#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgq n LYS 24 N 0.00 -4.25 -3.66 1.61 4.01 -1.26 -5.00 118.16 109.60 3mgq n LYS 24 Ca 0.00 3.21 -0.39 0.00 -0.51 0.00 0.00 58.31 60.62 3mgq n LYS 24 Cb 0.00 -4.36 -0.10 0.00 -0.51 0.00 0.00 35.03 30.06 3mgq n LYS 24 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3mgq s LYS 25 N -0.76 2.26 -0.09 1.97 3.01 -1.26 -4.74 119.74 120.13 3mgq s LYS 25 Ca -0.13 -1.78 0.00 0.00 -1.01 0.00 0.00 55.97 53.05 3mgq s LYS 25 Cb 0.01 -3.76 0.00 0.00 -1.01 0.00 0.00 37.83 33.07 3mgq s LYS 25 CO 0.36 -1.13 0.00 -2.13 0.51 0.00 0.00 175.35 172.97 3mgq n ARG 26 N 4.76 -1.74 -2.79 1.68 0.63 -1.26 -3.67 116.66 114.26 3mgq n ARG 26 Ca -0.05 0.11 -0.04 0.00 -0.92 0.00 0.00 57.85 56.94 3mgq n ARG 26 Cb 0.41 -3.25 0.00 0.00 0.45 0.00 0.00 32.46 30.07 3mgq n ARG 26 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3mgq n ARG 27 N -0.22 -2.99 -1.68 -0.14 3.00 -1.26 -4.95 116.66 108.41 3mgq n ARG 27 Ca -0.01 2.48 -0.43 0.00 -0.00 0.00 0.00 57.85 59.89 3mgq n ARG 27 Cb 0.08 -5.39 -0.01 0.00 0.00 0.00 0.00 32.46 27.14 3mgq n ARG 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3mgq n LYS 28 N 0.30 2.02 -2.20 -0.14 4.81 -1.24 -4.94 118.16 116.76 3mgq n LYS 28 Ca 0.05 0.71 -0.41 0.00 -0.87 0.00 0.00 58.31 57.79 3mgq n LYS 28 Cb 0.20 -2.27 -0.03 0.00 0.02 0.00 0.00 35.03 32.96 3mgq n LYS 28 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3mgq s THR 29 N -0.98 2.92 -0.07 3.15 -4.23 -1.26 -4.92 115.64 110.26 3mgq s THR 29 Ca 0.57 0.92 -0.34 0.00 -1.18 0.00 0.00 61.69 61.65 3mgq s THR 29 Cb -0.59 -3.58 -0.12 0.00 1.34 0.00 0.00 72.50 69.54 3mgq s THR 29 CO 0.61 0.21 1.84 -2.11 -0.54 0.00 0.00 174.62 174.63 3mgq n ARG 30 N 1.05 2.13 -3.50 3.99 1.85 -1.26 -4.95 116.66 115.97 3mgq n ARG 30 Ca 0.00 0.78 -0.42 0.00 -1.00 0.00 0.00 57.85 57.21 3mgq n ARG 30 Cb 0.42 -2.61 -0.07 0.00 -1.05 0.00 0.00 32.46 29.15 3mgq n ARG 30 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3mgq s LYS 31 N 3.68 2.68 0.10 2.89 2.47 -1.26 -5.08 119.74 125.22 3mgq s LYS 31 Ca 0.91 -1.86 -0.19 0.00 -1.56 0.00 0.00 55.97 53.27 3mgq s LYS 31 Cb -0.71 -4.03 -0.07 0.00 -1.46 0.00 0.00 37.83 31.56 3mgq s LYS 31 CO 0.51 -1.23 0.59 -1.83 0.16 0.00 0.00 175.35 173.55 3mgq s GLU 32 N 1.22 4.19 0.19 4.03 -1.05 -1.26 -5.08 118.70 120.94 3mgq s GLU 32 Ca 0.07 0.74 -0.06 0.00 -0.15 0.00 0.00 54.97 55.57 3mgq s GLU 32 Cb -0.25 -3.16 -0.02 0.00 -0.44 0.00 0.00 34.13 30.25 3mgq s GLU 32 CO -0.01 0.59 0.24 -1.54 0.95 0.00 0.00 175.26 175.49 3mgq s SER 33 N -1.25 0.09 0.00 0.83 1.04 -1.26 -5.05 113.70 108.10 3mgq s SER 33 Ca 0.32 -1.11 0.19 0.00 0.48 0.00 0.00 55.95 55.83 3mgq s SER 33 Cb -0.19 0.43 0.94 0.00 0.10 0.00 0.00 66.02 67.30 3mgq s SER 33 CO 0.20 -0.90 1.63 -1.22 0.98 0.00 0.00 173.24 173.93 3mgq n TYR 34 N -0.25 0.08 -0.16 5.02 4.02 -1.26 -4.53 117.16 120.07 3mgq n TYR 34 Ca -0.03 -0.04 0.12 0.00 -0.01 0.00 0.00 57.90 57.94 3mgq n TYR 34 Cb 0.64 0.00 0.45 0.00 -0.02 0.00 0.00 39.34 40.41 3mgq n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mgq h ALA 35 N 3.74 1.96 -0.17 -0.72 0.00 -1.97 -1.23 119.26 120.88 3mgq h ALA 35 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3mgq h ALA 35 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3mgq h ALA 35 CO 0.00 -0.14 -0.52 -0.84 0.00 0.00 0.00 179.25 177.75 3mgq h ILE 36 N 0.52 1.33 -0.48 0.00 3.07 -2.00 -1.50 117.51 118.45 3mgq h ILE 36 Ca 0.35 -1.76 -0.06 0.00 1.55 0.00 0.00 64.86 64.94 