#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rzn h LEU 34 N 0.00 0.71 -0.13 -4.42 5.85 -1.99 -1.82 115.31 113.51 1rzn h LEU 34 Ca 0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1rzn h LEU 34 Cb 0.00 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1rzn h LEU 34 CO 0.00 0.48 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.47 1rzn h GLU 35 N 0.85 0.26 -0.42 1.25 4.81 -1.99 -0.98 114.58 118.35 1rzn h GLU 35 Ca 0.30 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1rzn h GLU 35 Cb 0.08 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1rzn h GLU 35 CO -0.13 0.55 0.22 0.22 -0.73 0.00 0.00 179.01 179.14 1rzn h ASP 36 N -0.05 0.51 0.03 1.04 3.58 -1.96 -2.22 116.42 117.35 1rzn h ASP 36 Ca 0.03 -0.03 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 1rzn h ASP 36 Cb 0.46 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1rzn h ASP 36 CO 0.01 0.43 -0.71 0.44 -2.88 0.00 0.00 179.24 176.53 1rzn h ASP 37 N 0.59 0.71 -0.30 2.28 3.32 -0.75 -1.77 116.42 120.50 1rzn h ASP 37 Ca 0.15 -0.45 -0.13 0.00 0.02 0.00 0.00 57.03 56.63 1rzn h ASP 37 Cb 0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1rzn h ASP 37 CO -0.02 1.21 -0.27 -0.07 -1.72 0.00 0.00 179.24 178.36 1rzn h LEU 38 N 0.43 0.83 0.32 1.55 3.38 -1.13 0.57 115.31 121.26 1rzn h LEU 38 Ca -0.03 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1rzn h LEU 38 Cb 1.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1rzn h LEU 38 CO 0.13 1.05 -0.36 -1.13 0.09 0.00 0.00 178.44 178.23 1rzn h ASN 39 N 0.69 -0.97 -0.64 -0.43 -1.24 -1.18 0.68 115.58 112.48 1rzn h ASN 39 Ca 0.08 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1rzn h ASN 39 Cb 0.80 0.33 -0.03 0.00 0.73 0.00 0.00 38.32 40.15 1rzn h ASN 39 CO 0.07 -0.49 0.42 -0.33 -1.29 0.00 0.00 177.43 175.81 1rzn h GLU 40 N -0.72 0.85 -0.28 6.67 4.39 -1.31 0.49 114.58 124.69 1rzn h GLU 40 Ca -0.02 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.68 1rzn h GLU 40 Cb 0.66 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 1rzn h GLU 40 CO -0.08 0.57 -0.06 1.15 -1.16 0.00 0.00 179.01 179.43 1rzn h THR 41 N 0.87 0.73 -0.11 1.13 2.02 -0.51 -1.24 112.91 115.80 1rzn h THR 41 Ca 0.23 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 1rzn h THR 41 Cb -0.09 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1rzn h THR 41 CO -0.05 0.00 -0.28 0.78 0.37 0.00 0.00 175.52 176.34 1rzn h ASN 42 N 0.01 0.20 0.07 4.18 2.35 0.91 -1.13 115.58 122.18 1rzn h ASN 42 Ca 0.13 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1rzn h ASN 42 Cb 0.20 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1rzn h ASN 42 CO -0.28 0.48 -0.35 0.11 -1.65 0.00 0.00 177.43 175.74 1rzn h LYS 43 N 0.18 0.39 -0.21 0.81 1.57 -0.63 -0.26 116.57 118.41 1rzn h LYS 43 Ca 0.03 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1rzn h LYS 43 Cb 0.59 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1rzn h LYS 43 CO 0.04 0.69 -0.16 -0.92 -0.57 0.00 0.00 179.45 178.54 1rzn h TYR 44 N 0.33 0.57 -0.75 -1.35 5.03 -0.89 0.87 116.97 120.77 1rzn h TYR 44 Ca 0.04 -0.16 0.01 0.00 2.58 0.00 0.00 58.73 61.20 1rzn h TYR 44 Cb 0.78 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.90 1rzn h TYR 44 CO 0.02 0.80 0.49 1.88 -1.32 0.00 0.00 178.16 180.04 1rzn h TYR 45 N 0.17 0.94 0.74 -3.82 0.05 -0.97 -1.89 116.97 112.19 1rzn h TYR 45 Ca 0.04 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 1rzn h TYR 45 Cb 0.68 -0.32 0.01 0.00 1.01 0.00 0.00 36.73 38.11 1rzn h TYR 45 CO 0.07 0.58 -0.36 1.25 -1.05 0.00 0.00 178.16 178.66 1rzn h LEU 46 N 1.01 -0.84 -1.03 3.88 5.85 -0.82 -0.43 115.31 122.93 1rzn h LEU 46 Ca 0.28 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.29 1rzn h LEU 46 Cb -0.10 0.22 -0.13 0.00 0.37 0.00 0.00 40.66 41.01 1rzn h LEU 46 CO -0.07 -0.55 0.59 0.74 -0.34 0.00 0.00 178.44 178.82 1rzn h THR 47 N -1.09 0.44 -0.57 1.05 2.02 -0.79 -0.05 112.91 113.93 1rzn h THR 47 Ca -0.10 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1rzn h THR 47 Cb 0.78 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1rzn h THR 47 CO 0.17 0.09 0.00 0.59 0.37 0.00 0.00 175.52 176.73 1rzn n ASN 48 N -4.93 4.40 -3.65 4.18 4.13 -0.71 -4.93 115.26 113.74 1rzn n ASN 48 Ca 0.29 -2.44 -0.27 0.00 1.68 0.00 0.00 54.58 53.83 1rzn n ASN 48 Cb 0.85 -0.56 0.03 0.00 -1.54 0.00 0.00 39.78 38.56 1rzn n ASN 48 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rzn n GLN 49 N 0.94 -5.59 0.02 3.52 6.02 -0.03 -4.88 117.38 117.39 1rzn n GLN 49 Ca 0.23 0.67 -0.22 0.00 -0.01 0.00 0.00 57.00 57.67 1rzn n GLN 49 Cb 0.84 -5.56 -0.14 0.00 1.02 0.00 0.00 30.24 26.40 1rzn n GLN 49 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1rzn h ILE 50 N -1.95 0.85 -2.95 5.09 2.04 -1.31 -3.50 117.51 115.79 1rzn h ILE 50 Ca -0.55 -2.40 -0.01 0.00 1.00 0.00 0.00 64.86 62.90 1rzn h ILE 50 Cb 1.36 2.63 -0.12 0.00 -0.74 0.00 0.00 36.82 39.96 1rzn h ILE 50 CO 0.62 0.80 0.23 0.00 0.00 0.00 0.00 178.15 179.80 1rzn s ALA 51 N -2.53 -1.59 -0.33 1.87 0.00 -1.21 -4.62 121.76 113.33 1rzn s ALA 51 Ca -0.20 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.27 1rzn s ALA 51 Cb 0.06 0.86 0.10 0.00 0.00 0.00 0.00 23.12 24.13 1rzn s ALA 51 CO 0.79 -0.78 0.06 0.08 0.00 0.00 0.00 175.76 175.91 1rzn s VAL 