#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lov h ASP 3 N 5.86 0.00 -3.50 0.00 3.32 -1.48 -3.44 116.42 117.19 1lov h ASP 3 Ca -0.45 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.30 1lov h ASP 3 Cb 1.20 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.40 1lov h ASP 3 CO 0.70 0.88 -0.72 -0.31 -1.72 0.00 0.00 179.24 178.08 1lov s TYR 4 N -2.93 0.01 -0.22 4.55 2.02 -0.57 -4.97 117.35 115.25 1lov s TYR 4 Ca 0.01 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.88 1lov s TYR 4 Cb 0.10 -0.24 0.03 0.00 -0.40 0.00 0.00 41.96 41.45 1lov s TYR 4 CO 0.80 -0.10 -0.13 0.99 -1.57 0.00 0.00 175.55 175.53 1lov s THR 5 N 1.16 2.39 -0.53 -0.71 2.01 -1.26 -1.09 115.64 117.61 1lov s THR 5 Ca -0.08 -1.07 -0.03 0.00 0.31 0.00 0.00 61.69 60.81 1lov s THR 5 Cb -0.13 -2.15 0.14 0.00 0.01 0.00 0.00 72.50 70.37 1lov s THR 5 CO -0.03 0.33 0.35 0.00 -0.69 0.00 0.00 174.62 174.57 1lov n GLY 7 N 4.01 1.98 0.39 0.00 0.00 -1.26 -0.98 105.19 109.32 1lov n GLY 7 Ca 0.03 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1lov n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lov n SER 8 N 10.81 1.80 -4.77 1.61 7.64 -1.26 -4.96 113.62 124.49 1lov n SER 8 Ca 0.00 -1.40 -0.39 0.00 1.01 0.00 0.00 58.87 58.09 1lov n SER 8 Cb 0.00 0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 63.74 1lov n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1lov s ASN 9 N -2.57 7.08 -0.18 6.43 0.01 -0.15 -5.06 114.94 120.49 1lov s ASN 9 Ca 0.16 1.28 -0.03 0.00 -0.71 0.00 0.00 52.86 53.56 1lov s ASN 9 Cb 0.17 -2.40 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 1lov s ASN 9 CO 0.63 0.13 -0.05 0.00 -1.51 0.00 0.00 177.10 176.31 1lov s TYR 11 N 0.85 1.52 0.38 0.00 2.02 -0.25 -5.01 117.35 116.87 1lov s TYR 11 Ca -0.01 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.45 1lov s TYR 11 Cb -0.15 -0.98 -0.00 0.00 -0.40 0.00 0.00 41.96 40.43 1lov s TYR 11 CO 0.01 -0.03 0.54 -1.54 -1.57 0.00 0.00 175.55 172.97 1lov s SER 12 N -0.39 5.84 0.44 2.29 1.04 -1.26 -1.14 113.70 120.52 1lov s SER 12 Ca 0.06 -0.14 0.10 0.00 0.48 0.00 0.00 55.95 56.45 1lov s SER 12 Cb -0.07 -1.15 0.97 0.00 0.10 0.00 0.00 66.02 65.87 1lov s SER 12 CO -0.01 -0.58 2.07 0.28 0.98 0.00 0.00 173.24 175.98 1lov h SER 13 N 0.71 0.36 -0.44 7.02 0.02 -1.97 -1.76 113.55 117.49 1lov h SER 13 Ca -0.44 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.41 1lov h SER 13 Cb 1.26 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1lov h SER 13 CO 0.52 0.26 -0.03 0.77 -1.14 0.00 0.00 176.83 177.20 1lov h SER 14 N 0.42 0.85 -0.64 3.07 4.64 -1.99 -0.44 113.55 119.46 1lov h SER 14 Ca 0.14 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1lov h SER 14 Cb 0.04 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 1lov h SER 14 CO -0.03 0.93 0.36 0.44 -0.87 0.00 0.00 176.83 177.66 1lov h ASP 15 N 0.80 0.79 -0.37 4.97 3.32 -1.71 -1.50 116.42 122.72 1lov h ASP 15 Ca 0.15 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1lov h ASP 15 Cb 0.53 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1lov h ASP 15 CO 0.03 0.64 0.05 0.58 -1.72 0.00 0.00 179.24 178.82 1lov h VAL 16 N 0.87 1.24 -0.82 -1.35 2.07 -1.15 -1.95 116.25 115.16 1lov h VAL 16 Ca 0.23 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1lov h VAL 16 Cb 0.02 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1lov h VAL 16 CO -0.04 0.30 0.40 0.28 0.02 0.00 0.00 177.57 178.53 1lov h SER 17 N 0.45 1.07 -0.26 0.57 0.02 -0.88 0.08 113.55 114.60 1lov h SER 17 Ca 0.11 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1lov h SER 17 Cb 0.38 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1lov h SER 17 CO 0.01 0.90 0.06 0.74 -1.14 0.00 0.00 176.83 177.40 1lov h THR 18 N 1.16 1.22 -0.46 -2.27 2.02 -1.17 -1.22 112.91 112.19 1lov h THR 18 Ca 0.28 -0.72 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 1lov h THR 18 Cb 0.11 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1lov h THR 18 CO -0.04 0.23 0.11 0.00 0.37 0.00 0.00 175.52 176.20 1lov h ALA 19 N 0.88 0.61 -0.77 6.16 0.00 -1.14 -2.72 119.26 122.28 1lov h ALA 19 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1lov h ALA 19 Cb 0.29 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1lov h ALA 19 CO 0.00 0.30 0.48 0.37 0.00 0.00 0.00 179.25 180.40 1lov h GLN 20 N 0.62 1.03 -0.83 0.00 4.15 -0.87 -1.41 115.11 117.80 1lov h GLN 20 Ca 0.15 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1lov h GLN 20 Cb 0.33 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 1lov h GLN 20 CO 0.00 0.71 0.43 0.00 -1.93 0.00 0.00 178.83 178.04 1lov h ALA 21 N 1.26 1.20 -0.13 3.38 0.00 -1.09 0.12 119.26 124.00 1lov h ALA 21 Ca 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1lov h ALA 21 Cb -0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1lov h ALA 21 CO -0.06 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 1lov h ALA 22 N 1.30 0.18 -0.36 0.00 0.00 -1.15 -1.90 119.26 117.33 1lov h ALA 22 Ca 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1lov h ALA 22 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1lov h ALA 22 CO -0.04 -0.07 0.15 0.78 0.00 0.00 0.00 179.25 180.07 1lov h GLY 23 N -0.06 0.58 1.13 0.00 0.00 -1.00 -2.66 103.07 101.05 1lov h GLY 23 Ca 0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1lov h GLY 23 CO 0.01 0.29 0.21 -1.82 0.00 0.00 0.00 176.54 175.24 1lov h TYR 24 N 0.44 1.12 -0.33 5.60 3.20 -0.79 -1.96 116.97 124.25 1lov h TYR 24 Ca 0.12 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1lov h TYR 24 Cb 0.18 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 1lov h TYR 24 CO -0.00 0.89 0.10 -0.22 -1.64 0.00 0.00 178.16 177.28 1lov h LYS 25 N 1.04 0.22 -0.79 1.82 1.63 -1.20 0.68 116.57 119.97 1lov h LYS 25 Ca 0.23 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.98 1lov h LYS 25 Cb 0.30 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 1lov h LYS 25 CO -0.01 0.15 0.36 -0.07 -3.45 0.00 0.00 179.45 176.43 1lov h LEU 26 N 0.23 1.05 -0.34 5.20 3.38 -1.22 -1.00 115.31 122.60 1lov h LEU 26 Ca 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1lov h LEU 26 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1lov h LEU 26 CO -0.17 0.89 0.15 -0.74 0.09 0.00 0.00 178.44 178.66 1lov h HIS 27 N 1.13 0.51 -0.72 1.13 2.76 -0.58 0.48 115.15 119.87 1lov h HIS 27 Ca 0.27 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1lov h HIS 27 Cb 0.14 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 1lov h HIS 27 CO 0.02 0.47 0.28 0.93 -1.30 0.00 0.00 177.93 178.32 1lov h GLU 28 N 0.41 1.08 0.00 5.26 4.39 -0.60 -2.62 114.58 122.50 1lov h GLU 28 Ca 0.12 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1lov h GLU 28 Cb 0.16 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1lov