#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgp n LYS 25 N 0.00 2.71 0.00 1.97 -0.00 -1.26 -4.74 118.16 116.84 3mgp n LYS 25 Ca 0.00 -2.07 0.00 0.00 -0.00 0.00 0.00 58.31 56.24 3mgp n LYS 25 Cb 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 35.03 33.73 3mgp n LYS 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3mgp n ARG 26 N 0.67 0.00 0.00 -1.58 0.63 -1.26 -4.39 116.66 110.72 3mgp n ARG 26 Ca 0.13 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.07 3mgp n ARG 26 Cb 0.44 -0.19 0.04 0.00 0.45 0.00 0.00 32.46 33.20 3mgp n ARG 26 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3mgp n ARG 27 N -0.26 0.03 -2.49 -0.14 5.12 -1.26 -4.13 116.66 113.53 3mgp n ARG 27 Ca 0.00 0.22 -0.42 0.00 -1.93 0.00 0.00 57.85 55.72 3mgp n ARG 27 Cb 0.00 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.78 3mgp n ARG 27 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3mgp s LYS 28 N -2.47 3.42 -0.31 5.56 2.20 -1.26 -4.93 119.74 121.95 3mgp s LYS 28 Ca 0.02 0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 55.95 3mgp s LYS 28 Cb 0.01 -4.06 0.04 0.00 -1.51 0.00 0.00 37.83 32.31 3mgp s LYS 28 CO 0.02 -1.79 0.05 0.99 -0.36 0.00 0.00 175.35 174.26 3mgp s THR 29 N 5.47 3.42 -0.18 3.43 2.01 -1.26 -4.96 115.64 123.56 3mgp s THR 29 Ca 0.48 -1.20 -0.35 0.00 0.31 0.00 0.00 61.69 60.93 3mgp s THR 29 Cb -0.09 -2.92 -0.12 0.00 0.01 0.00 0.00 72.50 69.38 3mgp s THR 29 CO 0.25 -0.11 1.93 0.54 -0.69 0.00 0.00 174.62 176.55 3mgp n ARG 30 N 4.73 1.77 -3.34 4.92 1.74 -1.26 -4.94 116.66 120.28 3mgp n ARG 30 Ca -0.13 0.62 -0.44 0.00 -0.77 0.00 0.00 57.85 57.13 3mgp n ARG 30 Cb 0.44 -2.54 -0.07 0.00 -1.02 0.00 0.00 32.46 29.27 3mgp n ARG 30 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3mgp s LYS 31 N 4.48 3.01 0.25 5.56 2.47 -1.26 -5.08 119.74 129.17 3mgp s LYS 31 Ca 0.97 -1.23 -0.13 0.00 -1.56 0.00 0.00 55.97 54.02 3mgp s LYS 31 Cb -0.78 -4.12 -0.08 0.00 -1.46 0.00 0.00 37.83 31.40 3mgp s LYS 31 CO 0.53 -1.05 0.64 -1.83 0.16 0.00 0.00 175.35 173.80 3mgp s GLU 32 N 1.85 3.95 0.25 4.03 -1.05 -1.26 -5.08 118.70 121.38 3mgp s GLU 32 Ca 0.06 0.51 -0.10 0.00 -0.15 0.00 0.00 54.97 55.30 3mgp s GLU 32 Cb -0.23 -2.63 -0.01 0.00 -0.44 0.00 0.00 34.13 30.82 3mgp s GLU 32 CO 0.08 0.29 0.41 -1.54 0.95 0.00 0.00 175.26 175.45 3mgp s SER 33 N -2.16 0.02 0.00 0.83 1.04 -1.26 -5.04 113.70 107.13 3mgp s SER 33 Ca 0.48 -1.06 0.29 0.00 0.48 0.00 0.00 55.95 56.14 3mgp s SER 33 Cb -0.12 0.55 1.23 0.00 0.10 0.00 0.00 66.02 67.78 3mgp s SER 33 CO 0.19 -1.10 1.85 -1.22 0.98 0.00 0.00 173.24 173.94 3mgp n TYR 34 N -0.37 0.00 -0.34 5.02 4.02 -1.26 -4.58 117.16 119.64 3mgp n TYR 34 Ca -0.01 0.00 0.22 0.00 -0.01 0.00 0.00 57.90 58.10 3mgp n TYR 34 Cb 0.63 -0.05 0.45 0.00 -0.02 0.00 0.00 39.34 40.34 3mgp n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mgp h ALA 35 N 4.04 1.98 0.01 -0.72 0.00 -1.96 0.56 119.26 123.16 3mgp h ALA 35 Ca 0.00 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 3mgp h ALA 35 Cb 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3mgp h ALA 35 CO 0.00 -0.49 -0.88 -0.84 0.00 0.00 0.00 179.25 177.04 3mgp h ILE 36 N 0.44 1.55 0.06 0.00 3.07 -1.99 -2.07 117.51 118.58 3mgp h ILE 36 Ca 0.67 -2.79 -0.24 0.00 1.55 0.00 0.00 64.86 64.06 3mgp h ILE 36 Cb 1.49 2.54 -0.01 0.00 -0.27 0.00 0.00 36.82 40.57 3mgp h ILE 36 CO -0.48 0.80 -1.08 1.88 -1.05 0.00 0.00 178.15 178.23 3mgp h TYR 37 N 0.05 0.33 -0.35 0.16 -1.99 -1.39 -2.02 