0.00 0.00 32.58 29.78 3knh s HIS 22 CO -0.06 -0.12 0.31 0.00 -2.47 0.00 0.00 174.74 172.39 3knh s ALA 23 N 1.70 3.06 0.00 1.58 0.00 -1.14 -0.22 121.76 126.74 3knh s ALA 23 Ca 0.21 -3.20 0.00 0.00 0.00 0.00 0.00 51.96 48.97 3knh s ALA 23 Cb -0.15 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.90 3knh s ALA 23 CO 0.09 -2.05 0.00 0.45 0.00 0.00 0.00 175.76 174.25 3knh n SER 24 N 2.96 0.00 0.12 0.00 2.88 -0.10 -3.97 113.62 115.51 3knh n SER 24 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 3knh n SER 24 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 3knh n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3knh n TYR 25 N 0.00 -2.17 1.88 0.66 4.02 -1.26 -4.04 117.16 116.25 3knh n TYR 25 Ca 0.00 0.38 0.07 0.00 -0.01 0.00 0.00 57.90 58.34 3knh n TYR 25 Cb 0.00 0.55 0.37 0.00 -0.02 0.00 0.00 39.34 40.24 3knh n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3knh n ASN 26 N -3.37 0.24 -3.61 7.72 3.02 -1.26 -4.47 115.26 113.53 3knh n ASN 26 Ca 0.00 -1.63 -0.05 0.00 -0.03 0.00 0.00 54.58 52.87 3knh n ASN 26 Cb 0.00 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 3knh n ASN 26 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3knh s ASN 27 N -1.40 -0.23 -0.20 6.41 2.47 -1.26 -2.98 114.94 117.76 3knh s ASN 27 Ca 0.21 -0.14 -0.04 0.00 0.42 0.00 0.00 52.86 53.30 3knh s ASN 27 Cb 0.10 0.35 0.08 0.00 -1.45 0.00 0.00 41.25 40.32 3knh s ASN 27 CO 0.16 -0.60 0.14 -0.89 -3.72 0.00 0.00 177.10 172.20 3knh s THR 28 N -2.96 -0.18 -0.10 -5.21 2.01 -1.18 -0.93 115.64 107.10 3knh s THR 28 Ca 0.09 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.92 3knh s THR 28 Cb -0.00 -0.66 -0.00 0.00 0.01 0.00 0.00 72.50 71.85 3knh s THR 28 CO -0.04 -0.31 -0.24 -0.51 -0.69 0.00 0.00 174.62 172.83 3knh s ILE 29 N 2.21 2.04 0.01 1.82 2.07 0.70 -3.63 121.20 126.41 3knh s ILE 29 Ca 0.05 -1.01 0.06 0.00 -1.41 0.00 0.00 60.65 58.33 3knh s ILE 29 Cb -0.16 -1.76 -0.02 0.00 0.13 0.00 0.00 42.46 40.65 3knh s ILE 29 CO -0.14 0.56 -0.19 0.68 -1.91 0.00 0.00 174.94 173.95 3knh s VAL 30 N 0.32 1.47 0.04 4.00 -7.23 0.63 -0.09 120.40 119.54 3knh s VAL 30 Ca -0.18 -0.91 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 3knh s VAL 30 Cb -0.18 -1.25 -0.02 0.00 0.56 0.00 0.00 36.38 35.49 3knh s VAL 30 CO 0.09 0.32 -0.12 0.28 -0.31 0.00 0.00 175.10 175.36 3knh s THR 31 N -0.56 0.93 -0.21 5.32 -1.32 -0.12 -0.32 115.64 119.36 3knh s THR 31 Ca 0.07 -0.95 -0.02 0.00 -1.21 0.00 0.00 61.69 59.57 3knh s THR 31 Cb -0.08 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 3knh s THR 31 CO 0.00 -0.07 -0.09 0.27 -2.21 0.00 0.00 174.62 172.52 3knh s ILE 32 N -0.90 2.96 0.08 5.08 -4.36 0.44 0.22 121.20 124.73 3knh s ILE 32 Ca -0.01 -0.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 3knh s ILE 32 Cb -0.08 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.32 3knh s ILE 32 CO 0.01 0.46 0.07 0.35 0.24 0.00 0.00 174.94 176.07 3knh n THR 33 N 4.72 0.00 -3.30 8.37 -2.24 0.85 -2.77 114.28 119.91 3knh n THR 33 Ca -0.19 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.09 3knh n THR 33 Cb 0.51 -0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 3knh n THR 33 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3knh s ASP 34 N -1.47 5.30 0.24 3.42 3.84 -1.14 -0.72 116.67 126.15 3knh s ASP 34 Ca 0.05 -0.63 0.14 0.00 -0.00 0.00 0.00 52.55 52.11 3knh s ASP 34 Cb -0.00 -0.52 0.89 0.00 -1.38 0.00 0.00 42.92 41.91 3knh s ASP 34 CO 0.03 -0.76 1.03 -2.65 -0.00 0.00 0.00 175.17 172.83 3knh n PRO 35 N -1.73 -0.04 -0.20 2.11 -0.02 -1.24 0.41 135.00 134.29 3knh n PRO 35 Ca 0.06 0.90 0.12 0.00 -2.02 