#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz s ILE 2 N 0.00 4.23 0.29 3.17 -1.09 0.58 -4.73 121.20 123.65 3huz s ILE 2 Ca 0.00 0.88 0.08 0.00 -2.23 0.00 0.00 60.65 59.39 3huz s ILE 2 Cb 0.00 -4.60 -0.04 0.00 -1.58 0.00 0.00 42.46 36.24 3huz s ILE 2 CO 0.00 -1.09 0.12 0.00 -1.23 0.00 0.00 174.94 172.74 3huz s GLN 3 N 4.38 2.55 0.16 2.79 -2.07 -1.26 -1.53 119.66 124.68 3huz s GLN 3 Ca 0.42 -1.33 -0.34 0.00 -1.82 0.00 0.00 55.36 52.28 3huz s GLN 3 Cb -0.09 -2.32 -0.14 0.00 -1.09 0.00 0.00 33.01 29.37 3huz s GLN 3 CO 0.27 0.28 1.48 -0.35 -1.32 0.00 0.00 175.29 175.65 3huz n PRO 4 N -1.10 1.88 0.00 9.60 -0.04 -1.26 -2.08 135.00 142.00 3huz n PRO 4 Ca -0.05 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 3huz n PRO 4 Cb 0.59 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3huz n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3huz n GLN 5 N 2.94 0.00 -3.05 0.54 -0.06 0.41 -4.97 117.38 113.19 3huz n GLN 5 Ca 0.16 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.77 3huz n GLN 5 Cb 0.27 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.39 3huz n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3huz s THR 6 N -2.00 4.63 -0.02 1.69 2.01 -0.89 -4.74 115.64 116.33 3huz s THR 6 Ca 0.00 1.55 -0.20 0.00 0.31 0.00 0.00 61.69 63.36 3huz s THR 6 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 3huz s THR 6 CO 0.00 0.45 0.56 -0.31 -0.69 0.00 0.00 174.62 174.63 3huz s TYR 7 N -0.57 3.67 -0.07 4.92 1.51 -1.26 0.91 117.35 126.46 3huz s TYR 7 Ca 0.35 1.14 0.04 0.00 -1.01 0.00 0.00 57.07 57.59 3huz s TYR 7 Cb -0.21 -2.57 0.00 0.00 -0.11 0.00 0.00 41.96 39.08 3huz s TYR 7 CO 0.23 0.36 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.35 3huz s LEU 8 N -0.20 1.87 0.27 -1.29 1.43 0.21 -4.82 118.68 116.15 3huz s LEU 8 Ca 0.30 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 3huz s LEU 8 Cb -0.18 -1.05 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 3huz s LEU 8 CO 0.16 0.12 1.20 -0.70 0.23 0.00 0.00 176.35 177.36 3huz s GLU 9 N 0.32 4.51 0.78 1.70 2.56 -0.37 -1.31 118.70 126.88 3huz s GLU 9 Ca -0.11 1.96 -0.12 0.00 0.00 0.00 0.00 54.97 56.70 3huz s GLU 9 Cb -0.15 -3.17 0.06 0.00 2.00 0.00 0.00 34.13 32.88 3huz s GLU 9 CO 0.05 -0.01 1.13 0.14 -0.56 0.00 0.00 175.26 176.01 3huz s VAL 10 N -0.81 2.68 -0.30 3.70 -7.23 -0.76 -1.48 120.40 116.20 3huz s VAL 10 Ca 0.49 0.22 0.12 0.00 -1.81 0.00 0.00 61.98 60.99 3huz s VAL 10 Cb -0.35 -3.16 0.47 0.00 0.56 0.00 0.00 36.38 33.91 3huz s VAL 10 CO 0.43 -0.29 1.15 0.00 -0.31 0.00 0.00 175.10 176.08 3huz n ALA 11 N -3.27 4.28 -3.76 1.32 0.00 0.36 -4.69 120.51 114.75 3huz n ALA 11 Ca 0.07 -3.53 0.14 0.00 0.00 0.00 0.00 53.44 50.13 3huz n ALA 11 Cb 0.59 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 19.52 3huz n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3huz n ASP 12 N -0.62 -0.79 -0.13 0.00 3.85 -1.26 -1.56 116.55 116.04 3huz n ASP 12 Ca 0.32 -1.07 0.00 0.00 -0.71 0.00 0.00 54.79 53.33 3huz n ASP 12 Cb 0.88 1.20 0.00 0.00 -1.35 0.00 0.00 41.12 41.85 3huz n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3huz n ASN 13 N -0.77 0.21 0.29 -1.12 0.23 -1.26 -3.68 115.26 109.16 3huz n ASN 13 Ca 0.04 -1.63 0.18 0.00 -0.53 0.00 0.00 54.58 52.65 3huz n ASN 13 Cb 0.42 -0.11 0.93 0.00 -2.08 0.00 0.00 39.78 38.95 3huz n ASN 13 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3huz h THR 14 N 0.00 0.15 0.00 5.53 2.02 -1.90 -3.45 112.91 115.26 3huz h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3huz h THR 14 Cb 0.11 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3huz h THR 14 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3huz n GLY 15 N -1.25 3.24 3.74 2.16 0.00 -1.24 -3.32 105.19 108.52 3huz n GLY 15 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3huz n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huz s ALA 16 N -2.73 2.21 0.00 4.61 0.00 -1.26 -0.45 121.76 124.14 3huz s ALA 16 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3huz s ALA 16 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3huz s ALA 16 CO 0.00 -1.72 0.00 -2.13 0.00 0.00 0.00 175.76 171.91 3huz