52 N -3.72 1.91 -0.04 0.00 1.01 0.02 -2.92 120.40 116.66 1rzn s VAL 52 Ca 0.02 -2.10 0.01 0.00 0.00 0.00 0.00 61.98 59.91 1rzn s VAL 52 Cb -0.01 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.97 1rzn s VAL 52 CO -0.12 -0.62 -0.04 -0.63 0.00 0.00 0.00 175.10 173.69 1rzn s ILE 53 N 1.09 0.48 0.08 2.22 1.01 -1.26 -1.15 121.20 123.67 1rzn s ILE 53 Ca 0.11 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1rzn s ILE 53 Cb -0.19 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 1rzn s ILE 53 CO -0.13 0.20 -0.10 -1.00 0.00 0.00 0.00 174.94 173.91 1rzn s HIS 54 N 0.76 1.02 0.03 3.97 3.76 -1.00 -4.82 115.29 119.01 1rzn s HIS 54 Ca -0.10 -0.60 -0.29 0.00 -0.15 0.00 0.00 55.06 53.92 1rzn s HIS 54 Cb -0.13 -0.57 -0.04 0.00 1.11 0.00 0.00 32.58 32.95 1rzn s HIS 54 CO -0.00 -0.01 0.94 0.21 -0.85 0.00 0.00 174.74 175.03 1rzn s LYS 55 N -2.44 4.59 0.43 1.40 2.20 -1.26 -2.68 119.74 121.98 1rzn s LYS 55 Ca 0.02 1.37 -0.23 0.00 -0.36 0.00 0.00 55.97 56.76 1rzn s LYS 55 Cb -0.05 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.76 1rzn s LYS 55 CO 0.00 0.06 1.09 0.15 -0.36 0.00 0.00 175.35 176.29 1rzn s LYS 56 N 0.63 3.98 0.54 4.03 1.02 0.19 -4.99 119.74 125.15 1rzn s LYS 56 Ca 0.49 1.58 -0.21 0.00 0.02 0.00 0.00 55.97 57.85 1rzn s LYS 56 Cb -0.21 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.61 1rzn s LYS 56 CO 0.27 -0.32 1.27 -2.14 -0.92 0.00 0.00 175.35 173.52 1rzn s PRO 57 N -2.66 3.22 0.35 -1.68 0.02 -1.26 -4.95 135.00 128.03 1rzn s PRO 57 Ca 0.61 2.01 -0.27 0.00 0.02 0.00 0.00 61.00 63.37 1rzn s PRO 57 Cb -0.23 -2.19 -0.09 0.00 0.02 0.00 0.00 34.50 32.01 1rzn s PRO 57 CO 0.29 -1.06 1.10 0.99 -0.33 0.00 0.00 177.00 177.99 1rzn s THR 58 N -1.44 3.46 0.35 0.99 2.01 -1.26 -4.97 115.64 114.78 1rzn s THR 58 Ca 0.72 1.29 -0.26 0.00 0.31 0.00 0.00 61.69 63.75 1rzn s THR 58 Cb -0.35 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 1rzn s THR 58 CO 0.40 0.18 1.07 -2.84 -0.69 0.00 0.00 174.62 172.74 1rzn s PRO 59 N -2.00 4.37 0.03 4.92 0.02 -1.26 -5.01 135.00 136.07 1rzn s PRO 59 Ca 0.52 1.63 0.04 0.00 0.02 0.00 0.00 61.00 63.20 1rzn s PRO 59 Cb -0.29 -2.82 -0.02 0.00 0.02 0.00 0.00 34.50 31.39 1rzn s PRO 59 CO 0.36 0.02 -0.11 0.14 -0.33 0.00 0.00 177.00 177.08 1rzn s VAL 60 N -1.44 0.84 0.00 3.83 -7.23 -1.26 -2.52 120.40 112.61 1rzn s VAL 60 Ca 0.52 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 1rzn s VAL 60 Cb -0.26 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1rzn s VAL 60 CO 0.33 -0.07 0.00 1.67 -0.31 0.00 0.00 175.10 176.72 1rzn n GLN 61 N 2.00 0.00 -1.96 4.82 -0.06 -0.51 -4.94 117.38 116.74 1rzn n GLN 61 Ca -0.18 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.80 1rzn n GLN 61 Cb 0.55 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.73 1rzn n GLN 61 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1rzn n GLU 77 N 0.00 -2.23 -2.00 3.69 -0.58 -1.26 -4.80 120.64 113.46 1rzn n GLU 77 Ca 0.00 0.07 -0.41 0.00 -0.42 0.00 0.00 57.16 56.41 1rzn n GLU 77 Cb 0.00 -4.40 -0.00 0.00 -0.57 0.00 0.00 31.44 26.46 1rzn n GLU 77 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rzn n ALA 78 N -1.88 6.53 -2.73 0.62 0.00 -1.26 -5.05 120.51 116.74 1rzn n ALA 78 Ca -0.02 -4.08 -0.34 0.00 0.00 0.00 0.00 53.44 49.00 1rzn n ALA 78 Cb 0.34 -2.89 -0.10 0.00 0.00 0.00 0.00 19.45 16.80 1rzn n ALA 78 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1rzn s TYR 79 N -0.41 3.10 0.20 0.00 2.02 -1.26 -5.12 117.35 115.88 1rzn s TYR 79 Ca 0.52 0.06 -0.26 0.00 -0.37 0.00 0.00 57.07 57.01 1rzn s TYR 79 Cb 0.16 -1.83 -0.08 0.00 -0.40 0.00 0.00 41.96 39.81 1rzn s TYR 79 CO -0.07 0.32 0.83 -0.06 -1.57 0.00 0.00 175.55 175.00 1rzn s PHE 80 N -0.53 3.89 0.16 2.71 0.40 -1.26 -1.42 117.98 121.93 1rzn s PHE 80 Ca 0.09 1.70 0.11 0.00 -0.60 0.00 0.00 56.93 58.23 1rzn s PHE 80 Cb -0.12 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.55 1rzn s PHE 80 CO 0.02 0.46 -0.24 0.21 0.70 0.00 0.00 175.22 176.38 1rzn s LYS 81 N -1.29 1.54 0.05 0.44 2.20 -1.05 -4.86 119.74 116.77 1rzn s LYS 81 Ca 0.39 -1.40 -0.30 0.00 -0.36 0.00 0.00 55.97 54.29 1rzn s LYS 81 Cb -0.23 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.13 1rzn s LYS 81 CO 0.27 0.43 0.98 -1.14 -0.36 0.00 0.00 175.35 175.53 1rzn s GLN 82 N -2.38 4.62 0.18 4.03 2.00 -1.26 -4.50 119.66 122.35 1rzn s GLN 82 Ca 0.18 1.44 -0.20 0.00 -2.00 0.00 0.00 55.36 54.78 1rzn s GLN 82 Cb -0.09 -3.42 -0.08 0.00 0.80 0.00 0.00 33.01 30.22 1rzn s GLN 82 CO 0.09 0.06 0.69 0.45 -0.50 0.00 0.00 175.29 176.08 1rzn s SER 83 N 0.57 7.09 -0.03 6.67 0.15 -1.26 -4.98 113.70 121.92 1rzn s SER 83 Ca 0.50 1.40 0.12 0.00 0.70 0.00 0.00 55.95 58.67 1rzn s SER 83 Cb -0.22 -2.41 0.40 0.00 -1.71 0.00 0.00 66.02 62.08 1rzn s SER 83 CO 0.29 0.11 1.30 -1.54 1.20 0.00 0.00 173.24 174.60 1rzn n SER 84 N 1.03 2.62 -3.94 5.45 3.41 -1.26 -4.78 113.62 116.14 1rzn n SER 84 Ca -0.04 -2.11 -0.18 0.00 -0.26 0.00 0.00 58.87 56.27 1rzn n SER 84 Cb 0.51 -0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 1rzn n SER 84 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rzn s THR 85 N -1.55 0.27 0.90 6.66 -4.23 -1.26 -4.50 115.64 111.93 1rzn s THR 85 Ca 0.30 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 1rzn s THR 85 