116.97 111.75 3mgp h TYR 37 Ca -0.03 -0.22 -0.02 0.00 2.00 0.00 0.00 58.73 60.46 3mgp h TYR 37 Cb 1.53 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 40.22 3mgp h TYR 37 CO 0.02 1.13 0.13 0.28 -0.00 0.00 0.00 178.16 179.72 3mgp h VAL 38 N 0.07 1.19 -0.79 -2.88 2.07 -1.01 -2.82 116.25 112.08 3mgp h VAL 38 Ca -0.08 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3mgp h VAL 38 Cb 1.79 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 3mgp h VAL 38 CO 0.17 0.21 0.43 0.22 0.02 0.00 0.00 177.57 178.62 3mgp h TYR 39 N 0.42 1.08 0.04 1.57 3.20 -1.32 -0.88 116.97 121.07 3mgp h TYR 39 Ca 0.12 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.98 3mgp h TYR 39 Cb 0.20 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3mgp h TYR 39 CO -0.00 0.75 -0.17 0.87 -1.64 0.00 0.00 178.16 177.97 3mgp h LYS 40 N 1.11 -0.29 -0.05 1.82 1.57 -1.31 -2.67 116.57 116.75 3mgp h LYS 40 Ca 0.28 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3mgp h LYS 40 Cb 0.03 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3mgp h LYS 40 CO -0.05 -0.19 -0.07 0.28 -0.57 0.00 0.00 179.45 178.85 3mgp h VAL 41 N -0.30 1.09 -0.61 0.50 2.07 -1.21 -1.96 116.25 115.83 3mgp h VAL 41 Ca 0.04 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.21 3mgp h VAL 41 Cb 0.35 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3mgp h VAL 41 CO -0.13 0.12 0.37 0.25 0.02 0.00 0.00 177.57 178.20 3mgp h LEU 42 N 0.08 0.61 -0.47 2.57 5.85 -0.83 -2.71 115.31 120.40 3mgp h LEU 42 Ca 0.02 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.57 3mgp h LEU 42 Cb 0.18 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3mgp h LEU 42 CO 0.01 0.42 -0.70 0.11 -0.34 0.00 0.00 178.44 177.94 3mgp h LYS 43 N 0.73 0.34 -0.08 1.25 1.79 -1.14 0.42 116.57 119.88 3mgp h LYS 43 Ca 0.25 -0.27 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3mgp h LYS 43 Cb 0.03 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3mgp h LYS 43 CO -0.11 0.90 -0.07 1.96 -1.08 0.00 0.00 179.45 181.06 3mgp h GLN 44 N 0.23 0.12 0.00 3.15 4.20 -1.43 -3.05 115.11 118.34 3mgp h GLN 44 Ca -0.02 -0.02 -0.26 0.00 0.06 0.00 0.00 58.65 58.41 3mgp h GLN 44 Cb 1.25 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.96 3mgp h GLN 44 CO 0.11 0.20 -2.05 1.33 -0.67 0.00 0.00 178.83 177.75 3mgp n VAL 45 N -4.39 0.98 -3.10 -0.54 0.24 -1.00 -4.85 118.33 105.67 3mgp n VAL 45 Ca -0.02 -0.64 -0.14 0.00 -2.04 0.00 0.00 64.34 61.50 3mgp n VAL 45 Cb 0.19 -0.52 -0.04 0.00 -1.47 0.00 0.00 33.84 31.99 3mgp n VAL 45 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3mgp s HIS 46 N -2.45 -0.43 0.10 6.34 3.76 0.14 -5.03 115.29 117.72 3mgp s HIS 46 Ca -0.08 -1.23 0.34 0.00 -0.15 0.00 0.00 55.06 53.95 3mgp s HIS 46 Cb 0.05 -0.24 1.37 0.00 1.11 0.00 0.00 32.58 34.87 3mgp s HIS 46 CO 0.65 -1.06 1.98 -1.35 -0.85 0.00 0.00 174.74 174.11 3mgp h PRO 47 N 5.61 0.00 -0.57 8.40 0.11 -1.68 -2.24 132.00 141.63 3mgp h PRO 47 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3mgp h PRO 47 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3mgp h PRO 47 CO 0.17 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.71 3mgp n ASP 48 N -3.08 3.14 -4.43 -2.05 8.00 -1.26 -4.93 116.55 111.94 3mgp n ASP 48 Ca 0.01 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.19 3mgp n ASP 48 Cb 0.30 -0.38 -0.14 0.00 -0.02 0.00 0.00 41.12 40.89 3mgp n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mgp s THR 49 N -1.25 3.05 0.00 -3.53 2.01 -0.84 -5.13 115.64 109.95 3mgp s THR 49 Ca 0.39 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3mgp s THR 49 Cb 0.21 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.49 3mgp s THR 49 CO 0.27 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.38 3mgp n GLY 50 N 2.78 2.60 3.52 4.40 0.00 -1.26 -4.87 105.19 112.35 3mgp n GLY 50 Ca -0.18 -2.15 -0.08 0.00 0.00 0.00 0.00 46.02 43.62 3mgp n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mgp s ILE 51 N 0.42 -0.10 0.87 -0.61 2.07 -1.26 -5.15 121.20 117.45 3mgp s ILE 51 Ca 0.00 0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.16 3mgp s ILE 51 Cb 0.00 -0.87 0.12 0.00 0.13 0.00 0.00 42.46 41.84 3mgp s ILE 51 CO 0.00 0.01 1.09 -0.94 -1.91 0.00 0.00 174.94 173.20 3mgp s SER 52 N 1.69 3.62 0.09 4.50 1.04 -1.26 -4.85 113.70 118.52 3mgp s SER 52 Ca -0.09 1.67 -0.20 0.00 0.48 0.00 0.00 55.95 57.80 3mgp s SER 52 Cb -0.07 -2.33 -0.09 0.00 0.10 0.00 0.00 66.02 63.64 3mgp s SER 52 CO -0.17 -2.57 1.60 0.28 0.98 0.00 0.00 173.24 173.35 3mgp h SER 53 N -1.50 0.30 -0.32 7.02 0.02 -2.02 -0.54 113.55 116.51 3mgp h SER 53 Ca -0.48 -0.20 0.07 0.00 -0.84 0.00 0.00 61.79 60.34 3mgp h SER 53 Cb 1.27 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.65 3mgp h SER 53 CO 0.52 0.42 -0.26 0.11 -1.14 0.00 0.00 176.83 176.49 3mgp h LYS 54 N 0.17 -0.22 -0.60 3.45 1.57 -1.99 0.15 116.57 119.10 3mgp h LYS 54 Ca 0.07 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3mgp h LYS 54 Cb 0.23 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3mgp h LYS 54 CO -0.00 -0.15 0.17 0.00 -0.57 0.00 0.00 179.45 178.91 3mgp h ALA 55 N 0.86 1.18 -0.20 3.86 0.00 -1.89 -1.01 119.26 122.06 3mgp h ALA 55 Ca 0.16 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3mgp h ALA 55 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3mgp h ALA 55 CO -0.45 0.57 -0.30 1.98 0.00 0.00 0.00 179.25 181.05 3mgp h MET 56 N 0.88 0.39 0.00 0.00 1.85 -0.69 -1.60 114.93 115.76 3mgp h MET 56 Ca 0.20 -0.16 -0.00 0.00 -0.61 0.00 0.00 59.70 59.13 3mgp h MET 56 Cb 0.27 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.28 3mgp h MET 56 CO -0.01 0.65 -0.00 1.03 -0.40 0.00 0.00 176.91 178.19 3mgp h SER 57 N 0.34 -0.00 -0.92 1.39 0.87 0.17 0.67 113.55 116.06 3mgp h SER 57 Ca 0.05 -0.16 0.21 0.00 -1.23 0.00 0.00 61.79 60.66 3mgp h SER 57 Cb 0.70 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.55 3mgp h SER 57 CO 0.05 0.16 0.47 0.40 -0.53 0.00 0.00 176.83 177.38 3mgp h ILE 58 N -0.16 0.56 -0.15 2.23 1.08 -1.08 -1.40 117.51 118.58 3mgp h ILE 58 Ca -0.00 -0.18 -0.18 0.00 -0.39 0.00 0.00 64.86 64.11 3mgp h ILE 58 Cb 0.16 -0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.90 3mgp h ILE 58 CO 0.00 0.09 -0.64 0.24 -0.69 0.00 0.00 178.15 177.15 3mgp h MET 59 N 0.52 0.57 -0.50 2.37 2.86 -0.74 -0.79 114.93 119.22 3mgp h MET 59 Ca 0.56 -0.41 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 3mgp h MET 59 Cb 1.00 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 3mgp h MET 59 CO -0.47 1.03 0.29 -0.97 1.06 0.00 0.00 176.91 177.84 3mgp h ASN 60 N 0.41 0.45 -0.01 1.22 -1.24 -0.40 -2.52 115.58 113.49 3mgp h ASN 60 Ca -0.01 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.02 3mgp h ASN 60 Cb 1.22 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 40.17 3mgp h ASN 60 CO 0.12 0.32 -0.08 0.28 -1.29 0.00 0.00 177.43 176.78 3mgp h SER 61 N 0.57 -0.22 -0.59 1.15 0.02 -1.07 -1.75 113.55 111.66 3mgp h SER 61 Ca 0.21 