0.00 0.00 63.50 62.56 3knh n PRO 35 Cb 0.61 -1.62 0.24 0.00 -0.02 0.00 0.00 33.50 32.70 3knh n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3knh n ASP 36 N -4.46 3.42 0.00 2.55 9.92 -1.26 -5.00 116.55 121.71 3knh n ASP 36 Ca 0.25 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.53 3knh n ASP 36 Cb 0.85 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 3knh n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3knh n GLY 37 N 1.51 2.90 3.49 0.44 0.00 0.17 -5.03 105.19 108.66 3knh n GLY 37 Ca 0.20 -0.75 -0.48 0.00 0.00 0.00 0.00 46.02 44.98 3knh n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knh n ASN 38 N 0.54 2.46 -3.21 1.61 5.03 -1.26 -4.43 115.26 115.99 3knh n ASN 38 Ca 0.00 0.35 -0.14 0.00 0.87 0.00 0.00 54.58 55.66 3knh n ASN 38 Cb 0.00 -1.35 0.13 0.00 -1.02 0.00 0.00 39.78 37.55 3knh n ASN 38 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3knh n PRO 39 N 8.36 -2.33 0.00 3.52 -0.02 -1.26 -2.87 135.00 140.41 3knh n PRO 39 Ca 0.38 -0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 3knh n PRO 39 Cb 0.29 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 3knh n PRO 39 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3knh n ILE 40 N -4.20 0.00 -3.75 4.25 -0.00 -1.12 -4.73 119.36 109.82 3knh n ILE 40 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.68 3knh n ILE 40 Cb 0.27 -0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 39.82 3knh n ILE 40 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 3knh s THR 41 N -1.02 0.02 0.00 7.28 2.01 -1.16 -5.00 115.64 117.78 3knh s THR 41 Ca 0.00 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.80 3knh s THR 41 Cb 0.00 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.95 3knh s THR 41 CO 0.00 -0.11 0.00 -2.67 -0.69 0.00 0.00 174.62 171.15 3knh n TRP 42 N 2.18 0.00 0.00 4.92 4.27 -1.26 0.17 117.44 127.71 3knh n TRP 42 Ca -0.17 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.44 3knh n TRP 42 Cb 0.57 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.52 3knh n TRP 42 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3knh n SER 43 N -1.20 0.00 -0.28 -0.67 2.88 0.57 -4.43 113.62 110.48 3knh n SER 43 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3knh n SER 43 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3knh n SER 43 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3knh n SER 44 N 0.00 0.00 0.09 -3.46 3.41 -1.26 -0.27 113.62 112.13 3knh n SER 44 Ca 0.00 -0.28 -0.13 0.00 -0.26 0.00 0.00 58.87 58.20 3knh n SER 44 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 3knh n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3knh h GLY 45 N 0.00 0.27 1.88 5.00 0.00 -1.76 -3.02 103.07 105.45 3knh h GLY 45 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 3knh h GLY 45 CO 0.00 0.53 -0.45 -1.33 0.00 0.00 0.00 176.54 175.29 3knh h GLY 46 N 1.78 0.14 1.88 4.60 0.00 -1.84 -1.88 103.07 107.76 3knh h GLY 46 Ca -0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3knh h GLY 46 CO 0.17 0.12 -0.21 -2.08 0.00 0.00 0.00 176.54 174.55 3knh h VAL 47 N 0.11 1.20 0.00 4.60 2.07 -1.81 -3.39 116.25 119.02 3knh h VAL 47 Ca 0.01 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3knh h VAL 47 Cb 0.83 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3knh h VAL 47 CO 0.06 0.27 0.00 -0.38 0.02 0.00 0.00 177.57 177.54 3knh n ILE 48 N -4.23 0.00 -2.46 4.57 2.08 -0.82 -4.92 119.36 113.58 3knh n ILE 48 Ca -0.01 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.34 3knh n ILE 48 Cb 0.31 -0.02 0.03 0.00 -0.75 0.00 0.00 39.64 39.20 3knh n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3knh