Cb 0.17 -2.51 0.13 0.00 1.34 0.00 0.00 72.50 71.63 1rzn s THR 85 CO 0.18 0.00 1.09 0.42 -0.54 0.00 0.00 174.62 175.77 1rzn s THR 86 N -3.63 2.66 -0.42 3.99 -4.23 -1.26 -4.78 115.64 107.96 1rzn s THR 86 Ca 0.36 0.21 0.23 0.00 -1.18 0.00 0.00 61.69 61.32 1rzn s THR 86 Cb 0.05 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.36 1rzn s THR 86 CO 0.18 -0.28 1.21 0.44 -0.54 0.00 0.00 174.62 175.64 1rzn h ASP 87 N -1.61 0.00 -4.04 3.99 5.19 -1.93 -3.47 116.42 114.55 1rzn h ASP 87 Ca -0.48 -0.09 -0.69 0.00 -0.62 0.00 0.00 57.03 55.15 1rzn h ASP 87 Cb 1.27 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 40.49 1rzn h ASP 87 CO 0.51 0.04 -0.85 -0.31 -3.12 0.00 0.00 179.24 175.51 1rzn s TYR 88 N -3.27 2.51 0.24 4.55 1.51 -0.72 0.57 117.35 122.75 1rzn s TYR 88 Ca 0.03 -0.56 -0.21 0.00 -1.01 0.00 0.00 57.07 55.32 1rzn s TYR 88 Cb 0.11 -1.61 0.03 0.00 -0.11 0.00 0.00 41.96 40.37 1rzn s TYR 88 CO 0.75 -0.11 0.67 0.54 -1.11 0.00 0.00 175.55 176.29 1rzn s ASN 89 N -0.29 -0.33 0.00 2.29 2.20 -1.09 -0.88 114.94 116.83 1rzn s ASN 89 Ca 0.01 -0.46 0.00 0.00 -0.94 0.00 0.00 52.86 51.46 1rzn s ASN 89 Cb -0.13 0.68 0.00 0.00 -2.00 0.00 0.00 41.25 39.81 1rzn s ASN 89 CO 0.03 -1.23 0.00 0.61 -2.94 0.00 0.00 177.10 173.57 1rzn n GLY 90 N -0.43 -0.55 2.97 0.45 0.00 0.32 -2.38 105.19 105.58 1rzn n GLY 90 Ca -0.07 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 1rzn n GLY 90 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1rzn s ILE 91 N -3.47 0.51 -0.09 -0.61 2.07 -0.30 0.06 121.20 119.36 1rzn s ILE 91 Ca 0.00 -0.26 -0.03 0.00 -1.41 0.00 0.00 60.65 58.94 1rzn s ILE 91 Cb 0.00 -0.44 0.05 0.00 0.13 0.00 0.00 42.46 42.20 1rzn s ILE 91 CO 0.00 0.15 0.11 -0.47 -1.91 0.00 0.00 174.94 172.82 1rzn s TYR 92 N -0.08 -0.02 -1.34 3.50 5.04 -0.92 -0.80 117.35 122.72 1rzn s TYR 92 Ca 0.02 0.27 -0.05 0.00 -2.44 0.00 0.00 57.07 54.87 1rzn s TYR 92 Cb -0.03 -0.44 0.02 0.00 0.35 0.00 0.00 41.96 41.86 1rzn s TYR 92 CO -0.00 -0.31 0.94 1.63 -1.34 0.00 0.00 175.55 176.48 1rzn n LYS 93 N 5.31 -6.14 0.00 4.97 5.02 -1.26 -1.78 118.16 124.27 1rzn n LYS 93 Ca -0.04 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1rzn n LYS 93 Cb 0.50 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.94 1rzn n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rzn n GLY 94 N -1.59 3.10 3.90 0.72 0.00 -1.26 -5.01 105.19 105.05 1rzn n GLY 94 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1rzn n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rzn s ARG 95 N -0.32 3.58 0.11 1.61 1.81 -0.73 -5.08 118.95 119.94 1rzn s ARG 95 Ca 0.00 -0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 53.57 1rzn s ARG 95 Cb 0.00 -2.94 -0.06 0.00 -0.45 0.00 0.00 34.95 31.50 1rzn s ARG 95 CO 0.00 0.54 1.02 -0.47 -0.68 0.00 0.00 175.30 175.71 1rzn s TYR 96 N -1.55 3.70 -0.03 -0.53 5.04 -1.26 -2.18 117.35 120.55 1rzn s TYR 96 Ca 0.37 1.69 0.07 0.00 -2.44 0.00 0.00 57.07 56.75 1rzn s TYR 96 Cb -0.13 -3.16 -0.02 0.00 0.35 0.00 0.00 41.96 39.01 1rzn s TYR 96 CO 0.23 -0.18 -0.24 0.42 -1.34 0.00 0.00 175.55 174.45 1rzn s ILE 97 N 0.14 1.89 -0.13 3.14 -1.09 0.11 -2.07 121.20 123.18 1rzn s ILE 97 Ca 0.49 -1.01 -0.11 0.00 -2.23 0.00 0.00 60.65 57.79 1rzn s ILE 97 Cb -0.25 -1.57 0.04 0.00 -1.58 0.00 0.00 42.46 39.09 1rzn s ILE 97 CO 0.31 0.53 0.35 -0.62 -1.23 0.00 0.00 174.94 174.28 1rzn s ASP 98 N -0.45 -0.38 0.11 3.58 -1.08 -0.48 -0.52 116.67 117.44 1rzn s ASP 98 Ca 0.06 0.72 -0.25 0.00 -0.52 0.00 0.00 52.55 52.56 1rzn s ASP 98 Cb -0.10 0.71 0.08 0.00 -1.46 0.00 0.00 42.92 42.14 1rzn s ASP 98 CO 0.00 -0.13 0.75 0.72 0.52 0.00 0.00 175.17 177.03 1rzn s PHE 99 N 0.39 -0.40 0.17 -5.34 -0.12 -0.06 -2.36 117.98 110.27 1rzn s PHE 99 Ca -0.02 0.19 0.11 0.00 -0.05 0.00 0.00 56.93 57.16 1rzn s PHE 99 Cb -0.04 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 1rzn s PHE 99 CO -0.02 -0.76 -0.23 -2.00 -0.05 0.00 0.00 175.22 172.16 1rzn s GLU 100 N -3.48 1.43 -0.04 1.99 2.56 -1.10 -1.75 118.70 118.32 1rzn s GLU 100 Ca 0.04 -1.46 0.01 0.00 0.00 0.00 0.00 54.97 53.56 1rzn s GLU 100 Cb -0.01 -1.73 0.02 0.00 2.00 0.00 0.00 34.13 34.41 1rzn s GLU 100 CO -0.08 0.38 -0.03 0.00 -0.56 0.00 0.00 175.26 174.97 1rzn s ALA 101 N -1.63 0.51 0.03 6.30 0.00 -1.26 -1.86 121.76 123.86 1rzn s ALA 101 Ca 0.18 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.11 1rzn s ALA 101 Cb -0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 1rzn s ALA 101 CO 0.08 -0.03 0.13 0.15 0.00 0.00 0.00 175.76 176.10 1rzn s LYS 102 N 0.91 0.60 0.24 0.00 -0.14 -0.67 -4.99 119.74 115.69 1rzn s LYS 102 Ca -0.11 -0.65 0.10 0.00 -1.36 0.00 0.00 55.97 53.94 1rzn s LYS 102 Cb -0.14 0.24 -0.05 0.00 -1.68 0.00 0.00 37.83 36.20 1rzn s LYS 102 CO -0.01 -0.16 -0.17 -1.83 -0.76 0.00 0.00 175.35 172.43 1rzn s GLU 103 N -2.37 1.48 -0.02 1.68 -1.05 -1.26 -1.06 118.70 116.09 1rzn s GLU 103 Ca -0.07 -1.66 -0.14 0.00 -0.15 0.00 0.00 54.97 52.95 1rzn s GLU 103 Cb -0.02 -1.40 0.02 0.00 -0.44 0.00 0.00 34.13 32.29 1rzn s GLU 103 CO -0.03 0.25 0.30 -0.08 0.95 0.00 0.00 175.26 176.64 1rzn s THR 104 N -2.76 0.06 0.00 1.83 -1.32 -0.96 -4.99 115.64 107.49 1rzn s THR 104 Ca 0.26 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 1rzn s THR 104 Cb -0.03 -0.59 