n ARG 17 N -2.91 0.00 -3.60 0.00 3.00 -1.20 -4.74 116.66 107.22 3huz n ARG 17 Ca 0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.85 3huz n ARG 17 Cb 0.52 -0.51 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 3huz n ARG 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3huz s LYS 18 N -1.99 0.24 0.19 -0.14 1.02 -0.96 -1.82 119.74 116.29 3huz s LYS 18 Ca 0.00 0.76 0.07 0.00 0.02 0.00 0.00 55.97 56.82 3huz s LYS 18 Cb 0.00 -0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 3huz s LYS 18 CO 0.00 -0.36 0.02 0.96 -0.92 0.00 0.00 175.35 175.04 3huz s ILE 19 N 2.49 3.76 -0.15 2.17 -4.36 -0.43 -1.15 121.20 123.54 3huz s ILE 19 Ca 0.03 -1.47 0.02 0.00 -0.26 0.00 0.00 60.65 58.96 3huz s ILE 19 Cb -0.13 -2.92 0.00 0.00 1.25 0.00 0.00 42.46 40.67 3huz s ILE 19 CO -0.11 -0.16 -0.19 -0.32 0.24 0.00 0.00 174.94 174.40 3huz s MET 20 N -3.10 3.11 -0.15 0.37 -2.45 0.06 0.68 119.30 117.82 3huz s MET 20 Ca 0.28 -0.81 -0.31 0.00 -1.25 0.00 0.00 55.69 53.61 3huz s MET 20 Cb -0.09 -2.51 -0.08 0.00 1.25 0.00 0.00 34.83 33.40 3huz s MET 20 CO 0.19 0.01 2.10 0.00 1.05 0.00 0.00 175.02 178.36 3huz n ILE 22 N 6.65 0.98 0.00 0.00 2.08 0.18 0.16 119.36 129.41 3huz n ILE 22 Ca 0.28 -0.64 0.00 0.00 0.56 0.00 0.00 62.75 62.95 3huz n ILE 22 Cb 0.38 -0.60 0.00 0.00 -0.75 0.00 0.00 39.64 38.68 3huz n ILE 22 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3huz n ARG 23 N -2.81 0.00 -2.42 0.38 0.63 -1.03 -4.86 116.66 106.55 3huz n ARG 23 Ca -0.06 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.44 3huz n ARG 23 Cb 0.73 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.62 3huz n ARG 23 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3huz s VAL 24 N 0.00 4.13 -1.25 5.15 0.11 -1.26 -1.42 120.40 125.86 3huz s VAL 24 Ca 0.00 1.26 -0.17 0.00 -2.93 0.00 0.00 61.98 60.14 3huz s VAL 24 Cb 0.00 -4.17 0.10 0.00 -1.53 0.00 0.00 36.38 30.78 3huz s VAL 24 CO 0.00 -0.51 1.62 -0.76 -3.33 0.00 0.00 175.10 172.12 3huz s LEU 25 N 4.45 4.24 0.00 2.54 1.43 -0.37 -4.55 118.68 126.42 3huz s LEU 25 Ca 0.56 -2.58 0.00 0.00 -1.03 0.00 0.00 54.13 51.09 3huz s LEU 25 Cb -0.16 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3huz s LEU 25 CO 0.24 -1.05 0.00 1.17 0.23 0.00 0.00 176.35 176.94 3huz n LYS 26 N 7.49 0.00 0.00 1.70 4.81 -1.26 -4.33 118.16 126.57 3huz n LYS 26 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 3huz n LYS 26 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 3huz n LYS 26 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3huz n GLY 27 N 1.47 -0.46 0.02 3.14 0.00 -1.26 -4.95 105.19 103.14 3huz n GLY 27 Ca 0.00 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.49 3huz n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3huz n SER 28 N 0.00 0.60 -2.73 1.61 3.41 -1.26 -4.43 113.62 110.81 3huz n SER 28 Ca 0.00 -0.35 -0.02 0.00 -0.26 0.00 0.00 58.87 58.24 3huz n SER 28 Cb 0.00 1.00 0.09 0.00 -0.26 0.00 0.00 64.21 65.05 3huz n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3huz n ASN 29 N -1.89 -0.24 -4.74 4.04 0.23 -1.26 -5.13 115.26 106.27 3huz n ASN 29 Ca 0.02 -2.19 -0.41 0.00 -0.53 0.00 0.00 54.58 51.46 3huz n ASN 29 Cb 0.43 0.22 -0.03 0.00 -2.08 0.00 0.00 39.78 38.32 3huz n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3huz s ALA 30 N -1.48 3.52 0.00 -2.53 0.00 -1.26 -4.99 121.76 115.02 3huz s ALA 30 Ca 0.17 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3huz s ALA 30 Cb 0.40 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3huz s ALA 30 CO -0.09 -0.53 0.46 1.63 0.00 0.00 0.00 175.76 177.23 3huz n LYS 31 N 2.44 0.00 -3.83 0.00 4.76 -1.26 -4.83 118.16 115.44 3huz n LYS 31 Ca 0.05 0.29 -0.22 0.00 -2.87 0.00 0.00 58.31 55.57 3huz n LYS 31 Cb 0.43 -1.08 -0.04 0.00 -1.84 0.00 0.00 35.03 32.50 3huz n LYS 31 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3huz s TYR 32 N -1.50 2.82 -0.07 2.13 2.02 -1.26 -4.66 117.35 116.83 3huz s TYR 32 Ca 0.00 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 3huz s TYR 32 Cb 0.00 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.72 3huz s TYR 32 CO 0.00 0.15 -0.14 0.00 -1.57 0.00 0.00 175.55 