n GLY 49 N 4.68 1.22 3.19 7.39 0.00 -1.19 -5.07 105.19 115.41 3knh n GLY 49 Ca 0.00 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 3knh n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knh s TYR 50 N -0.23 1.73 -0.27 1.61 1.51 -0.77 -5.04 117.35 115.88 3knh s TYR 50 Ca 0.34 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 56.01 3knh s TYR 50 Cb 0.39 -1.12 0.10 0.00 -0.11 0.00 0.00 41.96 41.22 3knh s TYR 50 CO -0.16 -0.05 0.17 0.21 -1.11 0.00 0.00 175.55 174.61 3knh s LYS 51 N -0.38 0.21 0.00 -0.62 2.36 -1.26 -2.71 119.74 117.34 3knh s LYS 51 Ca 0.06 -0.34 0.00 0.00 -2.55 0.00 0.00 55.97 53.14 3knh s LYS 51 Cb -0.08 -1.12 0.00 0.00 -1.05 0.00 0.00 37.83 35.58 3knh s LYS 51 CO -0.00 -0.96 0.00 0.41 1.55 0.00 0.00 175.35 176.35 3knh n GLY 52 N 5.27 0.16 0.05 5.54 0.00 -1.26 -4.76 105.19 110.20 3knh n GLY 52 Ca -0.05 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.09 3knh n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3knh n SER 53 N 0.00 0.32 -2.10 1.61 3.41 -1.26 -2.99 113.62 112.61 3knh n SER 53 Ca 0.00 0.54 -0.21 0.00 -0.26 0.00 0.00 58.87 58.94 3knh n SER 53 Cb 0.00 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.34 3knh n SER 53 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3knh n ARG 54 N -1.81 2.04 0.00 4.33 1.74 -1.26 -3.57 116.66 118.12 3knh n ARG 54 Ca 0.05 -1.89 0.00 0.00 -0.77 0.00 0.00 57.85 55.24 3knh n ARG 54 Cb 0.33 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 3knh n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knh n LYS 55 N 0.46 3.18 -3.04 5.56 5.02 -1.16 -4.20 118.16 123.98 3knh n LYS 55 Ca 0.38 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.36 3knh n LYS 55 Cb 0.58 -0.57 -0.04 0.00 -0.02 0.00 0.00 35.03 34.98 3knh n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knh n GLY 56 N 0.99 5.43 3.30 0.72 0.00 -1.16 -3.11 105.19 111.36 3knh n GLY 56 Ca 0.00 -2.75 -0.30 0.00 0.00 0.00 0.00 46.02 42.97 3knh n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3knh s THR 57 N -3.73 1.99 0.18 2.61 2.01 -1.26 -4.77 115.64 112.67 3knh s THR 57 Ca 0.43 -1.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 3knh s THR 57 Cb 0.21 -1.66 0.10 0.00 0.01 0.00 0.00 72.50 71.16 3knh s THR 57 CO -0.08 0.51 1.70 1.55 -0.69 0.00 0.00 174.62 177.61 3knh h PRO 58 N 5.36 0.15 -0.59 4.92 0.13 -1.74 0.47 132.00 140.70 3knh h PRO 58 Ca -0.43 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 3knh h PRO 58 Cb 1.13 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3knh h PRO 58 CO 0.46 0.10 0.13 -0.92 -0.23 0.00 0.00 178.00 177.54 3knh h TYR 59 N 0.16 1.01 -0.31 1.56 3.20 -1.96 -2.56 116.97 118.06 3knh h TYR 59 Ca 0.23 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3knh h TYR 59 Cb 0.33 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3knh h TYR 59 CO -0.26 0.86 0.09 0.00 -1.64 0.00 0.00 178.16 177.21 3knh h ALA 60 N 1.03 0.35 -0.39 1.82 0.00 -1.56 0.17 119.26 120.68 3knh h ALA 60 Ca 0.18 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3knh h ALA 60 Cb 0.37 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3knh h ALA 60 CO 0.01 -0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.10 3knh h ALA 61 N 1.21 0.51 -1.52 0.00 0.00 -0.97 0.84 119.26 119.33 3knh h ALA 61 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3knh h ALA 61 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3knh h ALA 61 CO -0.17 0.11 0.00 0.94 0.00 0.00 0.00 179.25 180.13 3knh n GLN 62 N -4.66 0.00 -0.52 0.00 7.27 -0.88 0.69 117.38 119.28 3knh n GLN 62 Ca -0.00 0.46 0.43 0.00 0.07 0.00 0.00 