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.30 3mgp h SER 61 Cb 0.05 0.10 -0.11 0.00 0.14 0.00 0.00 62.40 62.57 3mgp h SER 61 CO -0.11 -0.11 -0.30 0.15 -1.14 0.00 0.00 176.83 175.32 3mgp h PHE 62 N -0.13 -0.81 -0.15 3.45 3.57 -1.02 0.17 116.94 122.03 3mgp h PHE 62 Ca 0.03 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3mgp h PHE 62 Cb 0.17 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3mgp h PHE 62 CO -0.15 -0.36 0.05 0.28 -2.23 0.00 0.00 178.31 175.90 3mgp h VAL 63 N -0.14 1.16 -0.57 1.41 2.07 -1.30 -0.46 116.25 118.43 3mgp h VAL 63 Ca 0.25 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.34 3mgp h VAL 63 Cb 0.54 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3mgp h VAL 63 CO -0.67 0.15 0.25 0.78 0.02 0.00 0.00 177.57 178.11 3mgp h ASN 64 N 0.07 0.32 0.58 0.57 2.35 -1.04 0.23 115.58 118.67 3mgp h ASN 64 Ca 0.05 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3mgp h ASN 64 Cb 0.19 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.57 3mgp h ASN 64 CO -0.00 0.21 -0.28 -0.78 -1.65 0.00 0.00 177.43 174.92 3mgp h ASP 65 N 0.47 -0.66 -0.75 5.81 3.58 -0.51 -1.47 116.42 122.89 3mgp h ASP 65 Ca 0.27 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.74 3mgp h ASP 65 Cb 0.26 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 3mgp h ASP 65 CO -0.23 -0.45 0.49 0.58 -2.88 0.00 0.00 179.24 176.75 3mgp h VAL 66 N -0.82 1.18 -0.29 2.25 2.07 -0.90 -0.26 116.25 119.48 3mgp h VAL 66 Ca -0.08 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.16 3mgp h VAL 66 Cb 0.62 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 3mgp h VAL 66 CO 0.13 0.18 -0.17 0.15 0.02 0.00 0.00 177.57 177.89 3mgp h PHE 67 N 1.00 -0.42 -0.46 1.57 3.57 -0.52 -1.39 116.94 120.30 3mgp h PHE 67 Ca 0.28 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 3mgp h PHE 67 Cb -0.10 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3mgp h PHE 67 CO -0.02 -0.24 0.13 0.93 -2.23 0.00 0.00 178.31 176.88 3mgp h GLU 68 N -0.13 0.72 -0.60 1.11 5.08 -0.47 0.15 114.58 120.44 3mgp h GLU 68 Ca 0.15 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3mgp h GLU 68 Cb 0.37 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3mgp h GLU 68 CO -0.38 0.70 0.36 0.00 -1.00 0.00 0.00 179.01 178.69 3mgp h ARG 69 N 0.60 0.82 -0.00 2.33 3.08 -0.94 0.11 114.38 120.38 3mgp h ARG 69 Ca 0.15 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3mgp h ARG 69 Cb 0.29 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3mgp h ARG 69 CO -0.00 0.60 -0.02 0.82 -1.07 0.00 0.00 179.97 180.29 3mgp h ILE 70 N 0.81 1.55 -0.80 2.04 2.04 -1.15 -2.34 117.51 119.65 3mgp h ILE 70 Ca 0.22 -1.64 0.12 0.00 1.00 0.00 0.00 64.86 64.55 3mgp h ILE 70 Cb -0.01 2.65 -0.08 0.00 -0.74 0.00 0.00 36.82 38.64 3mgp h ILE 70 CO -0.04 0.43 0.42 0.00 0.00 0.00 0.00 178.15 178.96 3mgp h ALA 71 N 0.31 1.16 -0.19 1.87 0.00 -0.70 -2.22 119.26 119.49 3mgp h ALA 71 Ca -0.00 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3mgp h ALA 71 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3mgp h ALA 71 CO 0.01 -0.03 -0.44 0.78 0.00 0.00 0.00 179.25 179.57 3mgp h GLY 72 N 0.66 0.50 1.47 0.00 0.00 -0.79 -2.05 103.07 102.86 3mgp h GLY 72 Ca 0.41 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 3mgp h GLY 72 CO -0.30 0.46 -0.44 -2.09 0.00 0.00 0.00 176.54 174.17 3mgp h GLU 73 N 0.38 0.57 -0.09 4.80 4.57 -1.11 -2.50 114.58 121.20 3mgp h GLU 73 Ca 0.03 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 