173.99 3huz s ALA 33 N -2.37 1.37 0.00 3.71 0.00 -0.58 -4.90 121.76 118.98 3huz s ALA 33 Ca 0.42 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3huz s ALA 33 Cb -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3huz s ALA 33 CO 0.26 0.14 0.00 -2.37 0.00 0.00 0.00 175.76 173.79 3huz n THR 34 N 3.73 0.00 -1.49 0.00 5.66 -1.26 -0.31 114.28 120.61 3huz n THR 34 Ca -0.22 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.31 3huz n THR 34 Cb 0.52 -0.01 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 3huz n THR 34 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3huz n VAL 35 N -0.01 1.88 -0.46 1.08 0.31 -1.26 -0.89 118.33 118.99 3huz n VAL 35 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 3huz n VAL 35 Cb 0.00 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 3huz n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3huz n GLY 36 N 1.65 1.35 3.78 2.92 0.00 0.12 -4.88 105.19 110.13 3huz n GLY 36 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3huz n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3huz s ASP 37 N -3.03 6.64 0.23 1.61 1.01 -0.07 -4.84 116.67 118.22 3huz s ASP 37 Ca 0.00 0.76 -0.26 0.00 0.71 0.00 0.00 52.55 53.76 3huz s ASP 37 Cb 0.00 -2.23 -0.09 0.00 1.01 0.00 0.00 42.92 41.62 3huz s ASP 37 CO 0.00 0.19 0.85 -0.69 0.21 0.00 0.00 175.17 175.74 3huz s VAL 38 N -0.25 4.27 0.08 -1.27 1.01 -1.26 -2.08 120.40 120.90 3huz s VAL 38 Ca 0.21 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.99 3huz s VAL 38 Cb -0.15 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3huz s VAL 38 CO 0.09 0.40 -0.05 0.27 0.00 0.00 0.00 175.10 175.81 3huz s ILE 39 N -1.30 0.50 -0.17 2.22 -4.36 0.54 -1.24 121.20 117.39 3huz s ILE 39 Ca 0.41 -1.89 -0.07 0.00 -0.26 0.00 0.00 60.65 58.84 3huz s ILE 39 Cb -0.22 -1.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 3huz s ILE 39 CO 0.27 -0.90 0.06 -0.69 0.24 0.00 0.00 174.94 173.91 3huz s VAL 40 N -3.74 4.78 0.40 8.37 1.01 -0.51 -0.64 120.40 130.07 3huz s VAL 40 Ca 0.11 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3huz s VAL 40 Cb 0.06 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3huz s VAL 40 CO -0.06 0.48 0.12 0.00 0.00 0.00 0.00 175.10 175.63 3huz s ALA 41 N 0.21 2.86 0.01 5.51 0.00 0.33 0.51 121.76 131.19 3huz s ALA 41 Ca 0.04 -1.33 0.08 0.00 0.00 0.00 0.00 51.96 50.75 3huz s ALA 41 Cb -0.12 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 3huz s ALA 41 CO 0.00 -0.33 -0.25 0.45 0.00 0.00 0.00 175.76 175.64 3huz s SER 42 N -3.59 3.23 -0.03 0.00 0.15 -0.63 -2.00 113.70 110.83 3huz s SER 42 Ca 0.25 -0.49 -0.21 0.00 0.70 0.00 0.00 55.95 56.20 3huz s SER 42 Cb 0.03 -0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 63.92 3huz s SER 42 CO 0.14 0.29 0.61 -0.69 1.20 0.00 0.00 173.24 174.80 3huz s VAL 43 N -0.72 4.97 0.00 4.45 1.01 -0.94 -0.76 120.40 128.40 3huz s VAL 43 Ca 0.11 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.37 3huz s VAL 43 Cb -0.10 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3huz s VAL 43 CO 0.01 0.36 0.00 0.29 0.00 0.00 0.00 175.10 175.76 3huz n LYS 44 N 3.10 0.00 -1.78 2.72 4.76 -0.30 -2.66 118.16 123.99 3huz n LYS 44 Ca -0.05 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.97 3huz n LYS 44 Cb 0.51 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 3huz n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3huz s GLU 45 N 3.53 4.14 0.00 1.97 -1.05 -1.25 -4.41 118.70 121.63 3huz s GLU 45 Ca 0.00 2.56 0.00 0.00 -0.15 0.00 0.00 54.97 57.38 3huz s GLU 45 Cb 0.00 -3.07 0.00 0.00 -0.44 0.00 0.00 34.13 30.62 3huz s GLU 45 CO 0.00 -0.68 0.00 0.00 0.95 0.00 0.00 175.26 175.53 3huz n ALA 46 N 3.36 0.00 -2.68 -0.84 0.00 -1.26 -2.25 120.51 116.83 3huz n ALA 46 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 3huz n ALA 46 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 3huz n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3huz s ILE 47 N -1.15 3.93 0.00 0.00 1.09 0.40 -4.80 121.20 120.67 3huz s ILE 47 Ca 0.00 -1.15 0.00 0.00 -1.10 0.00 0.00 60.65 58.40 3huz s ILE 47 Cb 0.00 -2.92 0.00 0.00 -1.06 0.00 0.00 42.46 38.48 3huz s