#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2keq n GLY 0 N 0.00 -0.43 3.80 -0.02 0.00 -1.20 -4.16 105.19 103.18 2keq n GLY 0 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.10 2keq n GLY 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2keq s ALA 1 N -1.89 -1.43 -0.01 4.61 0.00 -1.26 -4.83 121.76 116.94 2keq s ALA 1 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.92 2keq s ALA 1 Cb 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 2keq s ALA 1 CO 0.00 -1.04 -0.26 -0.51 0.00 0.00 0.00 175.76 173.95 2keq s LEU 2 N -2.98 2.06 0.79 0.00 1.43 -0.25 -2.61 118.68 117.12 2keq s LEU 2 Ca 0.13 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 2keq s LEU 2 Cb -0.03 -1.33 0.06 0.00 0.03 0.00 0.00 46.19 44.93 2keq s LEU 2 CO 0.05 0.31 1.08 -0.55 0.23 0.00 0.00 176.35 177.47 2keq s SER 3 N -0.67 4.50 0.28 2.29 0.15 -0.48 -0.75 113.70 119.02 2keq s SER 3 Ca 0.10 1.55 0.02 0.00 0.70 0.00 0.00 55.95 58.32 2keq s SER 3 Cb -0.10 -2.30 0.67 0.00 -1.71 0.00 0.00 66.02 62.58 2keq s SER 3 CO -0.01 -2.00 1.70 0.22 1.20 0.00 0.00 173.24 174.35 2keq h TYR 4 N -1.11 0.58 0.00 3.44 5.03 -1.89 -0.36 116.97 122.66 2keq h TYR 4 Ca -0.46 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.89 2keq h TYR 4 Cb 1.25 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.41 2keq h TYR 4 CO 0.52 -0.05 0.00 -0.85 -1.32 0.00 0.00 178.16 176.47 2keq n GLU 5 N -5.06 0.01 -2.39 1.82 -0.00 -1.26 -3.84 120.64 109.92 2keq n GLU 5 Ca 0.20 0.48 -0.42 0.00 -0.00 0.00 0.00 57.16 57.42 2keq n GLU 5 Cb 0.61 -1.52 -0.02 0.00 -0.00 0.00 0.00 31.44 30.50 2keq n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2keq s THR 6 N -3.02 3.87 -0.13 3.84 2.01 -0.14 -4.96 115.64 117.10 2keq s THR 6 Ca 0.01 0.83 -0.07 0.00 0.31 0.00 0.00 61.69 62.77 2keq s THR 6 Cb 0.01 -4.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2keq s THR 6 CO 0.03 -0.96 0.13 -1.61 -0.69 0.00 0.00 174.62 171.52 2keq s GLU 7 N 5.16 3.55 -0.20 4.92 2.02 -1.26 -0.90 118.70 132.00 2keq s GLU 7 Ca 0.56 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 55.40 2keq s GLU 7 Cb -0.12 -3.21 0.03 0.00 0.10 0.00 0.00 34.13 30.94 2keq s GLU 7 CO 0.29 0.69 -0.16 0.42 0.02 0.00 0.00 175.26 176.53 2keq s ILE 8 N -0.77 1.95 0.15 -1.63 -1.09 0.07 -1.38 121.20 118.50 2keq s ILE 8 Ca 0.14 -1.06 -0.31 0.00 -2.23 0.00 0.00 60.65 57.18 2keq s ILE 8 Cb -0.12 -1.88 -0.11 0.00 -1.58 0.00 0.00 42.46 38.78 2keq s ILE 8 CO 0.03 0.34 1.76 -0.22 -1.23 0.00 0.00 174.94 175.62 2keq s LEU 9 N 1.29 4.39 0.22 2.97 0.20 -1.14 -3.24 118.68 123.37 2keq s LEU 9 Ca 0.01 2.76 0.11 0.00 0.69 0.00 0.00 54.13 57.70 2keq s LEU 9 Cb -0.15 -3.58 -0.05 0.00 -0.43 0.00 0.00 46.19 41.98 2keq s LEU 9 CO -0.10 -0.97 -0.20 0.42 -0.29 0.00 0.00 176.35 175.20 2keq s THR 10 N 2.12 2.23 0.11 3.68 -4.23 -0.51 -3.80 115.64 115.24 2keq s THR 10 Ca 0.78 -2.17 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 2keq s THR 10 Cb -0.47 -2.13 -0.23 0.00 1.34 0.00 0.00 72.50 71.02 2keq s THR 10 CO 0.34 -0.31 1.24 0.58 -0.54 0.00 0.00 174.62 175.93 2keq h VAL 11 N 2.79 1.48 -0.02 2.29 2.07 -1.63 -2.51 116.25 120.73 2keq h VAL 11 Ca -0.42 -2.81 -0.13 0.00 0.82 0.00 0.00 66.70 64.16 2keq h VAL 11 Cb 1.23 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.68 2keq h VAL 11 CO 0.55 0.82 -0.58 -0.33 0.02 0.00 0.00 177.57 178.04 2keq h GLU 12 N 0.13 0.06 0.00 1.57 4.39 -1.96 -3.42 114.58 115.34 2keq h GLU 12 Ca -0.10 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2keq h GLU 12 Cb 1.76 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 2keq h GLU 12 CO 0.18 0.63 -0.11 0.66 -1.16 0.00 0.00 179.01 179.20 2keq n TYR 13 N -3.86 0.00 0.00 4.33 4.01 -1.26 -5.10 117.16 115.28 2keq n TYR 13 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2keq n TYR 13 Cb 0.59 0.39 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 2keq n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2keq n GLY 14 