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 1rzn s THR 104 CO 0.10 -0.25 0.09 0.29 -2.21 0.00 0.00 174.62 172.64 1rzn n LYS 105 N 1.39 0.00 0.00 7.08 5.02 -1.26 -4.67 118.16 125.73 1rzn n LYS 105 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1rzn n LYS 105 Cb 0.56 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 1rzn n LYS 105 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rzn n ASN 106 N -0.13 0.00 -0.01 4.39 2.85 -1.26 -4.57 115.26 116.54 1rzn n ASN 106 Ca 0.00 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.58 1rzn n ASN 106 Cb 0.00 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 40.87 1rzn n ASN 106 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1rzn n LYS 107 N 0.05 0.45 -0.10 1.20 5.02 -1.26 -4.49 118.16 119.03 1rzn n LYS 107 Ca 0.00 -0.14 -0.13 0.00 -2.02 0.00 0.00 58.31 56.02 1rzn n LYS 107 Cb 0.00 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 33.40 1rzn n LYS 107 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1rzn n THR 108 N -2.02 1.13 -3.94 -0.18 -1.04 -1.26 -4.87 114.28 102.10 1rzn n THR 108 Ca -0.02 -0.45 -0.09 0.00 -2.04 0.00 0.00 64.05 61.45 1rzn n THR 108 Cb 0.50 -1.15 -0.09 0.00 -1.82 0.00 0.00 70.33 67.77 1rzn n THR 108 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1rzn s SER 109 N -5.83 0.21 -0.45 8.00 1.04 -1.26 0.67 113.70 116.09 1rzn s SER 109 Ca -0.25 -0.63 -0.15 0.00 0.48 0.00 0.00 55.95 55.40 1rzn s SER 109 Cb 0.07 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.49 1rzn s SER 109 CO 0.47 -0.57 0.36 0.12 0.98 0.00 0.00 173.24 174.60 1rzn s PHE 110 N -3.10 3.25 -0.18 5.02 2.19 0.21 -4.79 117.98 120.58 1rzn s PHE 110 Ca -0.01 -0.86 -0.32 0.00 0.33 0.00 0.00 56.93 56.08 1rzn s PHE 110 Cb 0.02 -2.99 -0.09 0.00 -1.31 0.00 0.00 43.02 38.65 1rzn s PHE 110 CO -0.07 -0.74 2.09 -0.35 1.83 0.00 0.00 175.22 177.98 1rzn n PRO 111 N 5.18 1.96 0.21 10.12 -0.04 -1.26 -2.84 135.00 148.32 1rzn n PRO 111 Ca -0.12 0.63 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 1rzn n PRO 111 Cb 0.45 -2.87 0.73 0.00 -0.04 0.00 0.00 33.50 31.77 1rzn n PRO 111 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1rzn h LEU 112 N 12.23 0.00 0.00 1.53 3.38 -1.83 -2.05 115.31 128.57 1rzn h LEU 112 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1rzn h LEU 112 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1rzn h LEU 112 CO 0.97 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.50 1rzn n GLN 113 N -2.49 0.88 0.16 1.13 10.64 -1.26 -2.40 117.38 124.03 1rzn n GLN 113 Ca -0.01 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.20 1rzn n GLN 113 Cb 0.08 -1.23 0.48 0.00 -0.86 0.00 0.00 30.24 28.70 1rzn n GLN 113 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1rzn h ASN 114 N 0.00 0.16 -1.55 2.61 2.35 -1.75 -3.44 115.58 113.95 1rzn h ASN 114 Ca 0.00 -0.02 -0.48 0.00 -0.55 0.00 0.00 56.30 55.25 1rzn h ASN 114 Cb 0.00 -0.04 0.07 0.00 0.05 0.00 0.00 38.32 38.40 1rzn h ASN 114 CO 0.00 0.24 0.05 -0.36 -1.65 0.00 0.00 177.43 175.71 1rzn s PHE 115 N -4.89 1.30 0.18 1.19 0.08 -1.01 -5.04 117.98 109.79 1rzn s PHE 115 Ca -0.05 -0.50 -0.14 0.00 0.12 0.00 0.00 56.93 56.36 1rzn s PHE 115 Cb 0.16 -2.72 0.01 0.00 -0.57 0.00 0.00 43.02 39.91 1rzn s PHE 115 CO 0.71 -1.63 0.41 -3.38 -0.10 0.00 0.00 175.22 171.24 1rzn s HIS 116 N -3.02 0.09 0.15 0.36 -3.43 -1.26 -5.05 115.29 103.13 1rzn s HIS 116 Ca 0.66 -0.45 -0.20 0.00 -0.80 0.00 0.00 55.06 54.27 1rzn s HIS 116 Cb -0.05 0.20 0.03 0.00 -1.43 0.00 0.00 32.58 31.33 1rzn s HIS 116 CO 0.43 -0.82 1.67 -0.44 -2.00 0.00 0.00 174.74 173.58 1rzn h ASP 117 N 2.36 -0.43 -0.65 7.38 5.19 -2.00 -1.50 116.42 126.77 1rzn h ASP 117 Ca -0.30 0.10 0.09 0.00 -0.62 0.00 0.00 57.03 56.30 1rzn h ASP 117 Cb 1.25 0.24 -0.07 0.00 0.18 0.00 0.00 39.33 40.93 1rzn h ASP 117 CO 0.43 -0.16 0.29 0.45 -3.12 0.00 0.00 179.24 177.13 1rzn h HIS 118 N -0.10 0.53 -0.60 4.55 3.86 -1.92 -0.73 115.15 120.74 1rzn h HIS 118 Ca 0.14 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1rzn h HIS 118 Cb 0.30 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 1rzn h HIS 118 CO -0.31 0.18 0.34 1.96 0.86 0.00 0.00 177.93 180.96 1rzn h GLN 119 N 0.52 0.65 -0.37 2.45 4.20 -1.51 -0.57 115.11 120.47 1rzn h GLN 119 Ca 0.32 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 1rzn h GLN 119 Cb 0.34 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1rzn h GLN 119 CO -0.27 0.43 0.08 0.82 -0.67 0.00 0.00 178.83 179.22 1rzn h ILE 120 N 0.66 1.23 -0.64 2.54 1.08 -1.03 -1.97 117.51 119.38 1rzn h ILE 120 Ca 0.25 -0.78 -0.03 0.00 -0.39 0.00 0.00 64.86 63.91 1rzn h ILE 120 Cb 0.09 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 1rzn h ILE 120 CO -0.14 0.27 0.29 -0.08 -0.69 0.00 0.00 178.15 177.80 1rzn h GLU 121 N 0.45 0.93 -0.47 2.37 4.57 -0.85 0.26 114.58 121.84 1rzn h GLU 121 Ca 0.11 -0.15 0.06 0.00 -1.18 0.00 0.00 59.36 58.20 1rzn h GLU 121 Cb 0.32 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 1rzn h GLU 121 CO 0.00 0.76 0.18 1.25 -1.18 0.00 0.00 179.01 180.02 1rzn h HIS 122 N 0.88 0.31 -0.62 0.92 2.76 -1.04 -0.32 115.15 118.05 1rzn h HIS 122 Ca 0.22 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1rzn h HIS 122 Cb 0.15 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 