57.00 57.95 3knh n GLN 62 Cb 0.14 -1.25 0.73 0.00 2.41 0.00 0.00 30.24 32.28 3knh n GLN 62 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3knh h LEU 63 N 0.00 0.11 0.04 1.69 6.46 -0.62 -0.39 115.31 122.61 3knh h LEU 63 Ca 0.00 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3knh h LEU 63 Cb 0.00 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 3knh h LEU 63 CO 0.00 -0.07 -0.02 0.00 -0.62 0.00 0.00 178.44 177.73 3knh h ALA 64 N 1.34 -0.97 -0.82 1.25 0.00 0.44 -3.13 119.26 117.36 3knh h ALA 64 Ca 0.82 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.80 3knh h ALA 64 Cb 2.97 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 20.67 3knh h ALA 64 CO -0.19 -0.97 -0.57 0.00 0.00 0.00 0.00 179.25 177.53 3knh h ALA 65 N -1.97 -0.57 -0.42 0.00 0.00 0.20 -2.04 119.26 114.46 3knh h ALA 65 Ca -0.01 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3knh h ALA 65 Cb 0.04 1.28 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3knh h ALA 65 CO 0.01 -0.97 -0.25 1.28 0.00 0.00 0.00 179.25 179.32 3knh n LEU 66 N -5.30 -0.44 -0.35 0.00 4.77 -1.05 0.63 117.00 115.26 3knh n LEU 66 Ca 0.01 1.16 0.05 0.00 -0.03 0.00 0.00 56.01 57.19 3knh n LEU 66 Cb 0.29 -0.30 0.12 0.00 -2.33 0.00 0.00 43.42 41.20 3knh n LEU 66 CO -0.11 -0.81 0.66 -0.78 -1.33 0.00 0.00 177.39 175.02 3knh h ASP 67 N 0.00 -0.97 -0.83 -1.43 -0.00 -1.31 1.90 116.42 113.79 3knh h ASP 67 Ca 0.07 0.29 0.03 0.00 -0.00 0.00 0.00 57.03 57.42 3knh h ASP 67 Cb 0.17 0.62 -0.05 0.00 -0.00 0.00 0.00 39.33 40.08 3knh h ASP 67 CO -0.39 -0.32 0.54 0.00 -0.00 0.00 0.00 179.24 179.07 3knh h ALA 68 N 1.89 1.48 0.33 -0.78 0.00 0.37 -2.02 119.26 120.52 3knh h ALA 68 Ca 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3knh h ALA 68 Cb 0.70 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3knh h ALA 68 CO -1.00 0.45 -0.16 0.00 0.00 0.00 0.00 179.25 178.55 3knh h ALA 69 N 1.51 -0.44 -0.96 0.00 0.00 0.56 -2.86 119.26 117.07 3knh h ALA 69 Ca 0.32 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.21 3knh h ALA 69 Cb 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 17.82 3knh h ALA 69 CO -0.09 -0.66 -0.44 1.17 0.00 0.00 0.00 179.25 179.23 3knh n LYS 70 N -5.21 -0.29 0.06 0.00 4.81 0.36 -0.84 118.16 117.05 3knh n LYS 70 Ca -0.10 1.47 -0.11 0.00 -0.87 0.00 0.00 58.31 58.70 3knh n LYS 70 Cb 0.24 -2.18 -0.05 0.00 0.02 0.00 0.00 35.03 33.07 3knh n LYS 70 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3knh h LYS 71 N 0.00 -0.31 -0.27 1.64 1.57 -1.44 -2.55 116.57 115.21 3knh h LYS 71 Ca 0.27 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 3knh h LYS 71 Cb 0.51 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 3knh h LYS 71 CO -0.94 -0.21 -0.47 0.00 -0.57 0.00 0.00 179.45 177.27 3knh h ALA 72 N 0.57 -0.75 0.00 3.86 0.00 -0.75 0.16 119.26 122.35 3knh h ALA 72 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3knh h ALA 72 Cb 0.39 1.03 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3knh h ALA 72 CO -0.18 -0.96 0.21 0.52 0.00 0.00 0.00 179.25 178.85 3knh h MET 73 N -0.39 0.00 0.00 0.00 2.86 -1.18 1.45 114.93 117.67 3knh h MET 73 Ca 0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3knh h MET 73 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 3knh h MET 73 CO -0.46 0.00 -0.05 0.00 1.06 0.00 0.00 176.91 177.46 3knh h ALA 74 N 1.50 0.98 -0.46 6.32 0.00 -0.25 -2.58 119.26 124.76 3knh h ALA 74 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3knh h ALA 74 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3knh h ALA 74 CO 0.00 0.06 0.00 0.66 0.00 0.00 0.00 179.25 179.97 3knh n TYR 75 