ILE 47 CO 0.00 0.03 0.00 -2.65 -0.10 0.00 0.00 174.94 172.22 3huz n PRO 48 N 0.28 0.00 -2.63 2.79 -0.02 -1.26 -4.10 135.00 130.05 3huz n PRO 48 Ca -0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.95 3huz n PRO 48 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.99 3huz n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3huz s ARG 49 N 0.00 4.21 0.01 -0.52 1.81 -1.26 -4.98 118.95 118.22 3huz s ARG 49 Ca 0.00 1.32 -0.28 0.00 -1.72 0.00 0.00 55.73 55.05 3huz s ARG 49 Cb 0.00 -3.67 0.08 0.00 -0.45 0.00 0.00 34.95 30.91 3huz s ARG 49 CO 0.00 -0.70 0.74 0.20 -0.68 0.00 0.00 175.30 174.86 3huz s GLY 50 N 1.38 -0.53 0.41 -3.53 0.00 -1.26 -4.97 107.32 98.83 3huz s GLY 50 Ca 0.45 1.10 0.16 0.00 0.00 0.00 0.00 44.72 46.43 3huz s GLY 50 CO 0.09 0.59 1.86 0.00 0.00 0.00 0.00 173.10 175.64 3huz h ALA 51 N 2.42 2.14 -4.13 3.20 0.00 -1.86 -3.41 119.26 117.62 3huz h ALA 51 Ca -0.27 0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.10 3huz h ALA 51 Cb 1.22 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 18.70 3huz h ALA 51 CO 0.36 -0.42 -0.83 0.54 0.00 0.00 0.00 179.25 178.89 3huz s VAL 52 N -5.47 1.51 0.34 0.00 0.11 -1.21 -5.10 120.40 110.59 3huz s VAL 52 Ca -0.08 -1.02 0.08 0.00 -2.93 0.00 0.00 61.98 58.03 3huz s VAL 52 Cb 0.23 -1.30 -0.07 0.00 -1.53 0.00 0.00 36.38 33.71 3huz s VAL 52 CO 0.78 0.25 -0.06 -0.54 -3.33 0.00 0.00 175.10 172.21 3huz s LYS 53 N -0.90 1.78 -0.08 1.54 3.01 -1.26 -4.51 119.74 119.33 3huz s LYS 53 Ca 0.07 -1.94 -0.34 0.00 -1.01 0.00 0.00 55.97 52.75 3huz s LYS 53 Cb -0.08 -1.52 -0.11 0.00 -1.01 0.00 0.00 37.83 35.10 3huz s LYS 53 CO 0.01 0.06 1.89 0.39 0.51 0.00 0.00 175.35 178.21 3huz n GLU 54 N -0.78 2.25 0.00 1.68 1.02 -1.26 -1.17 120.64 122.38 3huz n GLU 54 Ca -0.05 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 3huz n GLU 54 Cb 0.64 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3huz n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3huz n GLY 55 N 4.42 0.76 3.79 0.62 0.00 -1.09 -5.02 105.19 108.67 3huz n GLY 55 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3huz n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3huz s ASP 56 N -1.75 3.86 -0.35 1.61 -0.00 -0.31 -4.84 116.67 114.89 3huz s ASP 56 Ca 0.00 1.13 0.00 0.00 -0.00 0.00 0.00 52.55 53.68 3huz s ASP 56 Cb 0.00 -1.78 0.11 0.00 -0.00 0.00 0.00 42.92 41.25 3huz s ASP 56 CO 0.00 -2.35 0.14 -0.69 -0.00 0.00 0.00 175.17 172.27 3huz s VAL 57 N -3.20 0.97 0.22 -1.27 1.01 -1.26 -2.22 120.40 114.65 3huz s VAL 57 Ca 0.63 -1.72 0.09 0.00 0.00 0.00 0.00 61.98 60.98 3huz s VAL 57 Cb -0.15 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3huz s VAL 57 CO 0.54 -0.75 -0.06 0.68 0.00 0.00 0.00 175.10 175.51 3huz s VAL 58 N 1.26 3.28 -0.12 2.92 -7.23 -0.85 -4.91 120.40 114.75 3huz s VAL 58 Ca 0.12 -1.79 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 3huz s VAL 58 Cb -0.19 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 3huz s VAL 58 CO -0.17 -0.23 0.44 -0.54 -0.31 0.00 0.00 175.10 174.29 3huz s LYS 59 N -3.20 4.30 0.03 4.82 1.02 -1.26 -0.51 119.74 124.93 3huz s LYS 59 Ca 0.28 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.66 3huz s LYS 59 Cb -0.08 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 3huz s LYS 59 CO 0.17 0.21 -0.04 0.00 -0.92 0.00 0.00 175.35 174.77 3huz s ALA 60 N 0.48 0.24 -0.10 5.17 0.00 0.19 0.11 121.76 127.85 3huz s ALA 60 Ca 0.24 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 3huz s ALA 60 Cb -0.15 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3huz s ALA 60 CO 0.09 -0.15 0.04 0.54 0.00 0.00 0.00 175.76 176.28 3huz s VAL 61 N -1.67 4.66 -0.20 0.00 0.11 -0.56 -0.34 120.40 122.39 3huz s VAL 61 Ca -0.13 -0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 58.53 3huz s VAL 61 Cb -0.08 -2.99 -0.00 0.00 -1.53 0.00 0.00 36.38 31.78 3huz s VAL 61 CO -0.02 0.60 0.95 -0.69 -3.33 0.00 0.00 175.10 172.62 3huz s VAL 62 N -0.86 4.76 -0.05 2.04 1.01 -0.89 -2.03 120.40 124.38 3huz s VAL 62 Ca 0.13 1.86 0.14 0.00 0.00 0.00 0.00 61.98 64.12 3huz s VAL 62 Cb -0.12 -4.24 -0.21 0.00 0.00 0.00 0.00 36.38 31.81 3huz s VAL 62 CO 