h GLU 28 CO -0.01 0.90 0.00 -0.44 -1.16 0.00 0.00 179.01 178.30 1lov h ASP 29 N 1.03 0.00 -0.23 1.42 3.32 -1.01 -3.47 116.42 117.47 1lov h ASP 29 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1lov h ASP 29 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1lov h ASP 29 CO -0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.11 1lov n GLY 30 N 0.74 0.69 3.50 2.75 0.00 0.01 -5.08 105.19 107.81 1lov n GLY 30 Ca 0.03 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 1lov n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lov s GLU 31 N -3.81 1.73 0.13 1.61 2.02 -0.36 -5.04 118.70 114.99 1lov s GLU 31 Ca 0.00 -1.85 0.02 0.00 0.02 0.00 0.00 54.97 53.16 1lov s GLU 31 Cb 0.00 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 1lov s GLU 31 CO 0.00 0.21 -0.04 0.95 0.02 0.00 0.00 175.26 176.40 1lov s THR 32 N -2.60 0.73 0.02 3.63 -4.23 -1.26 -4.40 115.64 107.53 1lov s THR 32 Ca 0.31 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1lov s THR 32 Cb -0.01 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.96 1lov s THR 32 CO 0.15 -0.71 -0.03 0.54 -0.54 0.00 0.00 174.62 174.03 1lov s VAL 33 N -3.61 0.12 0.00 2.29 0.11 -0.10 -4.90 120.40 114.31 1lov s VAL 33 Ca 0.17 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 1lov s VAL 33 Cb 0.05 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 1lov s VAL 33 CO -0.01 -0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 1lov n GLY 34 N 2.05 -0.66 0.24 6.54 0.00 -1.26 -1.13 105.19 110.97 1lov n GLY 34 Ca -0.20 -1.62 0.10 0.00 0.00 0.00 0.00 46.02 44.31 1lov n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lov h SER 35 N 0.00 0.00 -0.15 1.61 0.02 -1.99 -1.36 113.55 111.67 1lov h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lov h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1lov h SER 35 CO 0.00 0.17 0.00 0.59 -1.14 0.00 0.00 176.83 176.45 1lov n ASN 36 N -3.74 1.45 -3.38 3.07 3.02 -1.26 -4.98 115.26 109.44 1lov n ASN 36 Ca -0.02 -1.69 -0.12 0.00 -0.03 0.00 0.00 54.58 52.72 1lov n ASN 36 Cb 0.28 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1lov n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1lov n SER 37 N 0.18 -6.48 -4.88 6.41 7.64 -0.51 -4.91 113.62 111.07 1lov n SER 37 Ca 0.15 -0.42 -0.32 0.00 1.01 0.00 0.00 58.87 59.30 1lov n SER 37 Cb 0.29 -3.65 -0.05 0.00 -1.01 0.00 0.00 64.21 59.79 1lov n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1lov s TYR 38 N -2.91 3.44 0.57 1.43 2.02 -0.28 -4.15 117.35 117.47 1lov s TYR 38 Ca 0.03 0.78 -0.18 0.00 -0.37 0.00 0.00 57.07 57.33 1lov s TYR 38 Cb -0.01 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1lov s TYR 38 CO 0.82 0.33 1.09 -1.25 -1.57 0.00 0.00 175.55 174.96 1lov s PRO 39 N -2.75 3.31 -0.02 -1.71 0.04 -1.26 -0.92 135.00 131.69 1lov s PRO 39 Ca 0.45 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 1lov s PRO 39 Cb -0.12 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1lov s PRO 39 CO 0.22 -0.84 0.12 -1.01 0.04 0.00 0.00 177.00 175.53 1lov s HIS 40 N -2.12 3.41 0.20 0.56 3.76 -0.47 -4.90 115.29 115.73 1lov s HIS 40 Ca 0.68 0.29 -0.30 0.00 -0.15 0.00 0.00 55.06 55.58 1lov s HIS 40 Cb -0.19 -1.79 -0.08 0.00 1.11 0.00 0.00 32.58 31.62 1lov s HIS 40 CO 0.31 0.60 1.23 0.21 -0.85 0.00 0.00 174.74 176.25 1lov s LYS 41 N -1.72 4.46 -0.23 1.40 2.20 -1.26 