N -3.12 1.66 0.00 0.00 4.02 0.49 -4.99 117.16 115.22 3knh n TYR 75 Ca 0.03 -0.78 0.00 0.00 -0.01 0.00 0.00 57.90 57.14 3knh n TYR 75 Cb 0.48 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 3knh n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knh n GLY 76 N 0.23 2.64 0.00 2.72 0.00 -0.97 -3.20 105.19 106.60 3knh n GLY 76 Ca 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3knh n GLY 76 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3knh n MET 77 N 0.00 0.00 0.06 1.61 0.00 -0.41 -4.77 117.12 113.61 3knh n MET 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3knh n MET 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3knh n MET 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3knh n GLN 78 N 0.00 0.00 -3.94 2.12 1.13 -1.12 -4.60 117.38 110.98 3knh n GLN 78 Ca 0.00 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 3knh n GLN 78 Cb 0.00 -0.29 -0.05 0.00 0.11 0.00 0.00 30.24 30.01 3knh n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3knh s SER 79 N -5.36 6.26 -0.20 1.08 1.04 -1.25 -3.09 113.70 112.18 3knh s SER 79 Ca 0.00 0.27 -0.14 0.00 0.48 0.00 0.00 55.95 56.56 3knh s SER 79 Cb 0.00 -1.92 0.06 0.00 0.10 0.00 0.00 66.02 64.26 3knh s SER 79 CO 0.00 0.21 0.51 0.68 0.98 0.00 0.00 173.24 175.62 3knh s VAL 80 N -1.41 -0.01 -0.19 5.02 -7.23 -1.23 -2.03 120.40 113.31 3knh s VAL 80 Ca 0.31 0.04 -0.15 0.00 -1.81 0.00 0.00 61.98 60.37 3knh s VAL 80 Cb -0.13 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 3knh s VAL 80 CO 0.23 0.02 0.34 -1.81 -0.31 0.00 0.00 175.10 173.57 3knh s ASP 81 N 1.12 6.41 -0.26 4.85 1.11 -1.26 -2.20 116.67 126.45 3knh s ASP 81 Ca -0.07 0.48 -0.16 0.00 0.18 0.00 0.00 52.55 52.98 3knh s ASP 81 Cb -0.06 -2.21 -0.03 0.00 1.07 0.00 0.00 42.92 41.69 3knh s ASP 81 CO -0.10 -0.00 0.42 -0.69 1.18 0.00 0.00 175.17 175.97 3knh s VAL 82 N 0.99 5.14 -0.28 -1.27 1.01 0.18 -2.01 120.40 124.16 3knh s VAL 82 Ca 0.17 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.84 3knh s VAL 82 Cb -0.14 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.55 3knh s VAL 82 CO 0.06 0.14 -0.06 -0.63 0.00 0.00 0.00 175.10 174.62 3knh s ILE 83 N 2.09 2.52 0.61 2.22 1.01 -0.62 -1.18 121.20 127.85 3knh s ILE 83 Ca 0.17 -1.56 0.08 0.00 0.00 0.00 0.00 60.65 59.34 3knh s ILE 83 Cb -0.16 -2.48 0.10 0.00 0.01 0.00 0.00 42.46 39.93 3knh s ILE 83 CO 0.09 -0.08 0.85 0.68 0.00 0.00 0.00 174.94 176.48 3knh s VAL 84 N 1.16 2.08 -0.25 2.92 -7.23 -1.24 -0.12 120.40 117.71 3knh s VAL 84 Ca -0.07 -0.93 -0.02 0.00 -1.81 0.00 0.00 61.98 59.15 3knh s VAL 84 Cb -0.20 -2.15 0.12 0.00 0.56 0.00 0.00 36.38 34.71 3knh s VAL 84 CO -0.03 0.00 0.28 -0.13 -0.31 0.00 0.00 175.10 174.90 3knh s ARG 85 N -4.78 0.28 0.00 4.82 1.81 0.32 -2.95 118.95 118.45 3knh s ARG 85 Ca 0.63 0.08 0.00 0.00 -1.72 0.00 0.00 55.73 54.72 3knh s ARG 85 Cb -0.05 -0.85 0.00 0.00 -0.45 0.00 0.00 34.95 33.60 3knh s ARG 85 CO 0.40 -0.83 0.00 0.41 -0.68 0.00 0.00 175.30 174.60 3knh n GLY 86 N 5.32 0.00 0.03 -3.53 0.00 -1.26 -2.88 105.19 102.87 3knh n GLY 86 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 3knh n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3knh n THR 87 N -0.45 0.00 -3.30 2.61 -1.04 -1.26 -4.32 114.28 106.52 3knh n THR 87 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 3knh n THR 87 Cb 0.18 -0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.64 3knh n THR 87 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3knh s GLY 88 N 0.01 0.31 0.00 3.41 0.00 -1.25 -4.33 107.32 105.46 3knh s GLY 88 Ca 0.01 3.64 0.00 0.00 0.00 0.00 0.00 44.72 48.37 3knh s GLY 88 CO 0.01 