3mgp h GLU 73 Cb 0.92 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 3mgp h GLU 73 CO 0.08 0.90 -0.03 0.00 -1.18 0.00 0.00 179.01 178.79 3mgp h ALA 74 N 1.05 0.13 -0.66 2.92 0.00 -1.35 -1.15 119.26 120.20 3mgp h ALA 74 Ca 0.03 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.80 3mgp h ALA 74 Cb 0.96 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 3mgp h ALA 74 CO 0.09 -0.14 -0.50 1.03 0.00 0.00 0.00 179.25 179.73 3mgp h SER 75 N -0.15 -1.74 -0.19 0.00 0.87 -1.38 0.22 113.55 111.18 3mgp h SER 75 Ca 0.02 0.27 0.05 0.00 -1.23 0.00 0.00 61.79 60.91 3mgp h SER 75 Cb 0.44 0.77 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 3mgp h SER 75 CO 0.01 -0.33 -0.24 0.03 -0.53 0.00 0.00 176.83 175.77 3mgp h ARG 76 N -0.20 -0.26 -0.27 2.24 3.08 -1.43 -1.03 114.38 116.51 3mgp h ARG 76 Ca 0.16 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.29 3mgp h ARG 76 Cb 0.54 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 3mgp h ARG 76 CO -0.75 -0.18 -0.19 -0.07 -1.07 0.00 0.00 179.97 177.72 3mgp h LEU 77 N -0.27 -0.61 -0.97 3.04 3.38 -0.54 0.16 115.31 119.49 3mgp h LEU 77 Ca 0.12 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.31 3mgp h LEU 77 Cb 0.45 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 3mgp h LEU 77 CO -0.35 -0.23 0.61 0.00 0.09 0.00 0.00 178.44 178.57 3mgp h ALA 78 N 0.98 1.40 -0.12 1.53 0.00 -0.39 -2.41 119.26 120.25 3mgp h ALA 78 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3mgp h ALA 78 Cb 0.39 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3mgp h ALA 78 CO -0.37 0.31 -0.05 1.25 0.00 0.00 0.00 179.25 180.39 3mgp h HIS 79 N 1.05 0.28 -0.84 0.00 -0.00 -0.54 0.16 115.15 115.25 3mgp h HIS 79 Ca 0.45 -0.07 0.23 0.00 -0.00 0.00 0.00 60.37 60.99 3mgp h HIS 79 Cb 0.32 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.62 3mgp h HIS 79 CO -0.01 0.57 0.60 1.88 -0.00 0.00 0.00 177.93 180.97 3mgp h TYR 80 N -0.10 0.11 -0.42 5.26 0.05 -0.34 -1.19 116.97 120.35 3mgp h TYR 80 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3mgp h TYR 80 Cb 0.49 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.20 3mgp h TYR 80 CO 0.06 0.03 0.00 0.09 -1.05 0.00 0.00 178.16 177.29 3mgp n ASN 81 N -4.33 4.45 -3.84 3.88 3.02 -0.94 -4.97 115.26 112.52 3mgp n ASN 81 Ca 0.17 -2.80 -0.28 0.00 -0.03 0.00 0.00 54.58 51.65 3mgp n ASN 81 Cb 0.86 -0.56 0.03 0.00 -0.61 0.00 0.00 39.78 39.50 3mgp n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mgp n LYS 82 N 0.17 -5.60 -4.79 3.52 5.02 -0.45 -4.97 118.16 111.06 3mgp n LYS 82 Ca 0.23 0.62 -0.33 0.00 -2.02 0.00 0.00 58.31 56.81 3mgp n LYS 82 Cb 0.93 -5.45 -0.13 0.00 -0.02 0.00 0.00 35.03 30.36 3mgp n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3mgp s ARG 83 N -6.45 2.71 0.00 1.97 1.81 0.51 -5.01 118.95 114.49 3mgp s ARG 83 Ca 0.51 -0.65 0.27 0.00 -1.72 0.00 0.00 55.73 54.14 3mgp s ARG 83 Cb -0.25 -2.48 0.90 0.00 -0.45 0.00 0.00 34.95 32.67 3mgp s ARG 83 CO 0.82 0.58 1.67 -1.13 -0.68 0.00 0.00 175.30 176.56 3mgp n SER 84 N 2.46 0.46 -4.22 0.23 3.41 -1.26 -4.30 113.62 110.40 3mgp n SER 84 Ca -0.17 -0.27 -0.30 0.00 -0.26 0.00 0.00 58.87 57.87 3mgp n SER 84 Cb 0.52 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.29 3mgp n SER 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mgp s THR 85 N -2.78 1.85 -0.41 6.66 2.01 -1.26 -5.10 115.64 116.61 3mgp s THR 85 Ca 0.18 -0.95 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 3mgp s THR 85 