N 1.67 0.39 3.57 2.72 0.00 -0.94 -4.96 105.19 107.64 2keq n GLY 14 Ca 0.00 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 2keq n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2keq s LEU 15 N 0.00 3.41 0.02 0.99 1.43 -1.26 -1.42 118.68 121.84 2keq s LEU 15 Ca 0.00 1.13 -0.02 0.00 -1.03 0.00 0.00 54.13 54.22 2keq s LEU 15 Cb 0.00 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 2keq s LEU 15 CO 0.00 -2.30 0.01 -0.76 0.23 0.00 0.00 176.35 173.53 2keq s LEU 16 N 9.42 2.10 0.19 1.79 1.43 -1.20 -4.94 118.68 127.47 2keq s LEU 16 Ca 0.87 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 2keq s LEU 16 Cb -0.21 0.23 -0.09 0.00 0.03 0.00 0.00 46.19 46.16 2keq s LEU 16 CO 0.28 -0.33 1.39 -2.16 0.23 0.00 0.00 176.35 175.76 2keq s PRO 17 N -1.59 4.33 0.40 1.29 0.04 -1.26 -0.75 135.00 137.45 2keq s PRO 17 Ca -0.14 2.15 0.08 0.00 0.04 0.00 0.00 61.00 63.12 2keq s PRO 17 Cb -0.08 -3.18 0.85 0.00 0.04 0.00 0.00 34.50 32.13 2keq s PRO 17 CO -0.01 -0.37 2.03 0.97 0.04 0.00 0.00 177.00 179.66 2keq h ILE 18 N 3.83 1.06 -0.40 0.56 2.10 -1.12 -2.72 117.51 120.82 2keq h ILE 18 Ca -0.44 -0.20 -0.05 0.00 1.08 0.00 0.00 64.86 65.25 2keq h ILE 18 Cb 1.21 0.42 -0.02 0.00 -1.09 0.00 0.00 36.82 37.35 2keq h ILE 18 CO 0.81 0.11 0.03 1.23 -1.08 0.00 0.00 178.15 179.25 2keq h GLY 19 N 0.59 0.66 1.79 8.18 0.00 -1.81 -1.97 103.07 110.50 2keq h GLY 19 Ca 0.20 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 2keq h GLY 19 CO -0.05 0.36 -0.65 1.70 0.00 0.00 0.00 176.54 177.90 2keq h LYS 20 N 0.59 0.21 -0.61 4.80 3.64 -1.80 -0.19 116.57 123.22 2keq h LYS 20 Ca 0.13 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 2keq h LYS 20 Cb 0.33 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2keq h LYS 20 CO 0.01 0.79 0.10 0.82 -2.27 0.00 0.00 179.45 178.90 2keq h ILE 21 N 0.15 1.25 0.15 2.00 2.04 -1.29 -1.83 117.51 119.98 2keq h ILE 21 Ca -0.01 -0.97 -0.34 0.00 1.00 0.00 0.00 64.86 64.53 2keq h ILE 21 Cb 1.18 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2keq h ILE 21 CO 0.10 0.36 -1.74 0.58 0.00 0.00 0.00 178.15 177.45 2keq h VAL 22 N 0.92 0.92 0.00 1.67 2.07 -1.28 0.12 116.25 120.68 2keq h VAL 22 Ca 0.19 -2.56 -0.07 0.00 0.82 0.00 0.00 66.70 65.08 2keq h VAL 22 Cb 0.40 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2keq h VAL 22 CO 0.01 0.83 -0.31 -0.33 0.02 0.00 0.00 177.57 177.79 2keq h GLU 23 N 0.08 0.00 -0.11 1.57 4.39 -1.07 -3.17 114.58 116.27 2keq h GLU 23 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2keq h GLU 23 Cb 2.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.71 2keq h GLU 23 CO 0.15 0.31 0.00 1.63 -1.16 0.00 0.00 179.01 179.94 2keq n LYS 24 N -3.82 1.58 -4.02 2.33 4.76 -0.69 -5.02 118.16 113.28 2keq n LYS 24 Ca -0.01 -1.39 -0.30 0.00 -2.87 0.00 0.00 58.31 53.74 2keq n LYS 24 Cb 0.40 -1.13 -0.01 0.00 -1.84 0.00 0.00 35.03 32.44 2keq n LYS 24 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2keq n ARG 25 N 0.18 -3.91 -2.07 1.97 1.74 -0.34 -4.89 116.66 109.34 2keq n ARG 25 Ca 0.05 0.46 -0.42 0.00 -0.77 0.00 0.00 57.85 57.17 2keq n ARG 25 Cb 0.26 -5.01 -0.03 0.00 -1.02 0.00 0.00 32.46 26.66 2keq n ARG 25 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2keq s ILE 26 N -3.54 3.21 -0.49 0.55 1.01 0.27 -4.98 121.20 117.22 2keq s ILE 26 Ca 0.42 0.75 -0.16 0.00 0.00 0.00 0.00 60.65 61.66 2keq s ILE 26 Cb -0.22 -3.48 0.08 0.00 0.01 0.00 0.00 42.46 38.84 2keq s ILE 26 CO 0.88 0.02 0.45 -1.83 0.00 0.00 0.00 174.94 174.47 2keq s GLU 27 N 1.93 3.00 0.32 2.79 -1.05 -1.26 -4.93 118.70 119.50 2keq s GLU 27 Ca 0.68 -1.34 0.06 0.00 -0.15 0.00 0.00 54.97 54.22 2keq s GLU 27 Cb -0.37 -4.16 -0.02 0.00 -0.44 0.00 0.00 34.13 29.14 2keq s GLU 27 CO 0.30 -1.12 0.20 0.00 0.95 0.00 0.00 175.26 175.59 2keq s THR 29 N -3.07 2.77 0.25 0.00 2.01 -1.26 -2.01 115.64 114.33 2keq s THR 29 Ca 0.28 -1.15 0.10 0.00 0.31 0.00 0.00 61.69 61.23 2keq s THR 29 Cb 0.01 