0.03 -0.09 0.25 1.33 0.00 0.00 0.00 175.10 176.61 3huz n VAL 63 N 5.10 0.26 -3.95 2.92 0.24 -0.94 0.10 118.33 122.07 3huz n VAL 63 Ca 0.09 -0.41 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 3huz n VAL 63 Cb 0.47 -0.06 -0.13 0.00 -1.47 0.00 0.00 33.84 32.65 3huz n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3huz s ARG 64 N -2.84 0.19 0.12 7.34 0.52 -1.17 -1.10 118.95 122.02 3huz s ARG 64 Ca -0.06 -0.32 -0.00 0.00 -0.52 0.00 0.00 55.73 54.82 3huz s ARG 64 Cb 0.08 0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 3huz s ARG 64 CO 0.60 -0.01 0.02 0.95 0.02 0.00 0.00 175.30 176.88 3huz s THR 65 N -0.73 0.25 -0.15 0.02 -4.23 -1.24 -2.56 115.64 106.99 3huz s THR 65 Ca -0.08 -1.90 0.19 0.00 -1.18 0.00 0.00 61.69 58.72 3huz s THR 65 Cb -0.05 -1.93 -0.12 0.00 1.34 0.00 0.00 72.50 71.74 3huz s THR 65 CO -0.00 -0.60 0.82 1.17 -0.54 0.00 0.00 174.62 175.47 3huz n LYS 66 N -0.07 0.62 -2.50 3.99 3.00 -1.26 -1.48 118.16 120.47 3huz n LYS 66 Ca -0.08 0.15 -0.42 0.00 -0.00 0.00 0.00 58.31 57.96 3huz n LYS 66 Cb 0.63 -1.78 -0.03 0.00 0.00 0.00 0.00 35.03 33.85 3huz n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3huz s LYS 67 N -3.07 4.37 0.15 1.64 2.47 -1.26 -4.59 119.74 119.46 3huz s LYS 67 Ca -0.03 1.63 -0.34 0.00 -1.56 0.00 0.00 55.97 55.67 3huz s LYS 67 Cb 0.09 -3.54 -0.14 0.00 -1.46 0.00 0.00 37.83 32.78 3huz s LYS 67 CO 0.81 -0.41 1.59 -0.85 0.16 0.00 0.00 175.35 176.65 3huz n GLU 68 N 5.07 2.16 -3.59 4.03 0.00 -1.26 -4.72 120.64 122.33 3huz n GLU 68 Ca 0.10 0.78 -0.36 0.00 0.00 0.00 0.00 57.16 57.68 3huz n GLU 68 Cb 0.47 -2.55 -0.06 0.00 0.00 0.00 0.00 31.44 29.30 3huz n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3huz s ILE 69 N 1.01 5.12 -0.22 3.84 1.01 0.30 -4.92 121.20 127.34 3huz s ILE 69 Ca 0.79 0.54 -0.05 0.00 0.00 0.00 0.00 60.65 61.93 3huz s ILE 69 Cb -0.68 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3huz s ILE 69 CO 0.38 0.42 -0.00 -0.54 0.00 0.00 0.00 174.94 175.19 3huz s LYS 70 N -1.55 3.52 0.12 2.79 1.02 -1.26 -1.16 119.74 123.21 3huz s LYS 70 Ca 0.28 -0.56 -0.12 0.00 0.02 0.00 0.00 55.97 55.59 3huz s LYS 70 Cb -0.15 -3.10 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 3huz s LYS 70 CO 0.15 -0.12 0.48 1.03 -0.92 0.00 0.00 175.35 175.97 3huz s ARG 71 N 1.35 3.87 0.00 1.68 1.81 -0.33 -4.96 118.95 122.36 3huz s ARG 71 Ca 0.04 0.34 0.01 0.00 -1.72 0.00 0.00 55.73 54.40 3huz s ARG 71 Cb -0.15 -2.95 0.03 0.00 -0.45 0.00 0.00 34.95 31.44 3huz s ARG 71 CO 0.00 0.51 0.74 -0.35 -0.68 0.00 0.00 175.30 175.51 3huz n PRO 72 N 0.80 0.01 -0.79 3.54 -0.04 -1.26 -0.95 135.00 136.30 3huz n PRO 72 Ca -0.06 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.68 3huz n PRO 72 Cb 0.52 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.86 3huz n PRO 72 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3huz n ASP 73 N -1.21 5.32 0.00 3.54 5.68 -1.26 -4.92 116.55 123.70 3huz n ASP 73 Ca 0.00 -2.76 0.00 0.00 -0.50 0.00 0.00 54.79 51.53 3huz n ASP 73 Cb 0.00 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.33 3huz n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3huz n GLY 74 N 0.77 2.82 3.88 6.12 0.00 -0.13 -5.02 105.19 113.64 3huz n GLY 74 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 3huz n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3huz s SER 75 N -2.35 3.01 -0.19 1.61 1.04 -1.24 -4.83 113.70 110.75 3huz s SER 75 Ca 0.00 0.39 -0.17 0.00 0.48 0.00 0.00 55.95 56.65 3huz s SER 75 Cb 0.00 -0.53 0.05 0.00 0.10 0.00 0.00 66.02 65.64 3huz s SER 75 CO 0.00 -2.81 0.50 0.00 0.98 0.00 0.00 173.24 171.91 3huz s ALA 76 N -3.73 -1.23 0.08 5.32 0.00 -1.26 -1.19 121.76 119.75 3huz s ALA 76 Ca 0.72 1.42 0.08 0.00 0.00 0.00 0.00 51.96 54.18 3huz s ALA 76 Cb -0.06 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 3huz s ALA 76 CO 0.53 -0.24 -0.16 -1.50 0.00 0.00 0.00 175.76 174.39 3huz s ILE 77 N 0.33 2.98 -0.28 0.00 1.10 -0.31 -4.91 121.20 120.11 3huz s ILE 77 Ca -0.01 -1.31 -0.08 0.00 -0.51 0.00 0.00 60.65 58.75 3huz s ILE 77 Cb -0.04 -2.33 0.13 0.00 0.15 0.00 0.00 42.46 40.38 3huz s ILE 77 CO -0.00 0.20 0.60 -0.60 -2.11 0.00 0.00 174.94 173.03 3huz s ARG 78 N -1.87 0.53 0.00 3.50 3.52 -1.26 0.11 118.95 123.48 3huz s ARG 78 Ca 0.17 1.30 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 3huz s ARG 78 Cb -0.11 0.71 0.00 0.00 -1.56 0.00 0.00 34.95 33.99 3huz s ARG 78 CO 0.09 -0.29 0.00 1.19 -0.81 0.00 0.00 175.30 175.48 3huz n PHE 79 N 5.44 -0.25 0.01 5.12 3.01 -0.55 -5.02 117.46 125.22 3huz n PHE 79 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3huz n PHE 79 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 3huz n PHE 79 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3huz n ASP 80 N -0.21 1.37 -3.53 4.37 9.92 -1.26 -4.61 116.55 122.60 3huz n ASP 80 Ca 0.00 -1.34 -0.12 0.00 -0.53 0.00 0.00 54.79 52.80 3huz n ASP 80 Cb 0.00 -0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.43 3huz n ASP 80 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3huz s ASP 81 N -0.36 -0.46 -0.67 -2.24 3.84 -1.26 -4.95 116.67 110.57 3huz s ASP 81 Ca 0.01 0.34 -0.18 0.00 -0.00 0.00 0.00 52.55 52.71 3huz s ASP 81 Cb 0.00 0.41 0.12 0.00 -1.38 0.00 0.00 42.92 42.08 3huz s ASP 81 CO 0.01 -0.54 0.77 0.20 -0.00 0.00 0.00 175.17 175.61 3huz s ASN 82 N -1.64 6.32 0.16 2.11 0.01 -1.26 -3.61 114.94 117.04 3huz s ASN 82 Ca -0.02 -1.68 0.06 0.00 -0.71 0.00 0.00 52.86 50.51 3huz s ASN 82 Cb -0.01 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 3huz s ASN 82 CO -0.00 -1.04 0.06 0.00 -1.51 0.00 0.00 177.10 174.61 3huz s ALA 83 N 2.37 3.37 0.23 0.60 0.00 -1.06 -1.24 121.76 126.02 3huz s ALA 83 Ca 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3huz s ALA 83 Cb -0.20 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3huz s ALA 83 CO 0.02 0.51 0.13 0.00 0.00 0.00 0.00 175.76 176.42 3huz s ALA 84 N -1.71 1.40 -0.09 0.00 0.00 -0.55 -2.20 121.76 118.60 3huz s ALA 84 Ca 0.29 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.51 3huz s ALA 84 Cb -0.10 1.28 0.01 0.00 0.00 0.00 0.00 23.12 24.31 3huz s ALA 84 CO 0.21 -0.55 -0.17 0.08 0.00 0.00 0.00 175.76 175.32 3huz s VAL 85 N -3.99 1.56 0.58 0.00 1.01 -0.86 -0.49 120.40 118.21 3huz s VAL 85 Ca 0.39 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 3huz s VAL 85 Cb 0.07 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3huz s VAL 85 CO 0.13 0.45 1.15 -0.63 0.00 0.00 0.00 175.10 176.20 3huz s ILE 86 N 0.61 3.02 0.31 2.22 1.09 -1.26 -1.50 121.20 125.69 3huz s ILE 86 Ca -0.15 0.61 0.07 0.00 -1.10 0.00 0.00 60.65 60.08 3huz s ILE 86 Cb -0.16 -3.21 -0.03 0.00 -1.06 0.00 0.00 42.46 38.00 3huz s ILE 86 CO 0.05 -0.17 0.25 -0.38 -0.10 0.00 0.00 174.94 174.59 3huz n ILE 87 N -1.57 0.00 -4.50 2.92 2.08 0.31 -2.26 119.36 116.33 3huz n ILE 87 Ca 0.12 -2.25 -0.22 0.00 0.56 0.00 0.00 62.75 60.97 3huz n ILE 87 Cb 0.51 1.10 -0.14 0.00 -0.75 0.00 0.00 39.64 40.36 3huz n ILE 87 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3huz s ASN 88 N -3.16 1.78 0.24 4.38 4.22 -1.02 -4.22 114.94 117.16 3huz s ASN 88 Ca 0.36 -0.40 0.11 0.00 -2.14 0.00 0.00 52.86 50.79 3huz s ASN 88 Cb 0.02 -0.15 0.38 0.00 1.28 0.00 0.00 41.25 42.78 3huz s ASN 88 CO 0.25 0.10 0.53 0.59 -2.04 0.00 0.00 177.10 176.53 3huz n ASN 89 N 2.17 0.00 -0.68 3.54 4.13 -1.26 0.22 115.26 123.38 3huz n ASN 89 Ca -0.17 0.31 0.08 0.00 1.68 0.00 0.00 54.58 56.49 3huz n ASN 89 Cb 0.55 -0.11 0.26 0.00 -1.54 0.00 0.00 39.78 38.93 3huz n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3huz n GLN 90 N -2.11 1.87 -0.22 3.52 3.00 -1.26 -4.93 117.38 117.25 3huz n GLN 90 Ca 0.10 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.76 3huz n GLN 90 Cb 0.63 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 29.52 3huz n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3huz n LEU 91 N 0.56 0.05 -4.78 1.08 4.77 0.59 -5.00 117.00 114.27 3huz n LEU 91 Ca 0.15 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.76 3huz n LEU 91 Cb 0.35 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3huz n LEU 91 CO 0.11 -0.02 0.77 -1.61 -1.33 0.00 0.00 177.39 175.31 3huz s GLU 92 N -0.05 3.95 -0.04 3.23 2.02 -1.25 -4.78 118.70 121.79 3huz s GLU 92 Ca 0.00 1.61 -0.30 0.00 0.02 0.00 0.00 54.97 56.30 3huz s GLU 