3mgq h ILE 36 Cb 0.63 1.76 -0.02 0.00 -0.27 0.00 0.00 36.82 38.93 3mgq h ILE 36 CO -0.12 0.54 0.08 1.88 -1.05 0.00 0.00 178.15 179.49 3mgq h TYR 37 N 0.37 0.84 -0.52 0.16 -1.99 -1.61 -1.82 116.97 112.40 3mgq h TYR 37 Ca 0.01 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.57 3mgq h TYR 37 Cb 1.03 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.51 3mgq h TYR 37 CO 0.04 0.77 0.09 0.28 -0.00 0.00 0.00 178.16 179.34 3mgq h VAL 38 N 0.66 1.25 -0.80 -2.88 2.07 -1.14 -1.91 116.25 113.50 3mgq h VAL 38 Ca 0.15 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3mgq h VAL 38 Cb 0.38 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3mgq h VAL 38 CO 0.01 0.34 0.52 0.22 0.02 0.00 0.00 177.57 178.68 3mgq h TYR 39 N 0.74 0.99 -0.03 1.57 3.20 -1.16 -0.64 116.97 121.64 3mgq h TYR 39 Ca 0.16 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3mgq h TYR 39 Cb 0.39 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3mgq h TYR 39 CO 0.03 0.60 -0.04 0.87 -1.64 0.00 0.00 178.16 177.98 3mgq h LYS 40 N 1.05 -0.06 -0.30 1.82 1.57 -0.82 -1.43 116.57 118.41 3mgq h LYS 40 Ca 0.30 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3mgq h LYS 40 Cb -0.08 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3mgq h LYS 40 CO -0.08 -0.04 0.09 0.28 -0.57 0.00 0.00 179.45 179.13 3mgq h VAL 41 N -0.06 1.14 -0.43 0.50 2.07 -1.07 -1.13 116.25 117.26 3mgq h VAL 41 Ca 0.03 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 3mgq h VAL 41 Cb 0.10 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3mgq h VAL 41 CO -0.07 0.17 -0.01 0.25 0.02 0.00 0.00 177.57 177.92 3mgq h LEU 42 N 0.42 0.76 -0.97 2.57 5.85 -0.58 -2.34 115.31 121.02 3mgq h LEU 42 Ca 0.10 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3mgq h LEU 42 Cb 0.14 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3mgq h LEU 42 CO -0.01 0.89 0.41 0.11 -0.34 0.00 0.00 178.44 179.50 3mgq h LYS 43 N 0.61 1.14 -0.68 1.25 1.79 -0.34 0.26 116.57 120.60 3mgq h LYS 43 Ca 0.12 -0.15 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 3mgq h LYS 43 Cb 0.51 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 3mgq h LYS 43 CO 0.02 0.86 0.44 1.96 -1.08 0.00 0.00 179.45 181.65 3mgq h GLN 44 N 1.13 0.85 0.00 3.15 4.20 -0.96 -2.82 115.11 120.67 3mgq h GLN 44 Ca 0.28 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.71 3mgq h GLN 44 Cb 0.08 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 3mgq h GLN 44 CO -0.04 0.56 -1.68 1.33 -0.67 0.00 0.00 178.83 178.33 3mgq n VAL 45 N -4.65 1.30 -3.30 -0.54 0.24 -0.76 -4.65 118.33 105.97 3mgq n VAL 45 Ca 0.07 -0.74 -0.21 0.00 -2.04 0.00 0.00 64.34 61.42 3mgq n VAL 45 Cb 0.06 -0.77 -0.08 0.00 -1.47 0.00 0.00 33.84 31.58 3mgq n VAL 45 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3mgq s HIS 46 N -2.78 0.21 0.49 6.34 3.76 0.85 -5.02 115.29 119.15 3mgq s HIS 46 Ca -0.05 -1.52 0.14 0.00 -0.15 0.00 0.00 55.06 53.49 3mgq s HIS 46 Cb 0.08 -0.58 1.16 0.00 1.11 0.00 0.00 32.58 34.36 3mgq s HIS 46 CO 0.82 -0.94 2.12 -1.35 -0.85 0.00 0.00 174.74 174.54 3mgq h PRO 47 N 6.17 0.12 -0.67 8.40 0.11 -1.66 -2.17 132.00 142.30 3mgq h PRO 47 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3mgq h PRO 47 Cb 0.99 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3mgq h PRO 47 CO 0.25 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 177.88 3mgq n ASP 48 N -4.51 4.65 -4.63 -2.05 8.00 -1.26 -4.91 116.55 111.84 3mgq n ASP 48 Ca -0.02 -2.37 -0.35 0.00 0.71 0.00 0.00 54.79 