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 2keq s THR 29 CO 0.20 0.37 -0.16 0.68 -0.69 0.00 0.00 174.62 175.02 2keq s VAL 30 N -0.89 2.08 0.03 3.82 -7.23 0.07 -1.62 120.40 116.66 2keq s VAL 30 Ca 0.14 -2.29 -0.02 0.00 -1.81 0.00 0.00 61.98 58.00 2keq s VAL 30 Cb -0.10 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2keq s VAL 30 CO 0.05 -0.47 0.22 -0.31 -0.31 0.00 0.00 175.10 174.28 2keq s TYR 31 N -2.76 3.54 0.16 2.82 1.51 -1.25 -1.42 117.35 119.95 2keq s TYR 31 Ca 0.27 0.37 -0.22 0.00 -1.01 0.00 0.00 57.07 56.47 2keq s TYR 31 Cb -0.02 -1.84 0.07 0.00 -0.11 0.00 0.00 41.96 40.05 2keq s TYR 31 CO 0.11 0.60 0.58 0.45 -1.11 0.00 0.00 175.55 176.19 2keq s SER 32 N -2.16 -0.53 -0.24 2.29 0.15 -0.66 -0.72 113.70 111.83 2keq s SER 32 Ca 0.31 -0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.82 2keq s SER 32 Cb -0.13 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 2keq s SER 32 CO 0.22 -0.97 0.16 -0.69 1.20 0.00 0.00 173.24 173.17 2keq s VAL 33 N -3.76 5.36 1.17 4.45 1.01 -1.26 -0.86 120.40 126.52 2keq s VAL 33 Ca 0.01 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 2keq s VAL 33 Cb -0.01 -3.50 0.27 0.00 0.00 0.00 0.00 36.38 33.15 2keq s VAL 33 CO -0.13 0.35 1.10 -0.62 0.00 0.00 0.00 175.10 175.80 2keq s ASP 34 N 1.05 1.15 0.52 3.32 2.15 0.11 -4.86 116.67 120.10 2keq s ASP 34 Ca 0.07 0.72 0.25 0.00 0.43 0.00 0.00 52.55 54.03 2keq s ASP 34 Cb -0.13 -1.04 1.42 0.00 -0.30 0.00 0.00 42.92 42.87 2keq s ASP 34 CO 0.04 -3.99 2.09 0.78 -0.17 0.00 0.00 175.17 173.92 2keq h ASN 35 N -2.49 0.00 0.36 -0.34 4.21 -1.99 -1.41 115.58 113.92 2keq h ASN 35 Ca -0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.04 2keq h ASN 35 Cb 1.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 2keq h ASN 35 CO 0.38 0.11 -0.17 0.59 -1.29 0.00 0.00 177.43 177.05 2keq n ASN 36 N -3.85 0.61 0.00 5.81 3.02 -1.26 -4.96 115.26 114.63 2keq n ASN 36 Ca -0.02 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 2keq n ASN 36 Cb 0.20 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2keq n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2keq n GLY 37 N 1.32 0.49 3.77 7.41 0.00 -0.53 -5.07 105.19 112.58 2keq n GLY 37 Ca 0.13 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 2keq n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2keq s ASN 38 N -2.86 6.46 0.05 1.61 0.01 -1.26 -4.83 114.94 114.12 2keq s ASN 38 Ca 0.00 0.54 -0.30 0.00 -0.71 0.00 0.00 52.86 52.38 2keq s ASN 38 Cb 0.00 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.44 2keq s ASN 38 CO 0.00 0.19 1.21 -0.63 -1.51 0.00 0.00 177.10 176.36 2keq s ILE 39 N -0.01 4.03 0.36 0.60 1.01 -1.26 -0.71 121.20 125.23 2keq s ILE 39 Ca 0.16 1.45 0.07 0.00 0.00 0.00 0.00 60.65 62.33 2keq s ILE 39 Cb -0.13 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 2keq s ILE 39 CO 0.05 0.10 0.25 -0.72 0.00 0.00 0.00 174.94 174.61 2keq s TYR 40 N 1.25 1.78 0.03 3.97 1.13 -0.04 -4.96 117.35 120.52 2keq s TYR 40 Ca 0.59 -1.60 0.05 0.00 -1.41 0.00 0.00 57.07 54.70 2keq s TYR 40 Cb -0.29 -0.83 -0.02 0.00 -1.10 0.00 0.00 41.96 39.72 2keq s TYR 40 CO 0.28 -0.75 -0.15 0.95 -2.51 0.00 0.00 175.55 173.37 2keq s THR 41 N -3.36 1.18 -0.10 -3.49 -4.23 -1.26 -1.65 115.64 102.74 2keq s THR 41 Ca 0.36 -0.96 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 2keq s THR 41 Cb 0.02 -1.05 0.03 0.00 1.34 0.00 0.00 72.50 72.84 2keq s THR 41 CO 0.25 0.08 0.32 0.00 -0.54 0.00 0.00 174.62 174.73 2keq s GLN 42 N -1.01 0.45 0.59 3.99 -2.07 -0.51 -4.96 119.66 116.14 2keq s GLN 42 Ca 0.03 0.30 -0.15 0.00 -1.82 0.00 0.00 55.36 53.72 2keq s GLN 42 Cb -0.08 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 2keq s GLN 42 CO 0.01 -0.08 1.05 -1.25 -1.32 0.00 0.00 175.29 173.70 2keq s PRO 43 N -0.18 3.37 0.23 9.60 0.04 -1.26 -0.75 135.00 146.04 2keq s PRO 43 Ca -0.03 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 61.84 2keq s PRO 43 Cb -0.03 