Cb 0.19 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 71.14 3mgp s THR 85 CO 0.58 0.52 0.65 -0.63 -0.69 0.00 0.00 174.62 175.05 3mgp s ILE 86 N -0.06 4.83 0.49 1.82 1.01 -1.26 -4.89 121.20 123.14 3mgp s ILE 86 Ca -0.05 0.33 0.07 0.00 0.00 0.00 0.00 60.65 61.00 3mgp s ILE 86 Cb -0.13 -4.17 0.07 0.00 0.01 0.00 0.00 42.46 38.24 3mgp s ILE 86 CO 0.04 -0.50 0.62 0.35 0.00 0.00 0.00 174.94 175.44 3mgp n THR 87 N 5.78 0.00 0.27 2.92 -2.24 -1.26 -5.00 114.28 114.75 3mgp n THR 87 Ca -0.01 -1.69 0.15 0.00 -2.27 0.00 0.00 64.05 60.23 3mgp n THR 87 Cb 0.48 -0.49 0.65 0.00 -2.10 0.00 0.00 70.33 68.88 3mgp n THR 87 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3mgp h SER 88 N 0.18 0.00 -0.81 3.42 4.64 -1.99 -2.66 113.55 116.32 3mgp h SER 88 Ca -0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 3mgp h SER 88 Cb 1.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 3mgp h SER 88 CO 0.36 0.06 0.36 -0.09 -0.87 0.00 0.00 176.83 176.65 3mgp h ARG 89 N 0.00 1.19 -0.33 4.77 2.43 -1.99 -0.09 114.38 120.37 3mgp h ARG 89 Ca -0.00 -0.19 -0.09 0.00 -0.81 0.00 0.00 59.98 58.89 3mgp h ARG 89 Cb 0.54 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3mgp h ARG 89 CO 0.01 0.94 -0.14 0.93 -1.51 0.00 0.00 179.97 180.20 3mgp h GLU 90 N 1.17 0.68 -0.97 0.20 3.07 -1.87 -1.67 114.58 115.19 3mgp h GLU 90 Ca 0.28 -0.29 0.05 0.00 -0.50 0.00 0.00 59.36 58.90 3mgp h GLU 90 Cb 0.16 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.99 3mgp h GLU 90 CO -0.03 0.88 0.63 0.82 -1.40 0.00 0.00 179.01 179.91 3mgp h ILE 91 N 0.45 1.14 -0.14 3.13 1.08 -1.40 -1.00 117.51 120.77 3mgp h ILE 91 Ca 0.08 -0.41 -0.09 0.00 -0.39 0.00 0.00 64.86 64.05 3mgp h ILE 91 Cb 0.66 -0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.25 3mgp h ILE 91 CO 0.04 0.22 -0.25 -0.61 -0.69 0.00 0.00 178.15 176.87 3mgp h GLN 92 N 1.19 0.42 -0.72 2.37 4.15 -0.84 -1.40 115.11 120.28 3mgp h GLN 92 Ca 0.40 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3mgp h GLN 92 Cb 0.06 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 3mgp h GLN 92 CO -0.14 0.85 0.42 1.15 -1.93 0.00 0.00 178.83 179.18 3mgp h THR 93 N 0.03 1.21 -0.71 2.39 2.02 -1.29 -1.84 112.91 114.72 3mgp h THR 93 Ca 0.01 -0.51 0.12 0.00 0.77 0.00 0.00 66.41 66.80 3mgp h THR 93 Cb 0.83 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3mgp h THR 93 CO 0.06 0.23 0.47 0.00 0.37 0.00 0.00 175.52 176.65 3mgp h ALA 94 N 1.21 1.97 -0.02 6.16 0.00 -1.09 -0.38 119.26 127.11 3mgp h ALA 94 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3mgp h ALA 94 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3mgp h ALA 94 CO -0.04 -0.14 -0.28 0.28 0.00 0.00 0.00 179.25 179.07 3mgp h VAL 95 N 0.51 1.49 -0.96 0.00 2.07 -0.84 -2.67 116.25 115.86 3mgp h VAL 95 Ca 0.34 -1.85 0.11 0.00 0.82 0.00 0.00 66.70 66.11 3mgp h VAL 95 Cb 0.62 2.59 -0.08 0.00 -1.52 0.00 0.00 31.29 32.91 3mgp h VAL 95 CO -0.11 0.51 0.59 0.03 0.02 0.00 0.00 177.57 178.61 3mgp h ARG 96 N -0.37 0.94 0.00 1.57 3.08 -1.01 0.14 114.38 118.73 3mgp h ARG 96 Ca -0.03 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 3mgp h ARG 96 Cb 0.99 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3mgp h ARG 96 CO 0.06 0.62 -0.42 -0.07 -1.07 0.00 0.00 179.97 179.09 3mgp h LEU 97 N 0.97 0.00 0.00 3.04 3.38 -1.09 -3.38 115.31 118.23 3mgp h LEU 97 Ca 0.46 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.15 3mgp h LEU 97 Cb 0.41 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3mgp