52.77 3mgq n ASP 48 Cb 0.09 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.53 3mgq n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mgq s THR 49 N -1.69 4.35 0.57 -3.53 2.01 -0.82 -5.12 115.64 111.40 3mgq s THR 49 Ca 0.51 -0.21 0.10 0.00 0.31 0.00 0.00 61.69 62.40 3mgq s THR 49 Cb 0.32 -2.88 0.08 0.00 0.01 0.00 0.00 72.50 70.03 3mgq s THR 49 CO 0.27 0.54 0.77 -0.83 -0.69 0.00 0.00 174.62 174.68 3mgq s GLY 50 N -0.28 1.75 -0.04 4.40 0.00 -1.26 -4.84 107.32 107.05 3mgq s GLY 50 Ca 0.06 -2.11 -0.01 0.00 0.00 0.00 0.00 44.72 42.66 3mgq s GLY 50 CO 0.02 -1.68 0.06 -1.50 0.00 0.00 0.00 173.10 170.00 3mgq s ILE 51 N -2.65 -0.09 0.86 0.90 2.07 -1.26 -5.14 121.20 115.89 3mgq s ILE 51 Ca 0.61 0.31 -0.11 0.00 -1.41 0.00 0.00 60.65 60.04 3mgq s ILE 51 Cb -0.06 -0.13 0.12 0.00 0.13 0.00 0.00 42.46 42.52 3mgq s ILE 51 CO 0.38 0.13 1.17 -0.94 -1.91 0.00 0.00 174.94 173.77 3mgq s SER 52 N 1.58 3.26 0.41 4.50 1.04 -1.26 -4.79 113.70 118.44 3mgq s SER 52 Ca -0.03 2.25 0.22 0.00 0.48 0.00 0.00 55.95 58.87 3mgq s SER 52 Cb -0.12 -2.57 0.73 0.00 0.10 0.00 0.00 66.02 64.15 3mgq s SER 52 CO -0.03 -2.88 1.74 0.77 0.98 0.00 0.00 173.24 173.82 3mgq h SER 53 N -1.44 0.00 0.17 7.02 4.64 -2.01 -0.67 113.55 121.26 3mgq h SER 53 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3mgq h SER 53 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3mgq h SER 53 CO 0.44 0.26 -0.08 0.11 -0.87 0.00 0.00 176.83 176.69 3mgq h LYS 54 N 0.00 -0.22 -0.95 4.77 1.57 -1.99 0.18 116.57 119.93 3mgq h LYS 54 Ca -0.00 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3mgq h LYS 54 Cb 0.88 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.18 3mgq h LYS 54 CO 0.03 0.00 0.61 0.00 -0.57 0.00 0.00 179.45 179.52 3mgq h ALA 55 N 0.38 1.29 -0.84 3.86 0.00 -1.88 0.15 119.26 122.22 3mgq h ALA 55 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mgq h ALA 55 Cb 0.32 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3mgq h ALA 55 CO 0.04 0.42 0.55 1.98 0.00 0.00 0.00 179.25 182.24 3mgq h MET 56 N 1.13 1.06 0.12 0.00 1.85 -1.02 0.11 114.93 118.18 3mgq h MET 56 Ca 0.40 -0.06 0.01 0.00 -0.61 0.00 0.00 59.70 59.43 3mgq h MET 56 Cb 0.10 -0.24 -0.02 0.00 0.43 0.00 0.00 31.60 31.88 3mgq h MET 56 CO -0.15 0.70 -0.15 1.03 -0.40 0.00 0.00 176.91 177.94 3mgq h SER 57 N 1.09 -0.40 -0.75 1.39 0.87 0.19 0.35 113.55 116.29 3mgq h SER 57 Ca 0.32 0.04 0.17 0.00 -1.23 0.00 0.00 61.79 61.10 3mgq h SER 57 Cb -0.06 0.15 -0.12 0.00 -0.44 0.00 0.00 62.40 61.93 3mgq h SER 57 CO -0.09 -0.22 0.06 0.40 -0.53 0.00 0.00 176.83 176.45 3mgq h ILE 58 N -0.31 0.39 -0.49 2.23 1.08 -0.57 -1.21 117.51 118.63 3mgq h ILE 58 Ca 0.01 -0.05 -0.06 0.00 -0.39 0.00 0.00 64.86 64.38 3mgq h ILE 58 Cb 0.31 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 3mgq h ILE 58 CO -0.06 0.03 0.08 0.24 -0.69 0.00 0.00 178.15 177.74 3mgq h MET 59 N 0.15 0.81 -0.49 2.37 2.86 0.36 -0.15 114.93 120.84 3mgq h MET 59 Ca 0.42 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 3mgq h MET 59 Cb 0.73 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3mgq h MET 59 CO -0.62 0.81 0.07 -0.97 1.06 0.00 0.00 176.91 177.27 3mgq h ASN 60 N 0.69 0.73 0.22 1.22 -1.24 0.16 -2.26 115.58 115.10 3mgq h ASN 60 Ca 0.15 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 3mgq h ASN 60 Cb 0.39 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 3mgq h ASN 60 CO 0.01 0.75 -0.12 0.28 -1.29 0.00 0.00 177.43 177.07 3mgq h SER 61 N 0.74 -0.28 -0.95 