1rzn h HIS 122 CO 0.01 0.12 0.17 0.52 -1.30 0.00 0.00 177.93 177.45 1rzn h MET 123 N 0.35 0.97 -0.65 5.26 2.86 -0.69 0.92 114.93 123.95 1rzn h MET 123 Ca 0.22 -0.22 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1rzn h MET 123 Cb 0.21 -0.13 -0.08 0.00 0.06 0.00 0.00 31.60 31.65 1rzn h MET 123 CO -0.21 0.87 0.24 0.87 1.06 0.00 0.00 176.91 179.74 1rzn h LYS 124 N 0.89 0.40 -0.73 1.72 1.57 -0.50 0.39 116.57 120.29 1rzn h LYS 124 Ca 0.20 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1rzn h LYS 124 Cb 0.32 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1rzn h LYS 124 CO -0.00 0.26 0.49 1.96 -0.57 0.00 0.00 179.45 181.58 1rzn h GLN 125 N 0.41 0.96 -0.15 3.15 4.20 -0.18 0.40 115.11 123.90 1rzn h GLN 125 Ca 0.34 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 1rzn h GLN 125 Cb 0.45 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1rzn h GLN 125 CO -0.34 0.64 0.03 0.28 -0.67 0.00 0.00 178.83 178.76 1rzn h VAL 126 N 0.99 1.21 -0.67 -0.54 2.07 0.34 -0.72 116.25 118.94 1rzn h VAL 126 Ca 0.27 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1rzn h VAL 126 Cb -0.11 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1rzn h VAL 126 CO -0.06 0.20 0.30 0.11 0.02 0.00 0.00 177.57 178.13 1rzn h LYS 127 N 0.03 0.98 0.00 1.57 1.79 -0.85 -1.23 116.57 118.86 1rzn h LYS 127 Ca 0.04 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 1rzn h LYS 127 Cb 0.28 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1rzn h LYS 127 CO 0.00 0.80 -0.10 0.00 -1.08 0.00 0.00 179.45 179.07 1rzn h ALA 128 N 1.13 1.57 -0.08 3.86 0.00 -0.71 0.30 119.26 125.32 1rzn h ALA 128 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rzn h ALA 128 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rzn h ALA 128 CO -0.02 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.39 1rzn n GLN 129 N -4.03 1.40 -3.17 0.00 1.13 -0.29 -4.91 117.38 107.52 1rzn n GLN 129 Ca -0.02 -0.38 -0.22 0.00 -1.94 0.00 0.00 57.00 54.43 1rzn n GLN 129 Cb 0.19 -1.42 0.02 0.00 0.11 0.00 0.00 30.24 29.13 1rzn n GLN 129 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1rzn n ASP 130 N -0.02 -4.90 -4.93 1.08 8.00 0.11 -5.02 116.55 110.86 1rzn n ASP 130 Ca 0.03 -0.32 -0.25 0.00 0.71 0.00 0.00 54.79 54.96 1rzn n ASP 130 Cb 0.27 -4.00 0.04 0.00 -0.02 0.00 0.00 41.12 37.42 1rzn n ASP 130 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1rzn s GLY 131 N -2.69 1.66 -0.35 0.44 0.00 -0.86 -4.92 107.32 100.60 1rzn s GLY 131 Ca 0.34 -0.90 -0.20 0.00 0.00 0.00 0.00 44.72 43.96 1rzn s GLY 131 CO 0.42 -0.57 0.63 -0.42 0.00 0.00 0.00 173.10 173.15 1rzn s ILE 132 N -3.03 4.90 0.03 0.90 1.01 -0.88 -4.53 121.20 119.61 1rzn s ILE 132 Ca 0.56 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.84 1rzn s ILE 132 Cb -0.11 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 1rzn s ILE 132 CO 0.44 -0.30 -0.11 0.00 0.00 0.00 0.00 174.94 174.97 1rzn s PHE 134 N -0.87 -0.01 0.19 0.00 -0.12 -0.99 -2.28 117.98 113.90 1rzn s PHE 134 Ca -0.02 -0.03 0.08 0.00 -0.05 0.00 0.00 56.93 56.91 1rzn s PHE 134 Cb -0.07 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1rzn s PHE 134 CO 0.01 -0.09 -0.15 0.14 -0.05 0.00 0.00 175.22 175.07 1rzn s VAL 135 N -2.10 1.72 -0.14 -2.49 -7.23 -0.57 -2.69 120.40 106.89 1rzn s VAL 135 Ca 0.19 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1rzn s VAL 135 Cb 0.05 -1.96 0.02 0.00 0.56 0.00 0.00 36.38 35.04 1rzn s VAL 135 CO -0.05 -0.53 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.39 1rzn s ILE 136 N -2.74 1.86 -0.14 -0.62 1.01 -0.78 -0.92 121.20 118.88 1rzn s ILE 136 Ca 0.20 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1rzn s ILE 136 Cb -0.02 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1rzn s ILE 136 CO 0.06 0.51 -0.21 -0.63 0.00 0.00 0.00 174.94 174.68 1rzn s ILE 137 N 1.08 1.97 -0.47 2.92 1.01 0.11 -1.66 121.20 126.15 1rzn s ILE 137 Ca -0.02 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 1rzn s ILE 137 Cb -0.14 -1.75 0.09 0.00 0.01 0.00 0.00 42.46 40.67 1rzn s ILE 137 CO -0.06 0.53 0.37 -0.55 0.00 0.00 0.00 174.94 175.23 1rzn s SER 138 N 0.85 5.92 -0.11 3.58 0.15 -0.23 0.11 113.70 123.98 1rzn s SER 138 Ca -0.07 -1.58 -0.30 0.00 0.70 0.00 0.00 55.95 54.70 1rzn s SER 138 Cb -0.15 -2.10 0.09 0.00 -1.71 0.00 0.00 66.02 62.15 1rzn s SER 138 CO -0.02 -0.67 0.80 0.00 1.20 0.00 0.00 173.24 174.56 1rzn s ALA 139 N 1.52 -1.83 -1.05 5.45 0.00 -0.69 -2.28 121.76 122.87 1rzn s ALA 139 Ca 0.04 1.47 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 1rzn s ALA 139 Cb -0.25 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1rzn s ALA 139 CO 0.03 -0.34 0.51 1.19 0.00 0.00 0.00 175.76 177.15 1rzn n PHE 140 N 0.97 -1.50 -1.91 0.00 3.72 -1.26 -1.05 117.46 116.42 1rzn n PHE 140 Ca -0.15 0.44 -0.19 0.00 -0.05 0.00 0.00 57.45 57.49 1rzn n PHE 140 Cb 0.57 -3.52 -0.05 0.00 -0.94 0.00 0.00 39.48 35.54 1rzn n PHE 140 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1rzn n ASP 141 N -1.29 -5.24 -3.91 4.37 8.00 -1.26 -4.97 116.55 112.24 1rzn n ASP 141 Ca -0.06 0.29 -0.25 0.00 0.71 0.00 0.00 54.79 55.48 1rzn n ASP 141 Cb 0.57 -4.54 -0.08 0.00 -0.02 0.00 0.00 41.12 37.05 1rzn n ASP 141 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1rzn s GLN 142 