3.24 0.00 0.00 0.00 0.00 0.00 173.10 176.35 3knh n ALA 89 N 4.29 0.86 -1.51 3.20 0.00 -1.26 0.70 120.51 126.78 3knh n ALA 89 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3knh n ALA 89 Cb 0.55 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3knh n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knh n GLY 90 N 0.25 0.69 0.13 0.00 0.00 -1.26 -1.90 105.19 103.11 3knh n GLY 90 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3knh n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3knh h ARG 91 N 0.00 -0.32 0.00 1.61 1.12 -0.08 -0.56 114.38 116.15 3knh h ARG 91 Ca 0.00 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 3knh h ARG 91 Cb 0.58 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 3knh h ARG 91 CO 0.00 -0.21 0.05 -1.91 -3.11 0.00 0.00 179.97 174.79 3knh n GLU 92 N -2.95 0.00 -0.06 0.20 4.07 -1.26 -1.56 120.64 119.08 3knh n GLU 92 Ca -0.04 0.35 -0.06 0.00 -0.06 0.00 0.00 57.16 57.34 3knh n GLU 92 Cb 0.13 -1.55 -0.10 0.00 -0.06 0.00 0.00 31.44 29.87 3knh n GLU 92 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3knh n GLN 93 N -1.33 1.87 0.26 5.31 1.13 -1.16 -3.62 117.38 119.84 3knh n GLN 93 Ca 0.00 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.19 3knh n GLN 93 Cb 0.05 -1.32 0.69 0.00 0.11 0.00 0.00 30.24 29.78 3knh n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3knh h ALA 94 N 0.57 1.18 0.00 -1.58 0.00 -0.05 0.11 119.26 119.50 3knh h ALA 94 Ca -0.34 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3knh h ALA 94 Cb 1.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3knh h ALA 94 CO 0.01 0.16 -0.04 0.82 0.00 0.00 0.00 179.25 180.20 3knh h ILE 95 N 0.00 0.00 -1.22 0.00 1.08 -1.66 -3.23 117.51 112.47 3knh h ILE 95 Ca -0.00 -0.23 0.41 0.00 -0.39 0.00 0.00 64.86 64.65 3knh h ILE 95 Cb 0.42 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.04 3knh h ILE 95 CO 0.02 0.00 0.76 0.03 -0.69 0.00 0.00 178.15 178.26 3knh h ARG 96 N -0.23 0.11 -0.20 2.37 3.08 -1.61 1.67 114.38 119.56 3knh h ARG 96 Ca 0.00 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.10 3knh h ARG 96 Cb 0.04 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 3knh h ARG 96 CO 0.00 0.07 -0.29 0.00 -1.07 0.00 0.00 179.97 178.68 3knh h ALA 97 N 1.70 -0.26 -0.02 0.04 0.00 -0.88 0.32 119.26 120.16 3knh h ALA 97 Ca 0.81 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.72 3knh h ALA 97 Cb 2.38 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 20.73 3knh h ALA 97 CO -0.50 -0.74 -0.21 -0.07 0.00 0.00 0.00 179.25 177.73 3knh h LEU 98 N -0.32 0.03 -0.41 0.00 3.38 0.24 -1.91 115.31 116.32 3knh h LEU 98 Ca 0.12 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3knh h LEU 98 Cb 0.51 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 3knh h LEU 98 CO -0.38 0.25 -0.30 1.56 0.09 0.00 0.00 178.44 179.66 3knh h GLN 99 N 0.03 -0.22 -3.90 1.13 1.08 0.52 -2.80 115.11 110.95 3knh h GLN 99 Ca 0.00 0.01 -0.77 0.00 -1.45 0.00 0.00 58.65 56.45 3knh h GLN 99 Cb 0.40 0.05 -0.26 0.00 -0.05 0.00 0.00 27.48 27.61 3knh h GLN 99 CO 0.03 -0.14 -0.03 0.00 -0.95 0.00 0.00 178.83 177.73 3knh s ALA 100 N -6.03 3.91 0.00 3.87 0.00 -0.72 -4.66 121.76 118.14 3knh s ALA 100 Ca -0.15 -3.09 0.00 0.00 0.00 0.00 0.00 51.96 48.73 3knh s ALA 100 Cb 0.14 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3knh s ALA 100 CO 0.68 -2.18 0.27 -1.13 0.00 0.00 0.00 175.76 173.40 3knh n SER 101 N 4.30 0.00 -0.10 0.00 3.41 -1.06 -4.78 113.62 115.40 3knh n SER 101 Ca 0.05 -1.07 -0.01 0.00 -0.26 0.00 0.00 58.87 57.58 3knh n SER 101 Cb 0.44 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 