1.15 0.02 -0.81 -2.04 113.55 111.38 3mgq h SER 61 Ca 0.16 0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.26 3mgq h SER 61 Cb 0.35 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.87 3mgq h SER 61 CO 0.01 -0.19 0.56 0.15 -1.14 0.00 0.00 176.83 176.22 3mgq h PHE 62 N -0.31 1.01 -0.22 3.45 3.57 -0.82 0.17 116.94 123.78 3mgq h PHE 62 Ca -0.03 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 3mgq h PHE 62 Cb 0.25 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3mgq h PHE 62 CO -0.07 0.33 -0.14 0.28 -2.23 0.00 0.00 178.31 176.48 3mgq h VAL 63 N 0.83 1.31 -0.59 1.41 2.07 -1.23 -0.35 116.25 119.71 3mgq h VAL 63 Ca 0.50 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.78 3mgq h VAL 63 Cb 0.60 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3mgq h VAL 63 CO -0.31 0.38 0.39 0.78 0.02 0.00 0.00 177.57 178.83 3mgq h ASN 64 N 0.18 0.68 0.11 0.57 2.35 -0.94 -1.30 115.58 117.24 3mgq h ASN 64 Ca 0.05 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3mgq h ASN 64 Cb 0.65 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 3mgq h ASN 64 CO 0.04 0.50 -0.30 -0.78 -1.65 0.00 0.00 177.43 175.23 3mgq h ASP 65 N 0.80 -0.86 -0.60 5.81 3.58 -0.51 -1.07 116.42 123.58 3mgq h ASP 65 Ca 0.22 0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.70 3mgq h ASP 65 Cb -0.09 0.33 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 3mgq h ASP 65 CO -0.05 -0.39 0.11 0.58 -2.88 0.00 0.00 179.24 176.62 3mgq h VAL 66 N -0.51 1.25 -0.02 2.25 2.07 -0.94 -1.40 116.25 118.95 3mgq h VAL 66 Ca 0.03 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.60 3mgq h VAL 66 Cb 0.55 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3mgq h VAL 66 CO -0.18 0.37 -0.20 0.15 0.02 0.00 0.00 177.57 177.73 3mgq h PHE 67 N 0.95 -0.52 0.12 1.57 3.57 -1.08 0.89 116.94 122.44 3mgq h PHE 67 Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3mgq h PHE 67 Cb 0.40 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3mgq h PHE 67 CO 0.03 -0.28 -0.10 0.93 -2.23 0.00 0.00 178.31 176.66 3mgq h GLU 68 N -0.31 -0.22 -0.39 1.11 5.08 -0.95 0.27 114.58 119.17 3mgq h GLU 68 Ca 0.06 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3mgq h GLU 68 Cb 0.40 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 3mgq h GLU 68 CO -0.20 -0.14 -0.10 0.00 -1.00 0.00 0.00 179.01 177.56 3mgq h ARG 69 N -0.23 -0.01 -0.11 2.33 3.08 -1.13 0.13 114.38 118.45 3mgq h ARG 69 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3mgq h ARG 69 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3mgq h ARG 69 CO -0.01 -0.00 -0.01 0.82 -1.07 0.00 0.00 179.97 179.69 3mgq h ILE 70 N -0.01 1.27 -0.88 2.04 2.04 -0.56 -1.95 117.51 119.46 3mgq h ILE 70 Ca 0.19 -0.87 0.15 0.00 1.00 0.00 0.00 64.86 65.33 3mgq h ILE 70 Cb 0.29 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 3mgq h ILE 70 CO -0.41 0.25 0.57 0.00 0.00 0.00 0.00 178.15 178.56 3mgq h ALA 71 N 0.72 1.89 -0.08 1.87 0.00 -0.27 -1.18 119.26 122.21 3mgq h ALA 71 Ca 0.03 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 3mgq h ALA 71 Cb 0.39 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3mgq h ALA 71 CO 0.01 -0.14 -0.74 0.78 0.00 0.00 0.00 179.25 179.16 3mgq h GLY 72 N 0.64 0.70 0.88 0.00 0.00 -0.52 0.77 103.07 105.55 3mgq h GLY 72 Ca 0.45 -1.08 0.03 0.00 0.00 0.00 0.00 47.33 46.72 3mgq h GLY 72 CO -0.20 0.96 0.39 0.83 0.00 0.00 0.00 176.54 178.52 3mgq h GLU 73 N 0.28 0.75 -0.48 4.80 4.39 -1.10 -2.12 114.58 121.10 3mgq h GLU 73 Ca -0.07 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.61 3mgq h GLU 73 Cb 1.39 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 3mgq h GLU 73 CO 0.15 0.49 0.28 0.00 -1.16 0.00 0.00 179.01 178.77 3mgq h ALA 74 N 1.27 0.61 0.11 3.43 0.00 -1.09 0.11 119.26 123.69 3mgq h ALA 74 Ca 0.25 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3mgq h ALA 74 Cb 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3mgq h ALA 74 CO -0.10 -0.04 -0.35 1.03 0.00 0.00 0.00 179.25 179.80 3mgq h SER 75 N 0.55 -1.00 -0.05 0.00 0.87 -0.58 -1.62 113.55 111.71 3mgq h SER 75 Ca 0.19 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.88 3mgq h SER 75 Cb 0.03 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3mgq h SER 75 CO -0.10 -0.43 -0.02 0.03 -0.53 0.00 0.00 176.83 175.79 3mgq h ARG 76 N -0.57 -0.00 -0.71 2.24 3.08 -1.13 -2.51 114.38 114.78 3mgq h ARG 76 Ca 0.03 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.23 3mgq h ARG 76 Cb 0.60 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.52 3mgq h ARG 76 CO -0.21 -0.00 -0.15 -0.07 -1.07 0.00 0.00 179.97 178.47 3mgq h LEU 77 N -0.00 -0.61 0.68 3.04 3.38 -0.51 0.11 115.31 121.40 3mgq h LEU 77 Ca 0.03 0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3mgq h LEU 77 Cb 0.05 0.42 0.01 0.00 0.09 0.00 0.00 40.66 41.22 3mgq h LEU 77 CO -0.06 -0.22 -0.33 0.00 0.09 0.00 0.00 178.44 177.92 3mgq h ALA 78 N 1.70 -0.92 -0.66 1.53 0.00 -1.10 -2.68 119.26 117.13 3mgq h ALA 78 Ca 0.35 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3mgq h ALA 78 Cb 0.54 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 3mgq h ALA 78 CO -0.71 -1.01 -0.57 1.25 0.00 0.00 0.00 179.25 178.21 3mgq h HIS 79 N -0.93 -1.79 -1.04 0.00 -0.00 -0.99 -0.93 115.15 109.47 3mgq h HIS 79 Ca -0.09 0.10 0.27 0.00 -0.00 0.00 0.00 60.37 60.65 3mgq h HIS 79 Cb 0.71 0.87 -0.09 0.00 -0.00 0.00 0.00 27.41 28.90 3mgq h HIS 79 CO -0.02 -0.44 0.68 1.88 -0.00 0.00 0.00 177.93 180.03 3mgq h TYR 80 N -0.23 0.58 -0.89 5.26 0.99 -0.61 0.00 116.97 122.07 3mgq h TYR 80 Ca 0.11 0.02 -0.43 0.00 2.00 0.00 0.00 58.73 60.43 3mgq h TYR 80 Cb 0.52 -0.17 -0.25 0.00 1.00 0.00 0.00 36.73 37.83 3mgq h TYR 80 CO -0.86 0.06 0.54 0.09 -0.00 0.00 0.00 178.16 177.99 3mgq n ASN 81 N -4.58 3.94 -4.11 3.88 3.02 -0.43 -4.93 115.26 112.05 3mgq n ASN 81 Ca 0.25 -3.44 -0.41 0.00 -0.03 0.00 0.00 54.58 50.95 3mgq n ASN 81 Cb 0.90 -0.80 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 3mgq n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mgq n LYS 82 N -0.84 -0.42 -4.30 3.52 4.01 -0.01 -4.96 118.16 115.15 3mgq n LYS 82 Ca 0.53 0.03 -0.22 0.00 -0.51 0.00 0.00 58.31 58.14 3mgq n LYS 82 Cb 1.56 -2.53 -0.12 0.00 -0.51 0.00 0.00 35.03 33.43 3mgq n LYS 82 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3mgq s ARG 83 N -7.31 1.19 0.00 1.97 1.81 -0.74 -5.04 118.95 110.83 3mgq s ARG 83 Ca 0.34 -1.31 0.00 0.00 -1.72 0.00 0.00 55.73 53.04 3mgq s ARG 83 Cb -0.19 -1.27 0.00 0.00 -0.45 0.00 0.00 34.95 33.04 3mgq s ARG 83 CO 0.93 0.27 0.69 -1.13 -0.68 0.00 0.00 175.30 175.37 3mgq n SER 84 N 0.55 1.28 -4.25 0.23 3.41 -1.26 -3.92 113.62 109.66 3mgq n SER 84 Ca -0.15 -1.46 -0.31 0.00 -0.26 0.00 0.00 58.87 56.68 3mgq n SER 84 Cb 0.56 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.34 3mgq n SER 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mgq s THR 85 N -0.46 2.02 -0.41 6.66 2.01 -1.26 -5.09 115.64 119.10 3mgq s THR 85 Ca 0.00 -1.04 -0.17 0.00 0.31 0.00 0.00 61.69 