0.11 119.74 124.70 1lov s LYS 41 Ca 0.23 1.95 -0.05 0.00 -0.36 0.00 0.00 55.97 57.74 1lov s LYS 41 Cb -0.12 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1lov s LYS 41 CO 0.14 -0.13 -0.01 -0.47 -0.36 0.00 0.00 175.35 174.52 1lov s TYR 42 N -0.12 3.00 -0.62 4.03 5.04 0.25 -4.77 117.35 124.16 1lov s TYR 42 Ca 0.53 -0.77 0.25 0.00 -2.44 0.00 0.00 57.07 54.64 1lov s TYR 42 Cb -0.34 -2.14 0.54 0.00 0.35 0.00 0.00 41.96 40.37 1lov s TYR 42 CO 0.38 -0.48 1.57 -0.91 -1.34 0.00 0.00 175.55 174.78 1lov h ASN 43 N 8.11 0.00 -5.52 4.32 2.35 -1.94 -3.34 115.58 119.56 1lov h ASN 43 Ca -0.40 -0.06 -0.34 0.00 -0.55 0.00 0.00 56.30 54.96 1lov h ASN 43 Cb 1.17 0.00 0.15 0.00 0.05 0.00 0.00 38.32 39.69 1lov h ASN 43 CO 0.60 0.03 -0.71 -3.20 -1.65 0.00 0.00 177.43 172.50 1lov n ASN 44 N -2.42 -3.33 0.21 5.81 5.15 -1.26 -4.89 115.26 114.53 1lov n ASN 44 Ca 0.04 -0.57 0.05 0.00 -0.60 0.00 0.00 54.58 53.50 1lov n ASN 44 Cb 0.46 -4.89 0.49 0.00 -0.53 0.00 0.00 39.78 35.31 1lov n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1lov h TYR 45 N -2.05 0.04 -0.31 1.20 0.05 -2.00 -1.52 116.97 112.37 1lov h TYR 45 Ca -0.56 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.27 1lov h TYR 45 Cb 1.33 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 39.05 1lov h TYR 45 CO 0.44 0.21 0.21 0.93 -1.05 0.00 0.00 178.16 178.90 1lov h GLU 46 N 0.03 0.18 -0.25 4.88 3.07 -1.94 -3.46 114.58 117.09 1lov h GLU 46 Ca 0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1lov h GLU 46 Cb 0.33 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1lov h GLU 46 CO 0.02 0.12 0.00 0.41 -1.40 0.00 0.00 179.01 178.16 1lov n GLY 47 N -1.54 0.81 3.76 -3.84 0.00 -0.57 -5.03 105.19 98.76 1lov n GLY 47 Ca 0.03 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1lov n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lov s PHE 48 N -2.25 2.52 -1.36 1.61 0.08 -1.26 -4.91 117.98 112.41 1lov s PHE 48 Ca 0.00 1.41 -0.11 0.00 0.12 0.00 0.00 56.93 58.35 1lov s PHE 48 Cb 0.00 -3.68 0.11 0.00 -0.57 0.00 0.00 43.02 38.88 1lov s PHE 48 CO 0.00 -2.43 2.04 -0.40 -0.10 0.00 0.00 175.22 174.33 1lov n ASP 49 N -0.69 4.60 -4.77 1.36 5.68 -1.26 -4.98 116.55 116.49 1lov n ASP 49 Ca 0.08 -3.00 -0.39 0.00 -0.50 0.00 0.00 54.79 50.99 1lov n ASP 49 Cb 0.45 -1.55 -0.03 0.00 -1.14 0.00 0.00 41.12 38.85 1lov n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1lov s PHE 50 N 1.56 3.32 -1.62 2.11 0.08 -1.26 -4.94 117.98 117.23 1lov s PHE 50 Ca 0.43 1.63 0.27 0.00 0.12 0.00 0.00 56.93 59.38 1lov s PHE 50 Cb 0.12 -3.29 0.97 0.00 -0.57 0.00 0.00 43.02 40.25 1lov s PHE 50 CO -0.04 -0.85 1.70 -1.13 -0.10 0.00 0.00 175.22 174.81 1lov n SER 51 N 0.48 0.70 -4.63 1.36 3.41 -1.26 -4.87 113.62 108.81 1lov n SER 51 Ca 0.02 -0.65 -0.27 0.00 -0.26 0.00 0.00 58.87 57.72 1lov n SER 51 Cb 0.47 0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 1lov n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1lov s VAL 52 N -2.54 3.54 0.55 -3.33 -7.23 -1.26 -5.12 120.40 105.01 1lov s VAL 52 Ca 0.25 -1.47 -0.17 0.00 -1.81 0.00 0.00 61.98 58.79 1lov s VAL 52 Cb 0.19 -2.76 -0.06 0.00 0.56 0.00 0.00 36.38 34.32 1lov s VAL 52 CO 0.51 -0.08 1.03 -0.55 -0.31 0.00 0.00 175.10 175.70 1lov s SER 53 N -2.83 6.16 0.88 4.85 0.15 -1.26 -5.04 113.70 116.61 1lov s SER 53 Ca 0.26 1.74 -0.11 0.00 0.70 0.00 0.00 55.95 58.54 1lov s