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 2keq s PRO 43 CO 0.01 -0.77 1.58 0.08 0.04 0.00 0.00 177.00 177.95 2keq s VAL 44 N -2.54 2.35 -0.18 -0.36 1.01 -0.85 -4.68 120.40 115.15 2keq s VAL 44 Ca 0.62 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.68 2keq s VAL 44 Cb -0.15 -3.17 -0.21 0.00 0.00 0.00 0.00 36.38 32.84 2keq s VAL 44 CO 0.38 0.03 0.31 0.00 0.00 0.00 0.00 175.10 175.82 2keq h ALA 45 N 5.88 0.25 -2.83 5.51 0.00 -1.37 -3.48 119.26 123.22 2keq h ALA 45 Ca -0.45 -1.16 -0.13 0.00 0.00 0.00 0.00 54.91 53.17 2keq h ALA 45 Cb 1.21 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 19.56 2keq h ALA 45 CO 0.86 0.73 -0.19 -0.65 0.00 0.00 0.00 179.25 180.00 2keq s GLN 46 N -2.39 1.61 -0.05 0.00 -1.52 -1.15 -4.96 119.66 111.20 2keq s GLN 46 Ca -0.26 -1.43 0.01 0.00 -1.95 0.00 0.00 55.36 51.73 2keq s GLN 46 Cb 0.05 0.44 0.02 0.00 -0.22 0.00 0.00 33.01 33.30 2keq s GLN 46 CO 0.64 -0.66 -0.07 -1.58 -0.25 0.00 0.00 175.29 173.37 2keq s TRP 47 N -3.75 1.01 -0.01 0.91 0.51 -1.26 -0.86 118.94 115.49 2keq s TRP 47 Ca 0.26 -0.33 0.02 0.00 -2.12 0.00 0.00 56.10 53.93 2keq s TRP 47 Cb 0.00 -0.82 -0.00 0.00 -0.81 0.00 0.00 33.47 31.84 2keq s TRP 47 CO 0.12 -0.23 -0.08 -1.01 -0.51 0.00 0.00 176.95 175.24 2keq s HIS 48 N 0.85 0.79 -0.13 -1.98 3.76 -0.37 -4.97 115.29 113.25 2keq s HIS 48 Ca -0.12 -0.17 -0.00 0.00 -0.15 0.00 0.00 55.06 54.62 2keq s HIS 48 Cb -0.15 -0.54 0.03 0.00 1.11 0.00 0.00 32.58 33.03 2keq s HIS 48 CO 0.01 -0.05 -0.07 0.16 -0.85 0.00 0.00 174.74 173.94 2keq s ASP 49 N -0.00 2.39 0.03 1.40 -4.77 -1.26 -1.62 116.67 112.83 2keq s ASP 49 Ca 0.00 -0.41 0.02 0.00 -3.30 0.00 0.00 52.55 48.86 2keq s ASP 49 Cb -0.05 -0.88 -0.25 0.00 -1.09 0.00 0.00 42.92 40.64 2keq s ASP 49 CO -0.00 -0.13 0.94 0.03 0.70 0.00 0.00 175.17 176.70 2keq h ARG 50 N 8.15 0.15 0.00 2.11 2.47 -1.87 -3.49 114.38 121.90 2keq h ARG 50 Ca -0.29 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.17 2keq h ARG 50 Cb 1.13 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2keq h ARG 50 CO 0.41 1.00 0.00 0.41 0.56 0.00 0.00 179.97 182.35 2keq n GLY 51 N 1.57 2.67 3.15 0.04 0.00 -1.24 -4.82 105.19 106.55 2keq n GLY 51 Ca -0.12 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.33 2keq n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2keq s GLU 52 N 0.00 0.21 0.25 1.61 2.02 -1.26 -3.87 118.70 117.66 2keq s GLU 52 Ca 0.00 0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.33 2keq s GLU 52 Cb 0.00 0.17 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 2keq s GLU 52 CO 0.00 -0.29 0.05 -0.65 0.02 0.00 0.00 175.26 174.39 2keq s GLN 53 N 2.94 1.39 -0.54 1.61 -0.21 -1.17 -4.94 119.66 118.75 2keq s GLN 53 Ca 0.09 -1.73 -0.27 0.00 0.02 0.00 0.00 55.36 53.47 2keq s GLN 53 Cb -0.08 -0.46 -0.03 0.00 1.00 0.00 0.00 33.01 33.44 2keq s GLN 53 CO -0.16 -0.20 1.94 -1.83 -2.12 0.00 0.00 175.29 172.92 2keq s GLU 54 N -3.95 2.66 -0.02 2.91 -1.05 -1.26 -3.22 118.70 114.77 2keq s GLU 54 Ca 0.33 0.89 -0.12 0.00 -0.15 0.00 0.00 54.97 55.92 2keq s GLU 54 Cb 0.07 -4.39 -0.05 0.00 -0.44 0.00 0.00 34.13 29.32 2keq s GLU 54 CO 0.11 -2.67 0.34 0.08 0.95 0.00 0.00 175.26 174.07 2keq s VAL 55 N 9.21 5.15 -0.00 1.83 1.01 -0.25 -4.09 120.40 133.27 2keq s VAL 55 Ca 0.74 0.64 0.07 0.00 0.00 0.00 0.00 61.98 63.44 2keq s VAL 55 Cb -0.15 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2keq s VAL 55 CO 0.24 0.56 -0.23 -0.36 0.00 0.00 0.00 175.10 175.31 2keq s PHE 56 N -1.10 2.03 0.14 5.22 0.40 -0.30 -1.58 117.98 122.78 2keq s PHE 56 Ca 0.23 -0.38 -0.31 0.00 -0.60 0.00 0.00 56.93 55.86 2keq s PHE 56 Cb -0.15 -1.28 -0.11 0.00 0.51 0.00 0.00 43.02 41.99 2keq s PHE 56 CO 0.12 0.00 1.80 -2.00 0.70 0.00 0.00 175.22 175.85 2keq s GLU 57 N -0.71 4.14 -0.62 0.44 2.12 0.19 -3.09 118.70 121.17 2keq s GLU 57 Ca 0.09 2.59 0.04 0.00 0.36 0.00 0.00 54.97 58.05 2keq s GLU 57 Cb -0.09 -3.50 0.16 0.00 0.26 0.00 0.00 34.13 30.96 2keq s GLU 57 CO -0.00 -0.82 