60.80 3mgq s THR 85 Cb 0.00 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.81 3mgq s THR 85 CO 0.00 0.56 0.42 -0.63 -0.69 0.00 0.00 174.62 174.28 3mgq s ILE 86 N -0.03 5.11 0.42 1.82 1.01 -1.26 -4.91 121.20 123.35 3mgq s ILE 86 Ca -0.07 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.31 3mgq s ILE 86 Cb -0.15 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.37 3mgq s ILE 86 CO 0.05 -0.38 0.48 0.35 0.00 0.00 0.00 174.94 175.44 3mgq n THR 87 N 5.40 0.00 0.31 2.92 -2.24 -1.26 -4.97 114.28 114.44 3mgq n THR 87 Ca -0.08 -1.48 0.20 0.00 -2.27 0.00 0.00 64.05 60.42 3mgq n THR 87 Cb 0.48 -0.46 0.97 0.00 -2.10 0.00 0.00 70.33 69.21 3mgq n THR 87 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3mgq h SER 88 N 0.22 0.00 0.26 3.42 4.64 -1.99 -2.18 113.55 117.92 3mgq h SER 88 Ca -0.22 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.86 3mgq h SER 88 Cb 0.92 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3mgq h SER 88 CO 0.33 0.01 -0.98 -0.09 -0.87 0.00 0.00 176.83 175.23 3mgq h ARG 89 N 0.00 0.48 -0.29 4.77 2.43 -1.99 -1.56 114.38 118.22 3mgq h ARG 89 Ca -0.00 -0.53 -0.04 0.00 -0.81 0.00 0.00 59.98 58.60 3mgq h ARG 89 Cb 0.23 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3mgq h ARG 89 CO 0.00 1.17 0.01 0.93 -1.51 0.00 0.00 179.97 180.57 3mgq h GLU 90 N 0.27 0.51 -0.66 0.20 3.07 -1.80 -2.12 114.58 114.04 3mgq h GLU 90 Ca -0.09 -0.16 0.07 0.00 -0.50 0.00 0.00 59.36 58.68 3mgq h GLU 90 Cb 1.62 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.44 3mgq h GLU 90 CO 0.18 0.65 0.44 0.82 -1.40 0.00 0.00 179.01 179.70 3mgq h ILE 91 N 0.30 0.98 -0.08 3.13 1.08 -1.39 -0.52 117.51 121.01 3mgq h ILE 91 Ca 0.08 -0.21 -0.05 0.00 -0.39 0.00 0.00 64.86 64.29 3mgq h ILE 91 Cb 0.42 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 3mgq h ILE 91 CO 0.01 0.11 -0.15 -0.61 -0.69 0.00 0.00 178.15 176.82 3mgq h GLN 92 N 0.62 0.25 -0.79 2.37 4.15 -1.07 -1.17 115.11 119.47 3mgq h GLN 92 Ca 0.29 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.57 3mgq h GLN 92 Cb 0.35 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 3mgq h GLN 92 CO -0.09 0.74 0.52 1.15 -1.93 0.00 0.00 178.83 179.22 3mgq h THR 93 N -0.21 1.19 -0.43 2.39 2.02 -1.17 -1.49 112.91 115.21 3mgq h THR 93 Ca 0.00 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 3mgq h THR 93 Cb 0.73 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3mgq h THR 93 CO 0.03 0.19 0.23 0.00 0.37 0.00 0.00 175.52 176.34 3mgq h ALA 94 N 1.51 0.55 -0.66 6.16 0.00 -0.91 0.31 119.26 126.22 3mgq h ALA 94 Ca 0.29 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3mgq h ALA 94 Cb -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3mgq h ALA 94 CO -0.07 0.08 0.21 0.28 0.00 0.00 0.00 179.25 179.75 3mgq h VAL 95 N 0.55 1.24 -0.05 0.00 2.07 -0.83 -1.04 116.25 118.20 3mgq h VAL 95 Ca 0.15 -0.83 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 3mgq h VAL 95 Cb 0.07 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3mgq h VAL 95 CO -0.02 0.32 -0.45 0.03 0.02 0.00 0.00 177.57 177.47 3mgq h ARG 96 N 0.96 0.13 0.00 1.57 3.08 -0.72 -1.34 114.38 118.05 3mgq h ARG 96 Ca 0.22 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 3mgq h ARG 96 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3mgq h ARG 96 CO -0.01 0.56 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.08 3mgq h LEU 97 N 0.10 0.00 0.00 3.04 3.38 -0.33 -3.39 115.31 118.11 3mgq h LEU 97 Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3mgq