3knh n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knh n GLY 102 N 0.00 0.42 3.11 5.00 0.00 -1.26 -4.92 105.19 107.55 3knh n GLY 102 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3knh n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3knh s LEU 103 N -0.30 3.13 0.25 0.99 1.98 -1.26 -5.04 118.68 118.43 3knh s LEU 103 Ca 0.00 -1.11 -0.30 0.00 -2.89 0.00 0.00 54.13 49.82 3knh s LEU 103 Cb 0.00 -1.57 -0.11 0.00 0.66 0.00 0.00 46.19 45.17 3knh s LEU 103 CO 0.00 -0.14 1.55 -1.58 -1.89 0.00 0.00 176.35 174.29 3knh s GLN 104 N 1.20 4.18 -0.27 1.98 -0.44 -1.18 -4.81 119.66 120.33 3knh s GLN 104 Ca -0.04 2.46 -0.04 0.00 -2.50 0.00 0.00 55.36 55.24 3knh s GLN 104 Cb -0.18 -3.08 0.02 0.00 -1.64 0.00 0.00 33.01 28.13 3knh s GLN 104 CO -0.06 -0.57 0.00 0.14 0.50 0.00 0.00 175.29 175.30 3knh s VAL 105 N 0.29 3.40 0.00 1.34 -7.23 -1.26 -3.54 120.40 113.40 3knh s VAL 105 Ca 0.64 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 3knh s VAL 105 Cb -0.45 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 33.75 3knh s VAL 105 CO 0.42 0.16 0.59 0.29 -0.31 0.00 0.00 175.10 176.25 3knh n LYS 106 N 4.76 0.00 -4.14 4.82 4.01 -0.93 -4.99 118.16 121.69 3knh n LYS 106 Ca -0.16 0.09 -0.14 0.00 -0.51 0.00 0.00 58.31 57.60 3knh n LYS 106 Cb 0.48 -1.09 -0.07 0.00 -0.51 0.00 0.00 35.03 33.84 3knh n LYS 106 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3knh s SER 107 N -2.02 0.62 0.15 4.39 0.15 -1.26 -5.00 113.70 110.73 3knh s SER 107 Ca 0.00 -1.40 0.10 0.00 0.70 0.00 0.00 55.95 55.35 3knh s SER 107 Cb 0.00 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 3knh s SER 107 CO 0.00 -1.08 -0.23 -0.63 1.20 0.00 0.00 173.24 172.50 3knh s ILE 108 N -3.66 2.07 0.08 6.45 1.01 -1.26 0.48 121.20 126.38 3knh s ILE 108 Ca 0.33 -1.82 0.00 0.00 0.00 0.00 0.00 60.65 59.16 3knh s ILE 108 Cb 0.02 -1.90 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 3knh s ILE 108 CO 0.17 -0.09 0.11 0.52 0.00 0.00 0.00 174.94 175.65 3knh n VAL 109 N 0.64 0.00 -2.91 2.92 0.31 -0.33 -4.95 118.33 114.00 3knh n VAL 109 Ca -0.16 -0.48 -0.13 0.00 -0.01 0.00 0.00 64.34 63.56 3knh n VAL 109 Cb 0.55 0.28 0.02 0.00 -0.91 0.00 0.00 33.84 33.77 3knh n VAL 109 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3knh n ASP 110 N -2.19 -1.53 -2.41 4.52 2.03 -1.26 -3.59 116.55 112.11 3knh n ASP 110 Ca 0.01 -3.21 -0.10 0.00 0.52 0.00 0.00 54.79 52.01 3knh n ASP 110 Cb 0.14 0.93 -0.08 0.00 -0.72 0.00 0.00 41.12 41.39 3knh n ASP 110 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3knh n ASP 111 N 1.12 3.39 -4.71 1.67 4.64 -1.15 -4.87 116.55 116.64 3knh n ASP 111 Ca 0.13 -2.11 -0.42 0.00 -1.38 0.00 0.00 54.79 51.01 3knh n ASP 111 Cb 0.63 -0.87 -0.03 0.00 -1.04 0.00 0.00 41.12 39.81 3knh n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3knh s THR 112 N 2.17 4.40 0.47 5.18 2.01 -1.26 -4.83 115.64 123.78 3knh s THR 112 Ca 0.39 1.72 -0.23 0.00 0.31 0.00 0.00 61.69 63.88 3knh s THR 112 Cb 0.17 -4.11 -0.07 0.00 0.01 0.00 0.00 72.50 68.50 3knh s THR 112 CO -0.01 0.11 1.21 -2.16 -0.69 0.00 0.00 174.62 173.08 3knh s PRO 113 N 1.23 3.66 -0.40 4.92 0.04 -1.26 -4.96 135.00 138.23 3knh s PRO 113 Ca 0.55 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.48 3knh s PRO 113 Cb -0.25 -2.41 0.19 0.00 0.04 0.00 0.00 34.50 32.07 3knh s PRO 113 CO 0.27 -0.66 0.84 0.54 0.04 0.00 0.00 177.00 178.04 3knh s VAL 114 N -1.48 -0.66 0.81 -0.36 0.11 -1.26 -5.02 120.40 112.54 3knh s VAL 114 Ca 0.64 -0.27 -0.13 0.00 -2.93 0.00 0.00 61.98 59.30 3knh s VAL 114 Cb -0.31 0.00 0.08 0.00 -1.53 0.00 0.00 36.38 34.62 3knh s VAL 114 CO 