0.41 -0.47 -0.54 0.00 0.00 175.26 173.84 2keq s TYR 58 N 2.45 3.12 0.27 5.30 5.04 0.02 -3.77 117.35 129.79 2keq s TYR 58 Ca 0.80 -3.13 -0.16 0.00 -2.44 0.00 0.00 57.07 52.13 2keq s TYR 58 Cb -0.46 -2.49 -0.08 0.00 0.35 0.00 0.00 41.96 39.27 2keq s TYR 58 CO 0.35 -0.63 0.71 0.00 -1.34 0.00 0.00 175.55 174.64 2keq s LEU 60 N -2.57 3.38 0.53 0.00 2.96 -0.33 -0.81 118.68 121.85 2keq s LEU 60 Ca 0.49 -0.68 0.29 0.00 -0.22 0.00 0.00 54.13 54.01 2keq s LEU 60 Cb -0.13 -1.91 1.49 0.00 0.50 0.00 0.00 46.19 46.14 2keq s LEU 60 CO 0.19 -0.34 2.07 -0.33 -1.32 0.00 0.00 176.35 176.62 2keq h GLU 61 N 1.42 0.00 0.00 1.98 4.39 -1.89 -1.98 114.58 118.50 2keq h GLU 61 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2keq h GLU 61 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2keq h GLU 61 CO 0.61 0.10 -0.23 0.38 -1.16 0.00 0.00 179.01 178.72 2keq h ASP 62 N 0.00 0.00 0.00 1.42 2.03 -1.96 -3.48 116.42 114.42 2keq h ASP 62 Ca -0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2keq h ASP 62 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 2keq h ASP 62 CO 0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 2keq n GLY 63 N 1.13 0.81 3.73 7.15 0.00 -0.74 -5.11 105.19 112.15 2keq n GLY 63 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2keq n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2keq n SER 64 N 0.00 3.15 -4.06 1.61 7.64 -1.26 -4.79 113.62 115.91 2keq n SER 64 Ca 0.00 1.18 -0.26 0.00 1.01 0.00 0.00 58.87 60.80 2keq n SER 64 Cb 0.00 -1.55 -0.17 0.00 -1.01 0.00 0.00 64.21 61.48 2keq n SER 64 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2keq s LEU 65 N -1.76 1.73 0.02 -3.43 2.96 -1.26 -1.18 118.68 115.76 2keq s LEU 65 Ca 0.57 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 2keq s LEU 65 Cb -0.51 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 2keq s LEU 65 CO 0.61 0.06 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.04 2keq s ILE 66 N 0.59 0.15 -0.20 6.68 1.01 -0.50 -5.00 121.20 123.94 2keq s ILE 66 Ca -0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.52 2keq s ILE 66 Cb -0.16 -0.32 0.06 0.00 0.01 0.00 0.00 42.46 42.05 2keq s ILE 66 CO 0.05 -0.50 0.03 -0.13 0.00 0.00 0.00 174.94 174.39 2keq s ARG 67 N -1.53 0.71 0.20 2.79 0.52 -1.26 -0.80 118.95 119.58 2keq s ARG 67 Ca -0.15 -0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 54.56 2keq s ARG 67 Cb -0.10 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 2keq s ARG 67 CO -0.01 -0.65 0.19 0.00 0.02 0.00 0.00 175.30 174.85 2keq s ALA 68 N 1.83 0.89 0.30 2.13 0.00 -1.18 -1.39 121.76 124.34 2keq s ALA 68 Ca -0.01 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.27 2keq s ALA 68 Cb -0.17 1.29 -0.09 0.00 0.00 0.00 0.00 23.12 24.15 2keq s ALA 68 CO -0.08 -0.63 0.72 0.95 0.00 0.00 0.00 175.76 176.72 2keq s THR 69 N -4.13 4.69 0.14 0.00 -4.23 -1.07 -1.15 115.64 109.89 2keq s THR 69 Ca 0.35 0.95 0.32 0.00 -1.18 0.00 0.00 61.69 62.13 2keq s THR 69 Cb 0.06 -3.64 0.33 0.00 1.34 0.00 0.00 72.50 70.59 2keq s THR 69 CO 0.11 -0.13 1.98 0.11 -0.54 0.00 0.00 174.62 176.15 2keq h LYS 70 N 2.43 0.00 0.00 3.99 1.57 -1.93 -1.98 116.57 120.64 2keq h LYS 70 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2keq h LYS 70 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2keq h LYS 70 CO 0.66 0.00 -0.47 -0.25 -0.57 0.00 0.00 179.45 178.81 2keq n ASP 71 N -2.67 0.69 -4.73 0.86 8.00 -1.26 -4.03 116.55 113.41 2keq n ASP 71 Ca -0.01 0.20 -0.41 0.00 0.71 0.00 0.00 54.79 55.28 2keq n ASP 71 Cb 0.10 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.10 2keq n ASP 71 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2keq s HIS 72 N -3.14 3.81 0.22 1.24 2.46 -0.75 -3.27 115.29 115.86 2keq s HIS 72 Ca 0.08 1.79 -0.05 0.00 0.47 0.00 0.00 55.06 57.35 2keq s HIS 72 Cb 0.14 -3.07 -0.05 0.00 -0.13 0.00 0.00 32.58 29.46 2keq s HIS 72 CO 0.69 0.14 0.47 0.15 -2.47 0.00 0.00 174.74 173.71 2keq s LYS 73 