N -4.22 1.92 -0.03 -1.24 -1.52 -0.22 -5.16 119.66 109.20 1rzn s GLN 142 Ca 0.00 -2.17 -0.00 0.00 -1.95 0.00 0.00 55.36 51.24 1rzn s GLN 142 Cb 0.00 -0.38 0.03 0.00 -0.22 0.00 0.00 33.01 32.44 1rzn s GLN 142 CO 0.00 -0.55 0.01 0.08 -0.25 0.00 0.00 175.29 174.59 1rzn s VAL 143 N -3.24 0.13 0.05 1.09 1.01 -1.26 -1.71 120.40 116.47 1rzn s VAL 143 Ca 0.26 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.46 1rzn s VAL 143 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 1rzn s VAL 143 CO 0.18 0.16 -0.17 -0.31 0.00 0.00 0.00 175.10 174.95 1rzn s TYR 144 N 1.30 1.52 -0.37 5.22 2.02 0.30 0.11 117.35 127.45 1rzn s TYR 144 Ca -0.06 -0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 56.14 1rzn s TYR 144 Cb -0.13 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.54 1rzn s TYR 144 CO -0.02 0.08 0.25 0.12 -1.57 0.00 0.00 175.55 174.41 1rzn s PHE 145 N -0.88 3.23 -0.31 2.71 2.19 0.11 0.08 117.98 125.11 1rzn s PHE 145 Ca 0.04 -0.49 -0.00 0.00 0.33 0.00 0.00 56.93 56.81 1rzn s PHE 145 Cb -0.09 -2.51 0.06 0.00 -1.31 0.00 0.00 43.02 39.18 1rzn s PHE 145 CO 0.02 -0.50 0.00 -1.17 1.83 0.00 0.00 175.22 175.40 1rzn s LEU 146 N 1.68 4.05 0.30 6.12 2.96 -0.10 -0.58 118.68 133.10 1rzn s LEU 146 Ca 0.05 -1.49 -0.26 0.00 -0.22 0.00 0.00 54.13 52.22 1rzn s LEU 146 Cb -0.18 -1.68 -0.15 0.00 0.50 0.00 0.00 46.19 44.67 1rzn s LEU 146 CO 0.09 -0.29 0.52 -0.62 -1.32 0.00 0.00 176.35 174.73 1rzn n GLU 147 N 4.54 0.33 -0.07 1.98 4.71 -1.26 -1.52 120.64 129.34 1rzn n GLU 147 Ca -0.10 0.12 0.07 0.00 -0.01 0.00 0.00 57.16 57.23 1rzn n GLU 147 Cb 0.43 -1.23 0.42 0.00 -1.01 0.00 0.00 31.44 30.05 1rzn n GLU 147 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1rzn h ALA 148 N 0.99 1.78 -0.61 0.62 0.00 -1.79 -1.77 119.26 118.48 1rzn h ALA 148 Ca -0.34 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.58 1rzn h ALA 148 Cb 1.42 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1rzn h ALA 148 CO 0.55 0.14 0.36 -0.44 0.00 0.00 0.00 179.25 179.86 1rzn h ASP 149 N 0.57 0.57 -0.27 0.00 3.32 -1.90 -1.40 116.42 117.33 1rzn h ASP 149 Ca 0.22 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1rzn h ASP 149 Cb 0.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1rzn h ASP 149 CO -0.06 0.39 0.05 0.11 -1.72 0.00 0.00 179.24 178.01 1rzn h LYS 150 N 0.70 0.44 0.00 3.56 1.79 -1.68 -2.26 116.57 119.12 1rzn h LYS 150 Ca 0.25 -0.11 -0.07 0.00 -2.18 0.00 0.00 60.65 58.54 1rzn h LYS 150 Cb 0.07 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1rzn h LYS 150 CO -0.12 0.55 -0.32 1.25 -1.08 0.00 0.00 179.45 179.73 1rzn h LEU 151 N 0.26 0.00 -0.06 2.94 5.85 -1.14 -1.84 115.31 121.32 1rzn h LEU 151 Ca 0.08 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1rzn h LEU 151 Cb 0.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1rzn h LEU 151 CO 0.00 0.32 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.14 1rzn h PHE 152 N 0.00 -0.06 -0.90 1.25 0.04 -0.99 -1.36 116.94 114.91 1rzn h PHE 152 Ca -0.00 0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.87 1rzn h PHE 152 Cb 0.70 0.04 -0.12 0.00 2.20 0.00 0.00 35.95 38.77 1rzn h PHE 152 CO 0.00 -0.05 -0.49 0.98 -0.60 0.00 0.00 178.31 178.15 1rzn n TYR 153 N -5.14 -0.30 0.17 -0.55 4.19 -0.71 0.14 117.16 114.96 1rzn n TYR 153 Ca -0.06 1.12 0.02 0.00 3.31 0.00 0.00 57.90 62.30 1rzn n TYR 153 Cb 0.07 -0.63 0.28 0.00 0.49 0.00 0.00 39.34 39.55 1rzn n TYR 153 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1rzn h PHE 154 N 0.00 0.00 0.24 2.98 0.04 -1.42 -1.72 116.94 117.06 1rzn h PHE 154 Ca 0.18 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.61 1rzn h PHE 154 Cb 0.41 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.59 1rzn h PHE 154 CO -0.90 0.47 -1.54 2.35 -0.60 0.00 0.00 178.31 178.09 1rzn h TRP 155 N 0.00 0.91 -0.10 -0.55 2.91 0.49 -3.16 115.95 116.45 1rzn h TRP 155 Ca -0.00 -0.67 -0.17 0.00 1.13 0.00 0.00 58.89 59.18 1rzn h TRP 155 Cb 0.90 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.51 1rzn h TRP 155 CO 0.00 1.59 -0.65 -0.44 -1.03 0.00 0.00 178.44 177.91 1rzn h ASP 156 N 0.12 0.44 -0.58 2.65 3.32 0.12 -2.24 116.42 120.25 1rzn h ASP 156 Ca -0.28 -0.27 -0.35 0.00 0.02 0.00 0.00 57.03 56.16 1rzn h ASP 156 Cb 2.14 -0.13 -0.13 0.00 0.22 0.00 0.00 39.33 41.44 1rzn h ASP 156 CO 0.25 0.97 0.13 -2.11 -1.72 0.00 0.00 179.24 176.77 1rzn n ARG 157 N -3.87 2.09 -0.01 3.56 1.85 -0.65 -4.10 116.66 115.53 1rzn n ARG 157 Ca -0.03 -1.66 -0.02 0.00 -1.00 0.00 0.00 57.85 55.14 1rzn n ARG 157 Cb 0.66 -1.94 -0.01 0.00 -1.05 0.00 0.00 32.46 30.12 1rzn n ARG 157 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1rzn n LYS 158 N 1.33 0.09 -0.15 2.89 4.81 -0.84 -4.12 118.16 122.17 1rzn n LYS 158 Ca 0.41 0.04 -0.11 0.00 -0.87 0.00 0.00 58.31 57.78 1rzn n LYS 158 Cb 0.66 -0.52 -0.01 0.00 0.02 0.00 0.00 35.03 35.18 1rzn n LYS 158 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1rzn h GLU 159 N -0.18 0.81 0.00 1.64 4.57 -1.78 -3.33 114.58 116.32 1rzn h GLU 159 Ca 0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1rzn h GLU 159 Cb 0.18 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1rzn h GLU 159 CO 0.00 0.91 0.00 1.17 -1.18 0.00 0.00 179.01 179.91 1rzn n LYS 160 N -4.33 0.00 -4.07 1.92 4.81 -1.26 -4.10 