0.38 0.00 1.19 -0.81 -3.33 0.00 0.00 175.10 172.53 3knh n PRO 115 N 3.57 0.15 -1.07 1.54 -0.04 -1.26 -4.87 135.00 133.02 3knh n PRO 115 Ca 0.11 0.13 -0.16 0.00 -0.04 0.00 0.00 63.50 63.54 3knh n PRO 115 Cb 0.60 -2.42 -0.15 0.00 -0.04 0.00 0.00 33.50 31.49 3knh n PRO 115 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3knh n HIS 116 N -3.34 0.39 -2.84 0.54 8.25 -1.26 -4.56 115.22 112.40 3knh n HIS 116 Ca 0.13 -1.72 -0.12 0.00 -0.26 0.00 0.00 57.72 55.76 3knh n HIS 116 Cb 0.50 -1.70 0.05 0.00 1.12 0.00 0.00 29.99 29.97 3knh n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3knh n ASN 117 N 2.54 -5.48 0.00 0.41 5.03 -1.26 -5.05 115.26 111.45 3knh n ASN 117 Ca 0.48 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 55.39 3knh n ASN 117 Cb 0.81 -4.11 0.00 0.00 -1.02 0.00 0.00 39.78 35.47 3knh n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3knh n GLY 118 N -1.29 1.18 3.62 7.41 0.00 -1.26 -4.97 105.19 109.87 3knh n GLY 118 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3knh n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knh s ARG 120 N -2.80 4.09 0.84 0.00 3.52 -1.26 -5.05 118.95 118.30 3knh s ARG 120 Ca 0.76 1.30 -0.11 0.00 -0.13 0.00 0.00 55.73 57.55 3knh s ARG 120 Cb -0.41 -2.27 0.12 0.00 -1.56 0.00 0.00 34.95 30.83 3knh s ARG 120 CO 0.46 -0.17 1.18 -2.14 -0.81 0.00 0.00 175.30 173.83 3knh s PRO 121 N -2.97 1.49 0.77 5.12 0.02 -1.26 -5.08 135.00 133.09 3knh s PRO 121 Ca 0.62 -0.26 -0.11 0.00 0.02 0.00 0.00 61.00 61.27 3knh s PRO 121 Cb -0.15 -1.99 0.05 0.00 0.02 0.00 0.00 34.50 32.43 3knh s PRO 121 CO 0.19 -1.82 1.08 0.15 -0.33 0.00 0.00 177.00 176.28 3knh s LYS 122 N -5.59 2.35 0.29 5.54 1.02 -1.26 -4.86 119.74 117.23 3knh s LYS 122 Ca 0.66 0.81 0.03 0.00 0.02 0.00 0.00 55.97 57.49 3knh s LYS 122 Cb -0.08 -1.93 0.74 0.00 -0.52 0.00 0.00 37.83 36.04 3knh s LYS 122 CO 0.49 -1.48 1.64 -0.22 -0.92 0.00 0.00 175.35 174.86 3knh h LYS 123 N -0.99 0.18 0.00 1.68 3.64 -1.99 -2.76 116.57 116.33 3knh h LYS 123 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3knh h LYS 123 Cb 1.25 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3knh h LYS 123 CO 0.57 0.12 0.00 1.63 -2.27 0.00 0.00 179.45 179.50 3knh n LYS 124 N -5.25 0.00 0.00 1.90 5.02 -1.26 -1.29 118.16 117.28 3knh n LYS 124 Ca 0.22 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3knh n LYS 124 Cb 0.71 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 3knh n LYS 124 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3knh n PHE 125 N -0.79 0.00 0.40 2.13 3.01 -1.10 -2.97 117.46 118.14 3knh n PHE 125 Ca 0.00 -0.02 0.11 0.00 1.01 0.00 0.00 57.45 58.56 3knh n PHE 125 Cb 0.00 -0.05 0.03 0.00 -0.01 0.00 0.00 39.48 39.45 3knh n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3knh n ARG 126 N 0.33 0.40 0.00 -1.08 1.74 -0.41 -3.67 116.66 113.98 3knh n ARG 126 Ca 0.00 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.15 3knh n ARG 126 Cb 0.11 -1.67 0.21 0.00 -1.02 0.00 0.00 32.46 30.09 3knh n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knh n LYS 127 N -2.20 0.24 -3.51 5.56 4.76 -1.16 -3.19 118.16 118.66 3knh n LYS 127 Ca 0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 3knh n LYS 127 Cb 0.48 -1.45 -0.07 0.00 -1.84 0.00 0.00 35.03 32.15 3knh n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3knh s ALA 128 N -2.00 3.62 0.00 7.82 0.00 -1.24 -5.23 121.76 124.73 3knh s ALA 128 Ca 0.10 -2.87 0.00 0.00 0.00 0.00 0.00 51.96 49.19 3knh s ALA 128 Cb 0.05 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3knh s ALA 128 CO 0.08 -2.04 0.26 0.45 0.00 0.00 0.00 175.76 174.50