N -0.21 3.64 -0.04 2.88 3.01 -1.19 -2.73 119.74 125.10 2keq s LYS 73 Ca 0.46 -0.04 0.01 0.00 -1.01 0.00 0.00 55.97 55.39 2keq s LYS 73 Cb -0.24 -2.74 0.02 0.00 -1.01 0.00 0.00 37.83 33.86 2keq s LYS 73 CO 0.31 0.34 -0.02 -0.06 0.51 0.00 0.00 175.35 176.43 2keq s PHE 74 N -1.87 0.56 -0.38 3.18 0.40 -0.84 -1.13 117.98 117.90 2keq s PHE 74 Ca 0.43 -0.12 -0.29 0.00 -0.60 0.00 0.00 56.93 56.35 2keq s PHE 74 Cb -0.11 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.86 2keq s PHE 74 CO 0.27 -0.17 1.40 1.41 0.70 0.00 0.00 175.22 178.82 2keq s MET 75 N 1.01 3.66 1.07 0.44 1.75 -0.75 -3.79 119.30 122.69 2keq s MET 75 Ca -0.10 1.05 -0.15 0.00 -1.25 0.00 0.00 55.69 55.24 2keq s MET 75 Cb -0.14 -3.99 0.22 0.00 2.84 0.00 0.00 34.83 33.76 2keq s MET 75 CO -0.01 -1.45 1.12 0.95 -0.65 0.00 0.00 175.02 174.98 2keq s THR 76 N 5.19 1.84 0.61 10.11 -4.23 -0.83 -2.76 115.64 125.58 2keq s THR 76 Ca 0.61 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 61.42 2keq s THR 76 Cb -0.15 -2.55 0.36 0.00 1.34 0.00 0.00 72.50 71.50 2keq s THR 76 CO 0.30 0.00 2.07 -0.37 -0.54 0.00 0.00 174.62 176.08 2keq h VAL 77 N -2.11 0.32 -0.01 2.29 -1.51 -1.32 -0.66 116.25 113.26 2keq h VAL 77 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2keq h VAL 77 Cb 1.31 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 2keq h VAL 77 CO 0.48 0.00 -0.37 0.47 -1.23 0.00 0.00 177.57 176.92 2keq n ASP 78 N -3.54 0.97 0.00 4.19 8.00 -1.26 -4.93 116.55 119.97 2keq n ASP 78 Ca 0.01 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.74 2keq n ASP 78 Cb 0.35 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2keq n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2keq n GLY 79 N 1.40 0.77 3.69 0.44 0.00 -0.25 -5.06 105.19 106.17 2keq n GLY 79 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2keq n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2keq s GLN 80 N -0.79 4.41 -1.23 1.61 -0.21 -1.26 -4.72 119.66 117.47 2keq s GLN 80 Ca 0.00 1.55 -0.13 0.00 0.02 0.00 0.00 55.36 56.79 2keq s GLN 80 Cb 0.00 -3.52 0.16 0.00 1.00 0.00 0.00 33.01 30.65 2keq s GLN 80 CO 0.00 -0.33 1.54 0.00 -2.12 0.00 0.00 175.29 174.37 2keq n MET 81 N 4.85 3.38 -4.07 2.91 0.00 -1.26 -1.96 117.12 120.97 2keq n MET 81 Ca 0.09 -3.74 -0.32 0.00 0.00 0.00 0.00 57.70 53.74 2keq n MET 81 Cb 0.48 -3.07 -0.07 0.00 0.00 0.00 0.00 33.22 30.56 2keq n MET 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2keq s LEU 82 N 1.59 3.87 0.53 3.17 1.43 -1.25 -4.83 118.68 123.20 2keq s LEU 82 Ca 0.44 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.40 2keq s LEU 82 Cb -0.00 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 2keq s LEU 82 CO 0.01 0.22 1.24 -2.16 0.23 0.00 0.00 176.35 175.89 2keq s PRO 83 N -2.08 3.30 0.52 1.29 0.04 -1.26 -1.98 135.00 134.83 2keq s PRO 83 Ca 0.26 1.93 0.19 0.00 0.04 0.00 0.00 61.00 63.42 2keq s PRO 83 Cb -0.12 -2.19 1.35 0.00 0.04 0.00 0.00 34.50 33.58 2keq s PRO 83 CO 0.18 -0.97 2.15 0.97 0.04 0.00 0.00 177.00 179.37 2keq h ILE 84 N 1.39 0.91 -0.21 0.56 2.10 -1.65 0.20 117.51 120.81 2keq h ILE 84 Ca -0.50 -0.11 0.06 0.00 1.08 0.00 0.00 64.86 65.39 2keq h ILE 84 Cb 1.28 1.06 -0.01 0.00 -1.09 0.00 0.00 36.82 38.06 2keq h ILE 84 CO 0.57 0.03 0.18 -0.78 -1.08 0.00 0.00 178.15 177.08 2keq h ASP 85 N 0.00 0.00 0.20 2.19 3.58 -1.90 -2.30 116.42 118.19 2keq h ASP 85 Ca -0.00 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.12 2keq h ASP 85 Cb 0.06 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.12 2keq h ASP 85 CO 0.00 0.00 -1.58 -0.08 -2.88 0.00 0.00 179.24 174.71 2keq h GLU 86 N 0.00 0.42 -0.75 0.28 4.57 -1.31 -3.38 114.58 114.41 2keq h GLU 86 Ca 0.10 -0.72 -0.01 0.00 -1.18 0.00 0.00 59.36 57.56 2keq h GLU 86 Cb 0.47 0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 2keq h GLU 86 CO -0.00 1.34 0.45 0.82 -1.18 0.00 0.00 179.01 180.44 2keq h ILE 87 N 0.04 1.21 -0.54 2.32 2.04 -1.19 -1.66 117.51 119.73 2keq h