118.16 111.14 1rzn n LYS 160 Ca -0.00 0.65 -0.24 0.00 -0.87 0.00 0.00 58.31 57.85 1rzn n LYS 160 Cb 0.34 -1.10 -0.17 0.00 0.02 0.00 0.00 35.03 34.12 1rzn n LYS 160 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1rzn s ASN 161 N -2.83 1.77 0.00 3.14 0.01 -1.26 -5.09 114.94 110.68 1rzn s ASN 161 Ca 0.00 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 1rzn s ASN 161 Cb 0.00 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.97 1rzn s ASN 161 CO 0.00 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 1rzn n GLY 162 N 4.59 0.19 3.58 0.66 0.00 -1.25 -4.63 105.19 108.33 1rzn n GLY 162 Ca -0.16 0.63 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 1rzn n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rzn s ARG 163 N 0.00 2.12 -0.50 1.61 1.81 -1.26 -4.82 118.95 117.91 1rzn s ARG 163 Ca 0.00 -0.76 -0.00 0.00 -1.72 0.00 0.00 55.73 53.25 1rzn s ARG 163 Cb 0.00 -5.12 0.44 0.00 -0.45 0.00 0.00 34.95 29.81 1rzn s ARG 163 CO 0.00 -4.30 1.95 0.36 -0.68 0.00 0.00 175.30 172.63 1rzn n LYS 164 N 8.37 2.30 -3.81 3.54 -0.00 -1.26 -4.57 118.16 122.73 1rzn n LYS 164 Ca 0.43 -2.69 -0.10 0.00 -0.00 0.00 0.00 58.31 55.96 1rzn n LYS 164 Cb 0.46 -2.05 -0.07 0.00 -0.00 0.00 0.00 35.03 33.37 1rzn n LYS 164 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1rzn s SER 165 N -1.13 0.03 -0.16 -5.58 0.01 -1.26 -2.32 113.70 103.29 1rzn s SER 165 Ca 0.53 -0.49 -0.03 0.00 1.31 0.00 0.00 55.95 57.26 1rzn s SER 165 Cb 0.42 0.35 -0.02 0.00 0.21 0.00 0.00 66.02 66.98 1rzn s SER 165 CO 0.02 -0.70 -0.06 -0.63 0.41 0.00 0.00 173.24 172.29 1rzn s ILE 166 N -3.43 3.66 0.09 1.44 1.01 -1.13 -4.95 121.20 117.88 1rzn s ILE 166 Ca 0.01 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 1rzn s ILE 166 Cb 0.03 -2.60 -0.07 0.00 0.01 0.00 0.00 42.46 39.83 1rzn s ILE 166 CO -0.09 0.49 0.52 -0.13 0.00 0.00 0.00 174.94 175.73 1rzn s ARG 167 N 0.53 4.01 0.05 2.79 0.52 -1.26 0.66 118.95 126.25 1rzn s ARG 167 Ca -0.04 0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 55.64 1rzn s ARG 167 Cb -0.15 -3.08 0.02 0.00 0.52 0.00 0.00 34.95 32.27 1rzn s ARG 167 CO 0.03 0.57 0.36 1.17 0.02 0.00 0.00 175.30 177.45 1rzn n LYS 168 N 1.26 -0.08 -0.04 3.54 4.81 0.21 0.16 118.16 128.02 1rzn n LYS 168 Ca -0.09 0.36 -0.08 0.00 -0.87 0.00 0.00 58.31 57.63 1rzn n LYS 168 Cb 0.52 -0.53 0.08 0.00 0.02 0.00 0.00 35.03 35.12 1rzn n LYS 168 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1rzn h ASP 169 N 0.00 0.70 -0.09 3.14 2.03 -1.93 -0.78 116.42 119.49 1rzn h ASP 169 Ca 0.06 -0.30 0.04 0.00 -0.73 0.00 0.00 57.03 56.10 1rzn h ASP 169 Cb 0.12 -0.20 -0.06 0.00 -0.83 0.00 0.00 39.33 38.37 1rzn h ASP 169 CO -0.23 1.00 -0.30 -0.33 -1.03 0.00 0.00 179.24 178.35 1rzn h GLU 170 N 0.56 -0.38 -0.56 4.15 5.08 0.11 -2.08 114.58 121.46 1rzn h GLU 170 Ca 0.05 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1rzn h GLU 170 Cb 0.89 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1rzn h GLU 170 CO 0.08 -0.26 0.37 1.25 -1.00 0.00 0.00 179.01 179.45 1rzn h LEU 171 N -0.40 0.64 -0.93 1.33 5.85 -1.08 -1.57 115.31 119.15 1rzn h LEU 171 Ca 0.09 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1rzn h LEU 171 Cb 0.53 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1rzn h LEU 171 CO -0.31 0.46 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.66 1rzn h GLU 172 N 0.75 0.00 0.05 1.25 5.08 -0.50 -1.53 114.58 119.69 1rzn h GLU 172 Ca 0.20 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.26 1rzn h GLU 172 Cb -0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1rzn h GLU 172 CO -0.04 0.26 -1.72 0.93 -1.00 0.00 0.00 179.01 177.44 1rzn h GLU 173 N 0.00 0.11 0.06 2.33 5.08 -0.94 -3.42 114.58 117.80 1rzn h GLU 173 Ca -0.00 -0.19 -0.35 0.00 -1.00 0.00 0.00 59.36 57.82 1rzn h GLU 173 Cb 0.84 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1rzn h GLU 173 CO 0.03 0.81 -1.98 0.25 -1.00 0.00 0.00 179.01 177.12 1rzn n THR 174 N -3.24 1.65 -3.69 1.13 -2.24 -0.63 -4.99 114.28 102.27 1rzn n THR 174 Ca -0.20 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 60.80 1rzn n THR 174 Cb 1.04 -1.76 -0.04 0.00 -2.10 0.00 0.00 70.33 67.47 1rzn n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rzn s ALA 175 N -2.50 3.81 -0.05 6.98 0.00 -0.61 -4.80 121.76 124.59 1rzn s ALA 175 Ca -0.28 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 1rzn s ALA 175 Cb 0.08 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 1rzn s ALA 175 CO 0.67 0.63 0.37 0.71 0.00 0.00 0.00 175.76 178.14 1rzn s TYR 176 N -1.70 3.65 0.29 0.00 1.51 0.25 -4.74 117.35 116.61 1rzn s TYR 176 Ca 0.40 0.87 -0.29 0.00 -1.01 0.00 0.00 57.07 57.04 1rzn s TYR 176 Cb -0.12 -2.29 -0.10 0.00 -0.11 0.00 0.00 41.96 39.34 1rzn s TYR 176 CO 0.26 0.54 1.19 -1.25 -1.11 0.00 0.00 175.55 175.17 1rzn s PRO 177 N -0.63 4.52 -0.17 -1.71 0.04 -1.26 -0.72 135.00 135.08 1rzn s PRO 177 Ca 0.22 1.98 -0.08 0.00 0.04 0.00 0.00 61.00 63.15 1rzn s PRO 177 Cb -0.15 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1rzn s PRO 177 CO 0.10 0.03 0.11 0.42 0.04 0.00 0.00 177.00 177.71 1rzn s ILE 178 N -1.08 5.26 -0.03 0.56 1.01 0.30 -4.87 121.20 122.35 1rzn s ILE 178 Ca 0.47 0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.95 1rzn s ILE 178 Cb -0.35 