h LEU 97 Cb 0.85 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3mgq h LEU 97 CO 0.06 0.30 -2.08 -0.11 0.09 0.00 0.00 178.44 176.70 3mgq n LEU 98 N -3.25 2.70 -4.86 1.67 7.94 -0.45 -4.98 117.00 115.77 3mgq n LEU 98 Ca 0.02 -0.04 -0.33 0.00 -1.11 0.00 0.00 56.01 54.54 3mgq n LEU 98 Cb 0.58 -0.65 -0.05 0.00 0.53 0.00 0.00 43.42 43.83 3mgq n LEU 98 CO 0.36 0.75 0.20 -0.76 -1.11 0.00 0.00 177.39 176.83 3mgq s LEU 99 N -6.28 4.25 0.31 -1.96 1.43 -0.53 -5.08 118.68 110.82 3mgq s LEU 99 Ca -0.26 0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 53.64 3mgq s LEU 99 Cb 0.07 -3.44 -0.09 0.00 0.03 0.00 0.00 46.19 42.76 3mgq s LEU 99 CO 0.42 0.02 0.73 -2.16 0.23 0.00 0.00 176.35 175.59 3mgq s PRO 100 N -2.40 4.03 0.00 1.29 0.04 -1.26 -4.49 135.00 132.21 3mgq s PRO 100 Ca 0.42 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3mgq s PRO 100 Cb -0.13 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.92 3mgq s PRO 100 CO 0.20 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.84 3mgq n GLY 101 N -0.23 0.44 0.19 0.56 0.00 -1.26 -1.26 105.19 103.63 3mgq n GLY 101 Ca 0.03 0.25 0.03 0.00 0.00 0.00 0.00 46.02 46.33 3mgq n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mgq h GLU 102 N 0.00 0.00 -0.45 1.61 4.39 -2.00 -2.60 114.58 115.52 3mgq h GLU 102 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 3mgq h GLU 102 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3mgq h GLU 102 CO 0.00 0.36 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.99 3mgq h LEU 103 N 0.00 0.91 0.26 1.33 3.38 -1.55 -2.86 115.31 116.78 3mgq h LEU 103 Ca -0.00 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3mgq h LEU 103 Cb 0.63 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3mgq h LEU 103 CO 0.05 1.08 -0.12 0.00 0.09 0.00 0.00 178.44 179.54 3mgq h ALA 104 N 0.86 -0.34 -0.46 1.53 0.00 -1.32 -0.97 119.26 118.57 3mgq h ALA 104 Ca 0.11 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3mgq h ALA 104 Cb 0.70 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 3mgq h ALA 104 CO 0.05 -0.65 -0.36 0.87 0.00 0.00 0.00 179.25 179.17 3mgq h LYS 105 N -0.43 -0.24 -0.12 0.00 1.57 -1.53 0.40 116.57 116.22 3mgq h LYS 105 Ca -0.04 0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 3mgq h LYS 105 Cb 0.33 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3mgq h LYS 105 CO 0.06 -0.16 -0.49 0.45 -0.57 0.00 0.00 179.45 178.74 3mgq h HIS 106 N -0.25 0.38 -0.42 -1.35 3.86 -1.46 -0.75 115.15 115.15 3mgq h HIS 106 Ca 0.18 -0.12 -0.07 0.00 -1.16 0.00 0.00 60.37 59.20 3mgq h HIS 106 Cb 0.55 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3mgq h HIS 106 CO -0.59 0.74 -0.01 0.00 0.86 0.00 0.00 177.93 178.93 3mgq h ALA 107 N 1.24 0.57 -0.39 2.45 0.00 -0.60 0.14 119.26 122.67 3mgq h ALA 107 Ca 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3mgq h ALA 107 Cb 0.96 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3mgq h ALA 107 CO 0.08 0.37 0.17 0.28 0.00 0.00 0.00 179.25 180.14 3mgq h VAL 108 N 0.59 1.18 -0.36 0.00 2.07 -0.80 0.94 116.25 119.88 3mgq h VAL 108 Ca 0.12 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3mgq h VAL 108 Cb 0.50 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3mgq h VAL 108 CO 0.02 0.20 0.18 -1.28 0.02 0.00 0.00 177.57 176.72 3mgq h SER 109 N 0.48 0.27 0.37 0.57 0.87 -1.00 0.13 113.55 115.24 3mgq h SER 109 Ca 0.13 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 3mgq h SER 109 Cb 0.16 