ILE 87 Ca -0.30 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2keq h ILE 87 Cb 2.06 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2keq h ILE 87 CO 0.19 0.22 0.31 0.15 0.00 0.00 0.00 178.15 179.03 2keq h PHE 88 N 1.04 0.71 0.02 1.37 3.57 -1.65 -0.85 116.94 121.14 2keq h PHE 88 Ca 0.27 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 2keq h PHE 88 Cb -0.04 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.48 2keq h PHE 88 CO 0.00 0.49 -0.21 0.93 -2.23 0.00 0.00 178.31 177.29 2keq h GLU 89 N 0.75 0.12 0.00 1.11 5.08 -1.49 -3.28 114.58 116.86 2keq h GLU 89 Ca 0.19 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2keq h GLU 89 Cb -0.01 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2keq h GLU 89 CO -0.03 0.95 0.00 0.54 -1.00 0.00 0.00 179.01 179.47 2keq n ARG 90 N -4.52 0.18 -2.81 2.33 3.00 -0.95 -4.91 116.66 108.98 2keq n ARG 90 Ca -0.10 0.38 -0.20 0.00 -0.01 0.00 0.00 57.85 57.92 2keq n ARG 90 Cb 0.51 -1.83 0.01 0.00 0.00 0.00 0.00 32.46 31.15 2keq n ARG 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2keq n GLU 91 N -2.17 -3.23 -2.29 5.56 1.02 -0.34 -4.97 120.64 114.23 2keq n GLU 91 Ca 0.03 0.77 -0.40 0.00 -0.02 0.00 0.00 57.16 57.53 2keq n GLU 91 Cb 0.25 -5.49 -0.03 0.00 -0.02 0.00 0.00 31.44 26.14 2keq n GLU 91 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2keq s LEU 92 N -6.24 4.46 0.22 -4.62 1.43 -1.14 -4.83 118.68 107.97 2keq s LEU 92 Ca 0.18 2.48 -0.15 0.00 -1.03 0.00 0.00 54.13 55.61 2keq s LEU 92 Cb -0.09 -3.67 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 2keq s LEU 92 CO 0.22 -0.37 0.64 -1.81 0.23 0.00 0.00 176.35 175.26 2keq s ASP 93 N -0.71 6.86 0.50 2.29 1.01 -1.26 -4.58 116.67 120.78 2keq s ASP 93 Ca 0.48 1.20 -0.18 0.00 0.71 0.00 0.00 52.55 54.76 2keq s ASP 93 Cb -0.36 -2.34 -0.08 0.00 1.01 0.00 0.00 42.92 41.15 2keq s ASP 93 CO 0.47 -0.01 0.99 -0.76 0.21 0.00 0.00 175.17 176.06 2keq s LEU 94 N -2.30 3.69 0.50 1.23 1.02 -1.23 -1.06 118.68 120.54 2keq s LEU 94 Ca 0.44 1.64 -0.21 0.00 0.02 0.00 0.00 54.13 56.02 2keq s LEU 94 Cb -0.14 -4.52 -0.07 0.00 0.02 0.00 0.00 46.19 41.48 2keq s LEU 94 CO 0.20 -0.60 1.09 -0.32 0.02 0.00 0.00 176.35 176.73 2keq s MET 95 N -3.83 3.66 0.31 1.70 1.75 -1.11 -4.48 119.30 117.30 2keq s MET 95 Ca 0.60 1.52 0.05 0.00 -1.25 0.00 0.00 55.69 56.61 2keq s MET 95 Cb -0.11 -2.14 -0.06 0.00 2.84 0.00 0.00 34.83 35.37 2keq s MET 95 CO 0.27 -0.57 0.01 -0.98 -0.65 0.00 0.00 175.02 173.09 2keq s ARG 96 N -3.12 1.62 -0.01 4.11 3.03 -1.26 -3.77 118.95 119.55 2keq s ARG 96 Ca 0.68 -1.87 0.01 0.00 2.03 0.00 0.00 55.73 56.58 2keq s ARG 96 Cb -0.21 -1.03 -0.02 0.00 -1.03 0.00 0.00 34.95 32.66 2keq s ARG 96 CO 0.25 -0.09 0.02 1.33 -1.13 0.00 0.00 175.30 175.68 2keq n VAL 97 N -0.66 0.03 1.23 4.99 0.24 -1.23 -4.66 118.33 118.27 2keq n VAL 97 Ca -0.04 -0.04 0.10 0.00 -2.04 0.00 0.00 64.34 62.32 2keq n VAL 97 Cb 0.65 -0.07 0.35 0.00 -1.47 0.00 0.00 33.84 33.30 2keq n VAL 97 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2keq n ASP 98 N -1.74 1.58 -1.22 -1.34 9.92 -1.26 -4.92 116.55 117.57 2keq n ASP 98 Ca -0.01 -1.74 -0.16 0.00 -0.53 0.00 0.00 54.79 52.35 2keq n ASP 98 Cb 0.23 -0.12 -0.07 0.00 -0.64 0.00 0.00 41.12 40.52 2keq n ASP 98 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2keq n ASN 99 N 0.28 -4.97 -4.37 -2.24 3.02 -1.26 -5.00 115.26 100.72 2keq n ASN 99 Ca 0.15 0.40 -0.35 0.00 -0.03 0.00 0.00 54.58 54.75 2keq n ASN 99 Cb 0.31 -3.88 0.08 0.00 -0.61 0.00 0.00 39.78 35.68 2keq n ASN 99 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2keq n LEU 100 N -1.82 -0.76 -4.76 3.41 4.77 -1.26 -4.96 117.00 111.63 2keq n LEU 100 Ca -0.16 0.44 -0.38 0.00 -0.03 0.00 0.00 56.01 55.87 2keq n LEU 100 Cb 0.53 -1.13 0.01 0.00 -2.33 0.00 0.00 43.42 40.51 2keq n LEU 100 CO 0.24 -3.81 0.94 -2.16 -1.33 0.00 0.00 177.39 171.28 2keq s PRO 101 N -2.90 3.55 -0.07 3.23 0.04 -1.26 -4.95 135.00 132.64 2keq s PRO 