SER 53 Cb -0.09 -2.53 0.17 0.00 -1.71 0.00 0.00 66.02 61.86 1lov s SER 53 CO 0.17 -0.91 1.21 -0.94 1.20 0.00 0.00 173.24 173.98 1lov s SER 54 N -2.80 3.57 0.68 5.45 1.04 -1.26 -4.68 113.70 115.71 1lov s SER 54 Ca 0.62 0.11 -0.16 0.00 0.48 0.00 0.00 55.95 57.00 1lov s SER 54 Cb -0.14 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.72 1lov s SER 54 CO 0.33 -2.42 1.18 -2.84 0.98 0.00 0.00 173.24 170.47 1lov s PRO 55 N -5.64 2.47 0.21 4.02 0.02 -1.26 -4.82 135.00 130.00 1lov s PRO 55 Ca 0.71 1.68 0.09 0.00 0.02 0.00 0.00 61.00 63.50 1lov s PRO 55 Cb -0.05 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1lov s PRO 55 CO 0.50 -1.57 -0.03 0.71 -0.33 0.00 0.00 177.00 176.29 1lov s TYR 56 N -1.99 2.72 0.00 6.54 2.02 -1.25 -2.73 117.35 122.66 1lov s TYR 56 Ca 0.73 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 57.24 1lov s TYR 56 Cb -0.27 -1.28 -0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1lov s TYR 56 CO 0.42 0.55 -0.03 0.71 -1.57 0.00 0.00 175.55 175.64 1lov s TYR 57 N -1.95 0.24 -0.10 2.71 2.02 0.21 -0.59 117.35 119.90 1lov s TYR 57 Ca 0.28 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.89 1lov s TYR 57 Cb -0.08 -0.15 -0.03 0.00 -0.40 0.00 0.00 41.96 41.30 1lov s TYR 57 CO 0.18 -0.01 -0.04 0.00 -1.57 0.00 0.00 175.55 174.11 1lov s ALA 58 N -0.16 3.07 -0.01 3.71 0.00 0.12 -1.64 121.76 126.84 1lov s ALA 58 Ca -0.00 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1lov s ALA 58 Cb -0.02 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.72 1lov s ALA 58 CO -0.00 0.47 -0.02 -0.46 0.00 0.00 0.00 175.76 175.76 1lov s TRP 59 N -0.48 0.25 0.31 0.00 -0.11 -0.48 -1.36 118.94 117.07 1lov s TRP 59 Ca 0.08 -0.02 -0.29 0.00 1.22 0.00 0.00 56.10 57.08 1lov s TRP 59 Cb -0.12 -0.24 -0.10 0.00 -1.50 0.00 0.00 33.47 31.51 1lov s TRP 59 CO 0.02 -0.05 1.37 -2.14 -4.62 0.00 0.00 176.95 171.53 1lov s PRO 60 N 0.34 4.29 -0.09 5.86 0.02 -1.26 -0.30 135.00 143.86 1lov s PRO 60 Ca -0.03 2.29 0.04 0.00 0.02 0.00 0.00 61.00 63.32 1lov s PRO 60 Cb -0.06 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.39 1lov s PRO 60 CO -0.01 -0.30 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.64 1lov s ILE 61 N -0.82 2.33 -0.12 2.83 2.07 -0.96 -4.54 121.20 121.99 1lov s ILE 61 Ca 0.52 -0.94 -0.04 0.00 -1.41 0.00 0.00 60.65 58.78 1lov s ILE 61 Cb -0.41 -1.90 -0.04 0.00 0.13 0.00 0.00 42.46 40.24 1lov s ILE 61 CO 0.52 0.56 0.04 -0.76 -1.91 0.00 0.00 174.94 173.38 1lov s LEU 62 N 0.18 3.75 0.44 8.50 1.43 -1.26 -4.48 118.68 127.23 1lov s LEU 62 Ca -0.12 0.16 0.30 0.00 -1.03 0.00 0.00 54.13 53.44 1lov s LEU 62 Cb -0.16 -1.89 1.37 0.00 0.03 0.00 0.00 46.19 45.54 1lov s LEU 62 CO 0.07 0.32 1.91 0.77 0.23 0.00 0.00 176.35 179.64 1lov h SER 63 N 5.64 0.00 1.05 2.29 4.64 -1.95 -2.11 113.55 123.12 1lov h SER 63 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1lov h SER 63 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1lov h SER 63 CO 0.60 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.33 1lov h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.98 -3.47 113.55 117.72 1lov h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lov h SER 64 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1lov h SER 64 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1lov n GLY 65 N 0.44 2.62 3.82 -0.77 0.00 -0.79 -5.05 105.19 105.45 