92 Cb 0.00 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 3huz s GLU 92 CO 0.00 -0.35 1.07 -1.25 0.02 0.00 0.00 175.26 174.75 3huz s PRO 93 N -2.65 4.45 0.62 0.39 0.04 -1.26 -2.45 135.00 134.14 3huz s PRO 93 Ca 0.61 1.52 0.33 0.00 0.04 0.00 0.00 61.00 63.50 3huz s PRO 93 Cb -0.24 -3.49 1.87 0.00 0.04 0.00 0.00 34.50 32.68 3huz s PRO 93 CO 0.30 -0.25 2.17 0.00 0.04 0.00 0.00 177.00 179.26 3huz h ARG 94 N 7.03 0.00 -6.79 4.56 3.08 -1.72 -3.43 114.38 117.11 3huz h ARG 94 Ca -0.36 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.20 3huz h ARG 94 Cb 1.18 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.26 3huz h ARG 94 CO 0.82 0.00 -0.00 0.20 -1.07 0.00 0.00 179.97 179.92 3huz s GLY 95 N -4.03 1.46 0.00 0.04 0.00 -1.26 -4.89 107.32 98.65 3huz s GLY 95 Ca -0.05 -0.71 0.24 0.00 0.00 0.00 0.00 44.72 44.21 3huz s GLY 95 CO 0.48 -0.57 1.32 -1.30 0.00 0.00 0.00 173.10 173.03 3huz n THR 96 N -2.12 0.00 -4.04 0.90 -2.24 -1.26 -4.96 114.28 100.56 3huz n THR 96 Ca -0.01 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 3huz n THR 96 Cb 0.56 0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 3huz n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3huz s ARG 97 N -2.52 1.82 -0.29 -0.78 1.81 -1.26 -5.05 118.95 112.68 3huz s ARG 97 Ca 0.21 -1.58 0.03 0.00 -1.72 0.00 0.00 55.73 52.67 3huz s ARG 97 Cb 0.19 0.46 0.20 0.00 -0.45 0.00 0.00 34.95 35.34 3huz s ARG 97 CO 0.56 -0.76 0.61 0.54 -0.68 0.00 0.00 175.30 175.57 3huz s VAL 98 N -3.29 -0.96 0.63 3.52 0.11 -1.25 -4.18 120.40 114.97 3huz s VAL 98 Ca 0.27 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.24 3huz s VAL 98 Cb -0.01 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 3huz s VAL 98 CO 0.16 0.00 0.97 -0.36 -3.33 0.00 0.00 175.10 172.54 3huz s PHE 99 N 2.84 3.34 0.00 1.54 0.08 -0.60 -4.34 117.98 120.84 3huz s PHE 99 Ca 0.13 0.86 0.00 0.00 0.12 0.00 0.00 56.93 58.04 3huz s PHE 99 Cb -0.11 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.52 3huz s PHE 99 CO -0.24 -0.90 0.00 0.41 -0.10 0.00 0.00 175.22 174.39 3huz n GLY 100 N -2.73 -2.30 0.00 4.36 0.00 -1.26 -4.71 105.19 98.55 3huz n GLY 100 Ca 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3huz n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3huz n PRO 101 N -1.13 -1.12 -3.63 1.61 -0.02 -1.26 -4.53 135.00 124.92 3huz n PRO 101 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 3huz n PRO 101 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 3huz n PRO 101 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3huz s VAL 102 N -0.89 0.00 0.13 -1.45 -7.23 -1.03 -4.84 120.40 105.10 3huz s VAL 102 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.87 3huz s VAL 102 Cb 0.00 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.87 3huz s VAL 102 CO 0.00 0.00 1.24 0.00 -0.31 0.00 0.00 175.10 176.03 3huz s ALA 103 N 0.54 3.46 -1.25 1.32 0.00 -0.26 -2.41 121.76 123.16 3huz s ALA 103 Ca -0.01 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3huz s ALA 103 Cb -0.05 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3huz s ALA 103 CO -0.02 -0.45 0.70 2.89 0.00 0.00 0.00 175.76 178.88 3huz n ARG 104 N 3.22 0.00 0.27 0.00 1.85 0.31 -1.50 116.66 120.81 3huz n ARG 104 Ca 0.07 0.23 0.12 0.00 -1.00 0.00 0.00 57.85 57.27 3huz n ARG 104 Cb 0.45 -1.54 0.78 0.00 -1.05 0.00 0.00 32.46 31.10 3huz n ARG 104 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3huz h GLU 105 N 0.00 0.00 -0.48 2.89 3.07 -1.90 -0.85 114.58 117.31 3huz h GLU 105 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3huz h GLU 105 Cb 0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 3huz h GLU 105 CO 0.00 0.00 0.31 -0.07 -1.40 0.00 0.00 179.01 177.85 3huz h LEU 106 N 0.00 0.56 -0.49 1.33 3.38 -1.61 0.15 115.31 118.63 3huz h LEU 106 Ca 0.01 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3huz h LEU 106 Cb 0.04 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3huz h LEU 106 CO -0.00 0.41 0.14 -0.09 0.09 0.00 0.00 178.44 178.99 3huz h ARG 107 N 0.65 0.28 0.00 1.13 2.43 -1.33 -0.97 114.38 116.57 3huz h ARG 107 Ca 0.17 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3huz