h LEU 97 CO -0.25 0.42 -2.06 -0.11 0.09 0.00 0.00 178.44 176.53 3mgp n LEU 98 N -3.58 2.73 -4.84 1.67 7.94 -0.87 -4.98 117.00 115.06 3mgp n LEU 98 Ca -0.00 -0.09 -0.37 0.00 -1.11 0.00 0.00 56.01 54.43 3mgp n LEU 98 Cb 0.53 -0.57 -0.06 0.00 0.53 0.00 0.00 43.42 43.85 3mgp n LEU 98 CO 0.38 0.78 0.11 -0.76 -1.11 0.00 0.00 177.39 176.79 3mgp s LEU 99 N -6.01 4.43 0.44 -1.96 1.43 0.43 -5.07 118.68 112.38 3mgp s LEU 99 Ca -0.24 0.94 -0.25 0.00 -1.03 0.00 0.00 54.13 53.56 3mgp s LEU 99 Cb 0.06 -2.75 -0.08 0.00 0.03 0.00 0.00 46.19 43.45 3mgp s LEU 99 CO 0.45 0.27 1.29 -2.84 0.23 0.00 0.00 176.35 175.74 3mgp s PRO 100 N -1.36 3.78 0.00 1.29 0.02 -1.26 -4.43 135.00 133.04 3mgp s PRO 100 Ca 0.27 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.39 3mgp s PRO 100 Cb -0.16 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.76 3mgp s PRO 100 CO 0.15 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 3mgp n GLY 101 N 0.63 0.00 0.22 0.52 0.00 -1.26 -1.07 105.19 104.23 3mgp n GLY 101 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3mgp n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mgp h GLU 102 N 0.00 0.62 -0.75 1.61 4.57 -2.00 -2.58 114.58 116.06 3mgp h GLU 102 Ca 0.00 -0.41 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 3mgp h GLU 102 Cb 0.00 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 3mgp h GLU 102 CO 0.00 1.02 0.42 -0.07 -1.18 0.00 0.00 179.01 179.21 3mgp h LEU 103 N 0.47 0.91 -0.26 1.64 4.07 -1.45 -2.58 115.31 118.12 3mgp h LEU 103 Ca 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 3mgp h LEU 103 Cb 1.14 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 3mgp h LEU 103 CO 0.11 0.72 0.07 0.00 -1.08 0.00 0.00 178.44 178.26 3mgp h ALA 104 N 1.43 0.34 0.22 1.53 0.00 -1.15 -2.63 119.26 119.00 3mgp h ALA 104 Ca 0.27 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3mgp h ALA 104 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3mgp h ALA 104 CO -0.05 -0.02 -0.34 -0.22 0.00 0.00 0.00 179.25 178.63 3mgp h LYS 105 N 0.25 -0.60 -0.22 0.00 3.64 -1.15 -0.56 116.57 117.92 3mgp h LYS 105 Ca 0.08 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 3mgp h LYS 105 Cb 0.26 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3mgp h LYS 105 CO -0.00 -0.40 -0.26 0.45 -2.27 0.00 0.00 179.45 176.97 3mgp h HIS 106 N -0.63 0.46 -0.25 1.91 3.86 -1.54 -1.81 115.15 117.15 3mgp h HIS 106 Ca 0.01 -0.10 -0.18 0.00 -1.16 0.00 0.00 60.37 58.94 3mgp h HIS 106 Cb 0.61 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3mgp h HIS 106 CO -0.25 0.64 -0.54 0.00 0.86 0.00 0.00 177.93 178.64 3mgp h ALA 107 N 1.36 0.41 -0.84 2.45 0.00 -1.34 0.17 119.26 121.47 3mgp h ALA 107 Ca 0.05 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3mgp h ALA 107 Cb 0.66 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3mgp h ALA 107 CO 0.05 0.62 0.54 0.28 0.00 0.00 0.00 179.25 180.73 3mgp h VAL 108 N 0.57 1.12 -0.43 0.00 2.07 -1.01 -1.75 116.25 116.83 3mgp h VAL 108 Ca 0.00 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.04 3mgp h VAL 108 Cb 1.15 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3mgp h VAL 108 CO 0.12 0.19 -0.26 -1.28 0.02 0.00 0.00 177.57 176.36 3mgp h SER 109 N 1.04 0.94 -0.45 0.57 0.87 -1.01 -2.52 113.55 112.98 3mgp h SER 109 Ca 0.34 -0.37 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 3mgp h SER 109 Cb 0.03 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 3mgp h SER 