1lov n GLY 65 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1lov n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lov s ASP 66 N -1.34 5.82 0.06 1.61 1.01 -1.26 -4.99 116.67 117.58 1lov s ASP 66 Ca 0.00 1.70 -0.23 0.00 0.71 0.00 0.00 52.55 54.73 1lov s ASP 66 Cb 0.00 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 1lov s ASP 66 CO 0.00 -1.14 0.70 -0.69 0.21 0.00 0.00 175.17 174.25 1lov s VAL 67 N -2.70 4.71 0.20 -1.27 1.01 -1.26 -4.25 120.40 116.84 1lov s VAL 67 Ca 0.61 1.49 -0.33 0.00 0.00 0.00 0.00 61.98 63.75 1lov s VAL 67 Cb -0.14 -4.04 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 1lov s VAL 67 CO 0.42 0.43 1.68 0.00 0.00 0.00 0.00 175.10 177.64 1lov n TYR 68 N 2.40 2.62 -1.75 5.22 9.36 -1.26 -4.87 117.16 128.88 1lov n TYR 68 Ca -0.05 0.10 0.01 0.00 3.32 0.00 0.00 57.90 61.28 1lov n TYR 68 Cb 0.50 -2.64 0.02 0.00 -0.63 0.00 0.00 39.34 36.59 1lov n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1lov n SER 69 N 3.81 0.31 0.00 2.98 3.41 -1.26 -5.07 113.62 117.81 1lov n SER 69 Ca 0.16 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1lov n SER 69 Cb 0.33 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1lov n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lov n GLY 70 N -0.18 2.74 4.85 5.00 0.00 -1.26 -4.77 105.19 111.57 1lov n GLY 70 Ca 0.02 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1lov n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lov n GLY 71 N -1.07 -1.81 3.66 -0.02 0.00 -1.26 -4.85 105.19 99.83 1lov n GLY 71 Ca 0.00 -1.58 -0.46 0.00 0.00 0.00 0.00 46.02 43.98 1lov n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lov n SER 72 N 0.37 3.59 -0.01 1.61 2.88 -1.26 -4.88 113.62 115.92 1lov n SER 72 Ca 0.00 0.86 0.14 0.00 -1.33 0.00 0.00 58.87 58.54 1lov n SER 72 Cb 0.00 -1.43 0.61 0.00 -0.75 0.00 0.00 64.21 62.64 1lov n SER 72 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1lov n PRO 73 N 7.19 0.18 0.00 -1.46 -0.04 -1.26 -5.05 135.00 134.56 1lov n PRO 73 Ca 0.23 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1lov n PRO 73 Cb 0.34 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1lov n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lov n GLY 74 N 1.42 -1.22 0.13 0.55 0.00 -1.26 -4.42 105.19 100.40 1lov n GLY 74 Ca 0.09 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 44.98 1lov n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lov n ALA 75 N 0.89 3.80 -2.85 4.61 0.00 -1.26 -5.00 120.51 120.70 1lov n ALA 75 Ca 0.00 -0.49 -0.34 0.00 0.00 0.00 0.00 53.44 52.61 1lov n ALA 75 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 1lov n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1lov s ASP 76 N -2.33 6.42 0.01 0.00 1.01 -1.26 -1.36 116.67 119.15 1lov s ASP 76 Ca 0.09 0.44 0.00 0.00 0.71 0.00 0.00 52.55 53.79 1lov s ASP 76 Cb 0.13 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 42.00 1lov s ASP 76 CO 0.58 0.28 -0.02 -0.13 0.21 0.00 0.00 175.17 176.09 1lov s ARG 77 N -1.72 0.21 -0.13 8.23 1.81 0.07 -2.27 118.95 125.16 1lov s ARG 77 Ca 0.25 -0.33 -0.06 0.00 -1.72 0.00 0.00 55.73 53.87 1lov s ARG 77 Cb -0.13 -0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 1lov s ARG 77 CO 0.15 -0.00 0.10 0.14 -0.68 0.00 0.00 175.30 175.01 1lov s VAL 78 N -0.72 5.18 -0.17 3.52 -7.23 0.59 -1.19 120.40 120.39 1lov s VAL 78 Ca -0.07 0.09 -0.01 