h ARG 107 Cb -0.06 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3huz h ARG 107 CO -0.04 0.19 0.00 0.93 -1.51 0.00 0.00 179.97 179.54 3huz h GLU 108 N 0.29 0.00 -0.33 0.20 5.08 -1.43 -3.05 114.58 115.34 3huz h GLU 108 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3huz h GLU 108 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3huz h GLU 108 CO -0.28 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.36 3huz n LYS 109 N -2.86 1.97 0.00 2.33 4.76 0.01 -4.96 118.16 119.42 3huz n LYS 109 Ca 0.03 -1.48 0.00 0.00 -2.87 0.00 0.00 58.31 53.99 3huz n LYS 109 Cb 0.41 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 3huz n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3huz n GLY 110 N 1.21 3.06 3.43 0.72 0.00 -0.95 -5.01 105.19 107.65 3huz n GLY 110 Ca 0.16 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 3huz n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3huz n PHE 111 N 0.00 0.38 -0.06 1.61 3.72 -1.08 -4.75 117.46 117.28 3huz n PHE 111 Ca 0.00 -0.02 -0.03 0.00 -0.05 0.00 0.00 57.45 57.35 3huz n PHE 111 Cb 0.00 -1.24 -0.02 0.00 -0.94 0.00 0.00 39.48 37.28 3huz n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3huz h MET 112 N 11.11 0.00 -0.83 -1.08 2.86 -1.89 -3.25 114.93 121.86 3huz h MET 112 Ca 0.02 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.82 3huz h MET 112 Cb 1.06 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.62 3huz h MET 112 CO 1.29 0.15 0.39 0.87 1.06 0.00 0.00 176.91 180.68 3huz h LYS 113 N -1.00 0.52 -0.47 1.72 1.57 -1.96 0.46 116.57 117.42 3huz h LYS 113 Ca -0.01 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3huz h LYS 113 Cb 0.24 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3huz h LYS 113 CO -0.01 0.34 0.32 0.82 -0.57 0.00 0.00 179.45 180.35 3huz h ILE 114 N 0.53 0.93 0.00 1.86 1.08 -1.95 -1.27 117.51 118.70 3huz h ILE 114 Ca 0.47 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.81 3huz h ILE 114 Cb 0.72 0.58 -0.00 0.00 -3.07 0.00 0.00 36.82 35.05 3huz h ILE 114 CO -0.40 0.06 -0.21 0.58 -0.69 0.00 0.00 178.15 177.48 3huz h VAL 115 N 0.32 0.34 -1.08 1.67 2.07 -0.23 -3.10 116.25 116.24 3huz h VAL 115 Ca 0.21 -1.29 0.29 0.00 0.82 0.00 0.00 66.70 66.73 3huz h VAL 115 Cb 0.41 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 3huz h VAL 115 CO -0.05 0.11 0.70 0.77 0.02 0.00 0.00 177.57 179.13 3huz h SER 116 N -1.00 0.38 -0.03 0.57 4.64 -0.82 -1.57 113.55 115.72 3huz h SER 116 Ca -0.02 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3huz h SER 116 Cb 0.36 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3huz h SER 116 CO -0.01 0.05 -0.08 0.25 -0.87 0.00 0.00 176.83 176.16 3huz h LEU 117 N 0.32 0.13 -9.73 5.97 6.46 -1.37 -3.46 115.31 113.63 3huz h LEU 117 Ca 0.62 -0.60 -0.57 0.00 -0.12 0.00 0.00 57.88 57.21 3huz h LEU 117 Cb 1.70 -0.04 0.15 0.00 -0.73 0.00 0.00 40.66 41.73 3huz h LEU 117 CO -0.28 0.70 0.14 0.00 -0.62 0.00 0.00 178.44 178.38 3huz n ALA 118 N -2.43 0.21 -0.06 1.25 0.00 -0.59 -4.78 120.51 114.11 3huz n ALA 118 Ca -0.08 0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 3huz n ALA 118 Cb 0.35 -2.10 0.14 0.00 0.00 0.00 0.00 19.45 17.84 3huz n ALA 118 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3huz h PRO 119 N 1.09 0.70 -2.93 0.00 0.13 -1.80 -3.46 132.00 125.73 3huz h PRO 119 Ca -0.47 -0.25 -0.13 0.00 -0.87 0.00 0.00 66.00 64.29 3huz h PRO 119 Cb 1.35 -0.05 -0.23 0.00 0.13 0.00 0.00 31.00 32.20 3huz h PRO 119 CO 0.54 0.83 -0.30 -2.00 -0.23 0.00 0.00 178.00 176.84 3huz s GLU 120 N -4.68 0.49 -0.15 0.86 2.12 -1.26 -5.09 118.70 110.98 3huz s GLU 120 Ca -0.09 0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.55 3huz s GLU 120 Cb 0.14 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.77 3huz s GLU 120 CO 0.82 -0.09 -0.20 0.08 -0.54 0.00 0.00 175.26 175.33 3huz s VAL 121 N -0.26 1.96 0.00 3.70 1.01 -1.26 -2.47 120.40 123.07 3huz s VAL 121 Ca -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3huz s VAL 121 Cb -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3huz s VAL 121 CO 0.02 0.53 0.40 0.18 0.00 0.00 0.00 175.10 176.22