109 CO -0.12 1.14 0.11 -0.33 -0.53 0.00 0.00 176.83 177.09 3mgp h GLU 110 N 0.77 0.73 -0.39 2.24 4.39 -0.47 -2.41 114.58 119.44 3mgp h GLU 110 Ca 0.09 -0.18 -0.13 0.00 0.34 0.00 0.00 59.36 59.48 3mgp h GLU 110 Cb 0.82 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 3mgp h GLU 110 CO 0.07 0.73 -0.28 0.78 -1.16 0.00 0.00 179.01 179.15 3mgp h GLY 111 N 0.60 0.95 1.01 -3.84 0.00 -1.29 -1.14 103.07 99.36 3mgp h GLY 111 Ca 0.14 -0.91 -0.06 0.00 0.00 0.00 0.00 47.33 46.50 3mgp h GLY 111 CO 0.00 0.82 0.10 -0.84 0.00 0.00 0.00 176.54 176.63 3mgp h THR 112 N 0.68 1.25 -0.61 4.70 2.02 -1.53 -2.01 112.91 117.41 3mgp h THR 112 Ca 0.07 -0.95 0.11 0.00 0.77 0.00 0.00 66.41 66.41 3mgp h THR 112 Cb 0.86 0.78 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 3mgp h THR 112 CO 0.07 0.35 0.18 0.50 0.37 0.00 0.00 175.52 177.00 3mgp h LYS 113 N 0.83 0.32 0.00 6.66 3.64 -1.27 -0.51 116.57 126.24 3mgp h LYS 113 Ca 0.17 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 3mgp h LYS 113 Cb 0.40 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3mgp h LYS 113 CO 0.01 0.21 -0.57 0.00 -2.27 0.00 0.00 179.45 176.83 3mgp h ALA 114 N 1.45 0.88 -0.09 5.00 0.00 -1.04 -1.87 119.26 123.60 3mgp h ALA 114 Ca 0.32 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3mgp h ALA 114 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3mgp h ALA 114 CO -0.36 0.71 -0.37 0.28 0.00 0.00 0.00 179.25 179.52 3mgp h VAL 115 N 0.00 1.40 0.63 0.00 2.07 -0.98 -2.02 116.25 117.35 3mgp h VAL 115 Ca -0.01 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 3mgp h VAL 115 Cb 1.14 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 3mgp h VAL 115 CO 0.07 0.51 -0.50 0.74 0.02 0.00 0.00 177.57 178.41 3mgp h THR 116 N -0.06 0.01 -1.09 2.57 2.02 -1.09 0.39 112.91 115.67 3mgp h THR 116 Ca -0.02 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.45 3mgp h THR 116 Cb 1.01 0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 67.35 3mgp h THR 116 CO 0.08 0.00 0.72 0.50 0.37 0.00 0.00 175.52 177.19 3mgp h LYS 117 N -1.10 0.28 0.22 6.66 3.64 -1.42 0.14 116.57 124.99 3mgp h LYS 117 Ca -0.08 -0.02 -0.30 0.00 -1.27 0.00 0.00 60.65 58.98 3mgp h LYS 117 Cb 0.92 -0.06 0.03 0.00 -0.41 0.00 0.00 32.23 32.71 3mgp h LYS 117 CO 0.01 0.18 -1.32 -0.92 -2.27 0.00 0.00 179.45 175.13 3mgp h TYR 118 N 0.28 0.85 -0.16 1.91 3.20 -0.68 -3.32 116.97 119.06 3mgp h TYR 118 Ca 0.60 -0.62 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 3mgp h TYR 118 Cb 1.74 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.97 3mgp h TYR 118 CO -0.00 1.51 -0.00 1.15 -1.64 0.00 0.00 178.16 179.17 3mgp h THR 119 N -0.00 1.26 -1.22 1.81 2.02 0.47 -3.25 112.91 113.99 3mgp h THR 119 Ca -0.23 -0.85 -0.74 0.00 0.77 0.00 0.00 66.41 65.36 3mgp h THR 119 Cb 2.02 1.51 -0.13 0.00 -1.74 0.00 0.00 68.15 69.82 3mgp h THR 119 CO 0.24 0.25 2.13 -1.20 0.37 0.00 0.00 175.52 177.31 3mgp n SER 120 N -4.74 4.86 -3.68 4.18 7.64 0.43 -4.87 113.62 117.44 3mgp n SER 120 Ca -0.05 -3.02 -0.09 0.00 1.01 0.00 0.00 58.87 56.72 3mgp n SER 120 Cb 0.22 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 61.77 3mgp n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mgp s ALA 121 N 1.49 -1.23 -2.40 -0.43 0.00 -1.23 -4.72 121.76 113.25 3mgp s ALA 121 Ca 0.43 1.69 0.29 0.00 0.00 0.00 0.00 51.96 54.37 3mgp s ALA 121 Cb 0.08 -1.10 1.22 0.00 0.00 0.00 0.00 23.12 23.31 3mgp s ALA 121 CO -0.01 -0.39 1.84 1.17 0.00 0.00 0.00 175.76 178.38