0.00 -1.81 0.00 0.00 61.98 60.18 1lov s VAL 78 Cb -0.05 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 1lov s VAL 78 CO -0.00 0.58 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.55 1lov s VAL 79 N -0.66 2.93 0.18 1.32 1.01 -0.03 -1.38 120.40 123.76 1lov s VAL 79 Ca 0.12 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1lov s VAL 79 Cb -0.12 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1lov s VAL 79 CO 0.02 0.49 -0.05 0.72 0.00 0.00 0.00 175.10 176.29 1lov s PHE 80 N 0.91 1.34 0.35 5.22 -0.12 -0.65 -0.28 117.98 124.75 1lov s PHE 80 Ca -0.03 -0.87 0.05 0.00 -0.05 0.00 0.00 56.93 56.03 1lov s PHE 80 Cb -0.15 -0.74 0.05 0.00 -0.63 0.00 0.00 43.02 41.55 1lov s PHE 80 CO -0.01 -0.02 0.38 0.27 -0.05 0.00 0.00 175.22 175.79 1lov n ASN 81 N -0.28 1.66 0.28 1.98 0.23 -0.49 -0.61 115.26 118.03 1lov n ASN 81 Ca -0.08 -2.05 0.14 0.00 -0.53 0.00 0.00 54.58 52.07 1lov n ASN 81 Cb 0.62 -0.15 0.86 0.00 -2.08 0.00 0.00 39.78 39.03 1lov n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1lov h GLU 82 N 0.00 0.00 -0.54 -3.83 4.57 -1.79 -1.14 114.58 111.85 1lov h GLU 82 Ca -0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1lov h GLU 82 Cb 0.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1lov h GLU 82 CO 0.28 0.00 0.00 -1.71 -1.18 0.00 0.00 179.01 176.40 1lov n ASN 83 N -3.96 2.93 -2.45 1.04 4.05 -1.26 -4.92 115.26 110.69 1lov n ASN 83 Ca -0.02 -2.07 -0.17 0.00 0.45 0.00 0.00 54.58 52.77 1lov n ASN 83 Cb 0.12 -0.38 0.04 0.00 1.23 0.00 0.00 39.78 40.79 1lov n ASN 83 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1lov n ASN 84 N 0.95 -5.08 -4.71 1.20 4.05 -0.43 -5.01 115.26 106.23 1lov n ASN 84 Ca 0.18 -0.27 -0.35 0.00 0.45 0.00 0.00 54.58 54.58 1lov n ASN 84 Cb 0.49 -3.85 -0.09 0.00 1.23 0.00 0.00 39.78 37.56 1lov n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1lov s GLN 85 N -5.57 3.39 -0.04 1.20 -0.21 -1.26 -4.88 119.66 112.29 1lov s GLN 85 Ca 0.29 -0.32 -0.30 0.00 0.02 0.00 0.00 55.36 55.04 1lov s GLN 85 Cb -0.13 -3.01 -0.05 0.00 1.00 0.00 0.00 33.01 30.83 1lov s GLN 85 CO 0.36 0.59 1.38 -1.17 -2.12 0.00 0.00 175.29 174.33 1lov s LEU 86 N -0.55 4.29 -0.16 2.90 2.96 -1.26 -1.39 118.68 125.48 1lov s LEU 86 Ca 0.10 2.02 -0.08 0.00 -0.22 0.00 0.00 54.13 55.95 1lov s LEU 86 Cb -0.12 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.78 1lov s LEU 86 CO 0.02 -0.73 0.23 0.00 -1.32 0.00 0.00 176.35 174.56 1lov n ALA 87 N 5.73 0.96 0.00 5.97 0.00 0.61 -4.83 120.51 128.95 1lov n ALA 87 Ca 0.13 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1lov n ALA 87 Cb 0.44 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1lov n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lov n GLY 88 N 1.93 -2.10 3.07 0.00 0.00 -1.08 -4.68 105.19 102.33 1lov n GLY 88 Ca -0.35 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 1lov n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lov s VAL 89 N -2.19 1.59 0.30 1.61 1.01 -1.26 -0.85 120.40 120.60 1lov s VAL 89 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1lov s VAL 89 Cb 0.00 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.87 1lov s VAL 89 CO 0.00 0.46 -0.04 0.27 0.00 0.00 0.00 175.10 175.79 1lov s ILE 90 N 1.00 1.64 0.02 2.22 -4.36 -0.33 -1.03 121.20 120.36 1lov s ILE 90 Ca -0.06 -2.10 -0.15 0.00 -0.26 0.00 0.00 60.65 58.08 1lov s ILE 90 Cb -0.15 -2.56 0.03 0.00 1.25 0.00 0.00 42.46 41.02 1lov s ILE 90 CO -0.02 -0.22 0.33 0.28 0.24 0.00 0.00 174.94 175.55 1lov s THR 91 N -3.01 0.07 -0.50 8.37 -1.32 -0.35 -0.75 115.64 118.14 1lov s THR 91 Ca 0.31 -0.54 0.24 0.00 -1.21 0.00 0.00 61.69 60.49 1lov s THR 91 Cb 0.05 -0.81 0.27 0.00 -1.51 0.00 0.00 72.50 70.50 1lov s THR 91 CO 0.13 -0.30 1.57 0.45 -2.21 0.00 0.00 174.62 174.26 1lov h HIS 92 N 3.44 0.00 -2.68 9.09 3.86 -1.43 -1.36 115.15 126.08 1lov h HIS 92 Ca -0.31 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.37 1lov h HIS 92 Cb 1.19 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.69 1lov h HIS 92 CO 0.47 0.00 1.00 0.99 0.86 0.00 0.00 177.93 181.26 1lov s THR 93 N -3.20 2.82 0.00 2.45 2.01 -1.26 -1.68 115.64 116.78 1lov s THR 93 Ca 0.07 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1lov s THR 93 Cb 0.08 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1lov s THR 93 CO 0.67 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.21 1lov n GLY 94 N 4.00 0.56 3.41 4.40 0.00 -1.26 -4.78 105.19 111.52 1lov n GLY 94 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1lov n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lov s ALA 95 N -2.13 2.45 0.30 4.61 0.00 -0.68 -4.95 121.76 121.37 1lov s ALA 95 Ca 0.00 -1.38 -0.28 0.00 0.00 0.00 0.00 51.96 50.30 1lov s ALA 95 Cb 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 1lov s ALA 95 CO 0.00 0.55 1.08 -1.54 0.00 0.00 0.00 175.76 175.86 1lov s SER 96 N -1.86 7.19 1.20 0.00 1.04 -1.26 -4.76 113.70 115.24 1lov s SER 96 Ca 0.15 2.21 0.00 0.00 0.48 0.00 0.00 55.95 58.79 1lov s SER 96 Cb -0.10 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1lov s SER 96 CO 0.06 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1lov n GLY 97 N 1.05 3.28 1.83 7.32 0.00 -1.26 -1.28 105.19 116.13 1lov n GLY 97 Ca -0.00 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1lov n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lov n ASN 98 N 4.20 5.61 -4.76 1.61 5.03 -1.26 -4.97 115.26 120.71 1lov n ASN 98 Ca 0.00 -2.96 -0.29 0.00 0.87 0.00 0.00 54.58 52.20 1lov n ASN 98 Cb 0.00 -0.68 0.11 0.00 -1.02 0.00 0.00 39.78 38.19 1lov n ASN 98 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1lov s ASN 99 N -0.88 4.08 0.19 6.41 0.02 -0.40 -5.03 114.94 119.33 1lov s ASN 99 Ca 0.54 0.75 0.09 0.00 -1.02 0.00 0.00 52.86 53.21 1lov s ASN 99 Cb 0.41 -1.19 -0.04 0.00 0.02 0.00 0.00 41.25 40.45 1lov s ASN 99 CO 0.15 -2.17 -0.17 -0.36 0.02 0.00 0.00 177.10 174.57 1lov s PHE 100 N -3.55 1.84 0.08 2.20 0.08 -1.26 -4.41 117.98 112.96 1lov s PHE 100 Ca 0.64 -0.49 0.03 0.00 0.12 0.00 0.00 56.93 57.23 1lov s PHE 100 Cb -0.11 -0.88 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 1lov s PHE 100 CO 0.50 0.38 -0.09 0.14 -0.10 0.00 0.00 175.22 176.05 1lov s VAL 101 N -2.39 0.82 0.43 -0.44 -7.23 -0.51 -4.95 120.40 106.13 1lov s VAL 101 Ca 0.19 -1.56 -0.22 0.00 -1.81 0.00 0.00 61.98 58.59 1lov s VAL 101 Cb -0.04 -1.24 -0.10 0.00 0.56 0.00 0.00 36.38 35.56 1lov s VAL 101 CO 0.08 -0.56 0.99 -1.61 -0.31 0.00 0.00 175.10 173.69 1lov s GLU 102 N -2.67 4.12 0.33 4.82 2.02 -1.26 -1.22 118.70 124.84 1lov s GLU 102 Ca 0.03 1.28 -0.23 0.00 0.02 0.00 0.00 54.97 56.07 1lov s GLU 102 Cb -0.03 -2.27 -0.10 0.00 0.10 0.00 0.00 34.13 31.83 1lov s GLU 102 CO -0.01 -0.14 0.89 0.00 0.02 0.00 0.00 175.26 176.02