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3mgq h SER 109 CO -0.01 0.20 -0.36 -0.33 -0.53 0.00 0.00 176.83 175.80 3mgq h GLU 110 N 0.37 0.00 -0.00 2.24 4.39 -0.28 -0.82 114.58 120.48 3mgq h GLU 110 Ca 0.15 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3mgq h GLU 110 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3mgq h GLU 110 CO -0.10 0.36 -0.06 0.78 -1.16 0.00 0.00 179.01 178.84 3mgq h GLY 111 N 1.09 0.04 0.63 -3.84 0.00 -0.59 -2.52 103.07 97.88 3mgq h GLY 111 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.30 3mgq h GLY 111 CO 0.05 0.07 0.09 -0.84 0.00 0.00 0.00 176.54 175.91 3mgq h THR 112 N -0.71 0.86 -0.67 4.70 2.02 -0.92 -1.48 112.91 116.71 3mgq h THR 112 Ca -0.01 -0.08 0.12 0.00 0.77 0.00 0.00 66.41 67.22 3mgq h THR 112 Cb 0.82 0.61 -0.13 0.00 -1.74 0.00 0.00 68.15 67.72 3mgq h THR 112 CO 0.01 0.04 -0.29 0.50 0.37 0.00 0.00 175.52 176.16 3mgq h LYS 113 N 0.22 -0.09 -0.67 6.66 3.64 -1.20 -1.81 116.57 123.32 3mgq h LYS 113 Ca 0.16 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 3mgq h LYS 113 Cb 0.17 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3mgq h LYS 113 CO -0.19 -0.06 0.16 0.00 -2.27 0.00 0.00 179.45 177.09 3mgq h ALA 114 N 1.28 1.01 0.29 5.00 0.00 -0.84 -0.54 119.26 125.45 3mgq h ALA 114 Ca 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mgq h ALA 114 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3mgq h ALA 114 CO -0.73 0.64 -0.14 0.28 0.00 0.00 0.00 179.25 179.31 3mgq h VAL 115 N 1.02 0.71 -0.66 0.00 2.07 -0.75 0.49 116.25 119.13 3mgq h VAL 115 Ca 0.21 -0.62 0.12 0.00 0.82 0.00 0.00 66.70 67.23 3mgq h VAL 115 Cb 0.36 1.03 -0.12 0.00 -1.52 0.00 0.00 31.29 31.03 3mgq h VAL 115 CO 0.00 0.12 -0.33 0.74 0.02 0.00 0.00 177.57 178.12 3mgq h THR 116 N -0.75 0.15 -0.87 2.57 2.02 -1.33 0.37 112.91 115.08 3mgq h THR 116 Ca -0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.22 3mgq h THR 116 Cb 0.50 0.15 -0.07 0.00 -1.74 0.00 0.00 68.15 66.99 3mgq h THR 116 CO 0.07 0.00 0.53 0.50 0.37 0.00 0.00 175.52 176.98 3mgq h LYS 117 N -0.13 0.89 -0.12 6.66 1.63 -0.85 -2.66 116.57 121.99 3mgq h LYS 117 Ca 0.26 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.92 3mgq h LYS 117 Cb 0.56 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3mgq h LYS 117 CO -0.73 0.59 -0.25 -0.92 -3.45 0.00 0.00 179.45 174.69 3mgq h TYR 118 N 0.91 0.48 0.00 1.91 3.20 0.46 -3.23 116.97 120.71 3mgq h TYR 118 Ca 0.40 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3mgq h TYR 118 Cb 0.29 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3mgq h TYR 118 CO -0.04 0.86 0.00 1.79 -1.64 0.00 0.00 178.16 179.14 3mgq h THR 119 N -0.05 0.00 -2.05 1.81 1.35 -0.02 -3.03 112.91 110.92 3mgq h THR 119 Ca 0.00 -0.30 -0.73 0.00 -0.55 0.00 0.00 66.41 64.83 3mgq h THR 119 Cb 0.84 1.13 -0.31 0.00 -1.73 0.00 0.00 68.15 68.08 3mgq h THR 119 CO 0.06 0.00 0.57 -1.54 -0.25 0.00 0.00 175.52 174.35 3mgq n SER 120 N -2.65 6.67 -3.74 5.36 3.41 -1.03 -4.87 113.62 116.77 3mgq n SER 120 Ca 0.01 -3.75 -0.25 0.00 -0.26 0.00 0.00 58.87 54.61 3mgq n SER 120 Cb 0.22 -0.95 -0.17 0.00 -0.26 0.00 0.00 64.21 63.06 3mgq n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mgq s ALA 121 N -4.01 0.79 0.00 7.33 0.00 -1.15 -5.01 121.76 119.72 3mgq s ALA 121 Ca 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3mgq s ALA 121 Cb 0.33 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3mgq s ALA 121 CO -0.25 -0.81 0.00 1.63 0.00 0.00 0.00 175.76 176.33