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 1rzn s ILE 178 CO 0.45 0.50 1.97 -0.44 0.00 0.00 0.00 174.94 177.43 1rzn s SER 179 N -0.10 6.27 0.13 3.58 0.01 -1.26 -4.64 113.70 117.69 1rzn s SER 179 Ca 0.09 2.43 -0.19 0.00 1.31 0.00 0.00 55.95 59.59 1rzn s SER 179 Cb -0.12 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.52 1rzn s SER 179 CO 0.00 -1.23 0.62 -0.76 0.41 0.00 0.00 173.24 172.29 1rzn s LEU 180 N 5.20 4.46 0.00 2.44 1.43 -1.26 -2.51 118.68 128.44 1rzn s LEU 180 Ca 0.89 1.30 -0.08 0.00 -1.03 0.00 0.00 54.13 55.21 1rzn s LEU 180 Cb -0.39 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 42.69 1rzn s LEU 180 CO 0.39 0.18 0.60 0.61 0.23 0.00 0.00 176.35 178.36 1rzn n GLY 181 N 1.29 1.59 0.08 -3.19 0.00 -0.16 -4.99 105.19 99.81 1rzn n GLY 181 Ca -0.07 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1rzn n GLY 181 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rzn h TYR 182 N 1.94 -0.06 0.00 1.61 3.20 -1.98 -3.33 116.97 118.35 1rzn h TYR 182 Ca -0.29 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.58 1rzn h TYR 182 Cb 1.14 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1rzn h TYR 182 CO 0.00 0.52 0.00 0.00 -1.64 0.00 0.00 178.16 177.04 1rzn n ALA 183 N -2.46 0.00 -1.86 1.82 0.00 -1.26 -3.58 120.51 113.17 1rzn n ALA 183 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1rzn n ALA 183 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 1rzn n ALA 183 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rzn s PRO 184 N 0.00 4.18 0.28 0.00 0.04 -1.26 -4.77 135.00 133.47 1rzn s PRO 184 Ca 0.00 2.44 0.01 0.00 0.04 0.00 0.00 61.00 63.49 1rzn s PRO 184 Cb 0.00 -3.28 0.57 0.00 0.04 0.00 0.00 34.50 31.83 1rzn s PRO 184 CO 0.00 -0.69 1.79 0.00 0.04 0.00 0.00 177.00 178.14 1rzn h ARG 185 N 7.33 0.76 -3.72 4.56 3.08 -1.67 -3.30 114.38 121.43 1rzn h ARG 185 Ca -0.43 -0.05 -0.58 0.00 0.07 0.00 0.00 59.98 58.99 1rzn h ARG 185 Cb 1.20 -0.17 -0.40 0.00 0.08 0.00 0.00 29.97 30.68 1rzn h ARG 185 CO 0.93 0.51 -0.76 0.42 -1.07 0.00 0.00 179.97 180.00 1rzn s ILE 186 N -5.95 1.00 -1.30 2.04 1.01 -1.26 -0.99 121.20 115.76 1rzn s ILE 186 Ca -0.12 -1.35 -0.08 0.00 0.00 0.00 0.00 60.65 59.10 1rzn s ILE 186 Cb 0.22 -1.68 0.15 0.00 0.01 0.00 0.00 42.46 41.16 1rzn s ILE 186 CO 0.79 -0.56 2.08 -0.67 0.00 0.00 0.00 174.94 176.59 1rzn n ASP 187 N 4.81 6.36 0.18 3.58 2.03 -1.04 -4.63 116.55 127.83 1rzn n ASP 187 Ca -0.03 -3.13 0.04 0.00 0.52 0.00 0.00 54.79 52.18 1rzn n ASP 187 Cb 0.43 -1.42 0.32 0.00 -0.72 0.00 0.00 41.12 39.73 1rzn n ASP 187 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1rzn h TYR 188 N 5.26 0.00 0.00 -0.67 -0.00 -1.96 -2.99 116.97 116.61 1rzn h TYR 188 Ca 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.22 1rzn h TYR 188 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.22 1rzn h TYR 188 CO 1.39 0.42 -0.16 0.82 -0.00 0.00 0.00 178.16 180.64 1rzn h ILE 189 N 0.00 0.82 -0.71 -0.90 1.08 -1.99 -0.85 117.51 114.96 1rzn h ILE 189 Ca -0.00 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1rzn h ILE 189 Cb 0.86 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.94 1rzn h ILE 189 CO 0.05 0.16 0.40 -1.28 -0.69 0.00 0.00 178.15 176.80 1rzn h SER 190 N 0.00 0.88 0.22 1.72 0.87 -1.92 0.39 113.55 115.71 1rzn h SER 190 Ca -0.00 -0.08 -0.20 0.00 -1.23 0.00 0.00 61.79 60.28 1rzn h SER 190 Cb 0.35 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1rzn h SER 190 CO 0.02 0.71 -0.79 0.40 -0.53 0.00 0.00 176.83 176.64 1rzn h ILE 191 N 0.98 1.37 -0.49 2.23 2.04 -1.52 -2.36 117.51 119.75 1rzn h ILE 191 Ca 0.25 -2.19 -0.04 0.00 1.00 0.00 0.00 64.86 63.88 1rzn h ILE 191 Cb 0.01 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1rzn h ILE 191 CO -0.04 0.66 0.15 0.40 0.00 0.00 0.00 178.15 179.32 1rzn h ILE 192 N 0.30 1.23 -0.24 -0.67 2.04 -0.68 -2.70 117.51 116.79 1rzn h ILE 192 Ca -0.05 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.08 1rzn h ILE 192 Cb 1.39 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1rzn h ILE 192 CO 0.14 0.28 0.16 -0.08 0.00 0.00 0.00 178.15 178.65 1rzn h GLU 193 N 0.67 0.20 0.17 2.37 4.57 -0.16 -2.23 114.58 120.16 1rzn h GLU 193 Ca 0.16 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1rzn h GLU 193 Cb 0.28 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1rzn h GLU 193 CO -0.00 0.13 -0.08 1.96 -1.18 0.00 0.00 179.01 179.84 1rzn h GLN 194 N 0.21 -0.22 0.00 1.92 4.20 -1.28 -2.70 115.11 117.24 1rzn h GLN 194 Ca 0.10 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1rzn h GLN 194 Cb 0.15 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1rzn h GLN 194 CO -0.02 0.13 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.14 1rzn h LEU 195 N -0.96 0.00 0.00 1.46 3.38 -1.42 -3.35 115.31 114.41 1rzn h LEU 195 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rzn h LEU 195 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1rzn h LEU 195 CO 0.04 0.07 -0.55 -1.22 0.09 0.00 0.00 178.44 176.87 1rzn n TYR 196 N -3.92 0.00 -0.19 1.13 4.02 -0.85 -5.10 117.16 112.26 1rzn n TYR 196 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1rzn n TYR 196 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1rzn n TYR 196 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04