101 Ca 0.58 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.43 2keq s PRO 101 Cb -0.28 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 2keq s PRO 101 CO 0.66 -0.82 1.57 -0.80 0.04 0.00 0.00 177.00 177.65 2keq s ASN 102 N -0.98 6.72 0.08 6.66 -0.87 -1.26 -4.99 114.94 120.30 2keq s ASN 102 Ca 0.65 2.15 -0.07 0.00 -1.57 0.00 0.00 52.86 54.02 2keq s ASN 102 Cb -0.37 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.31 2keq s ASN 102 CO 0.45 -0.89 0.13 0.27 -2.57 0.00 0.00 177.10 174.50 2keq s ILE 103 N 3.81 0.16 0.44 0.60 -4.36 -1.26 -5.01 121.20 115.58 2keq s ILE 103 Ca 0.70 -1.33 0.03 0.00 -0.26 0.00 0.00 60.65 59.78 2keq s ILE 103 Cb -0.31 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.02 2keq s ILE 103 CO 0.27 -0.74 0.11 2.29 0.24 0.00 0.00 174.94 177.12 2keq n LYS 104 N 0.02 0.62 -1.55 0.37 -0.00 -1.26 -3.46 118.16 112.88 2keq n LYS 104 Ca -0.15 -3.57 -0.46 0.00 -0.00 0.00 0.00 58.31 54.13 2keq n LYS 104 Cb 0.62 1.70 -0.04 0.00 -0.00 0.00 0.00 35.03 37.30 2keq n LYS 104 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2keq n ILE 105 N -1.02 0.31 -0.04 0.58 5.41 -1.26 -3.49 119.36 119.85 2keq n ILE 105 Ca -0.10 -0.38 -0.16 0.00 1.00 0.00 0.00 62.75 63.12 2keq n ILE 105 Cb 0.63 -2.23 -0.06 0.00 -0.71 0.00 0.00 39.64 37.26 2keq n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2keq h ALA 106 N 13.89 0.33 -2.68 -1.39 0.00 -1.23 -3.48 119.26 124.70 2keq h ALA 106 Ca -0.37 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 53.92 2keq h ALA 106 Cb 1.27 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2keq h ALA 106 CO 0.98 0.61 -0.20 0.95 0.00 0.00 0.00 179.25 181.59 2keq s THR 107 N -3.88 0.08 0.01 0.00 -4.23 -1.25 -5.01 115.64 101.36 2keq s THR 107 Ca -0.11 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2keq s THR 107 Cb 0.08 -1.48 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 2keq s THR 107 CO 0.88 -0.36 -0.04 -0.60 -0.54 0.00 0.00 174.62 173.97 2keq s ARG 108 N -3.88 0.29 -0.24 3.99 6.06 -1.26 -3.80 118.95 120.11 2keq s ARG 108 Ca 0.09 -0.34 -0.12 0.00 -2.50 0.00 0.00 55.73 52.86 2keq s ARG 108 Cb 0.02 -0.15 0.08 0.00 0.06 0.00 0.00 34.95 34.97 2keq s ARG 108 CO -0.07 0.03 0.57 0.21 -2.50 0.00 0.00 175.30 173.55 2keq s LYS 109 N -0.66 0.55 0.05 5.12 2.20 -1.25 -5.01 119.74 120.74 2keq s LYS 109 Ca -0.05 1.12 -0.30 0.00 -0.36 0.00 0.00 55.97 56.38 2keq s LYS 109 Cb -0.05 0.24 -0.08 0.00 -1.51 0.00 0.00 37.83 36.43 2keq s LYS 109 CO -0.00 -0.17 1.72 -0.47 -0.36 0.00 0.00 175.35 176.06 2keq s TYR 110 N 1.90 2.13 -0.15 4.03 5.04 -1.26 -0.64 117.35 128.41 2keq s TYR 110 Ca -0.08 0.14 -0.10 0.00 -2.44 0.00 0.00 57.07 54.58 2keq s TYR 110 Cb -0.08 -4.02 -0.24 0.00 0.35 0.00 0.00 41.96 37.97 2keq s TYR 110 CO -0.17 -4.23 0.30 1.28 -1.34 0.00 0.00 175.55 171.39 2keq n LEU 111 N 6.21 2.44 0.00 6.97 4.77 -0.62 -4.90 117.00 131.87 2keq n LEU 111 Ca 0.17 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2keq n LEU 111 Cb 0.41 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2keq n LEU 111 CO 0.64 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 2keq n GLY 112 N 1.85 0.30 2.49 -0.72 0.00 -1.16 -5.04 105.19 102.91 2keq n GLY 112 Ca -0.33 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 2keq n GLY 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2keq n LYS 113 N 0.00 0.86 -3.52 1.61 4.81 -1.26 -1.09 118.16 119.56 2keq n LYS 113 Ca 0.00 -3.63 -0.26 0.00 -0.87 0.00 0.00 58.31 53.56 2keq n LYS 113 Cb 0.00 -1.80 -0.02 0.00 0.02 0.00 0.00 35.03 33.22 2keq n LYS 113 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2keq s GLN 114 N -0.70 3.52 -0.03 1.64 -0.21 -1.20 -4.71 119.66 117.97 2keq s GLN 114 Ca 0.32 -0.30 -0.30 0.00 0.02 0.00 0.00 55.36 55.10 2keq s GLN 114 Cb 0.05 -2.74 -0.07 0.00 1.00 0.00 0.00 33.01 31.25 2keq s GLN 114 CO -0.17 0.27 1.94 1.21 -2.12 0.00 0.00 175.29 176.42 2keq s ASN 115 N -3.57 6.32 0.14 5.90 3.04 -1.25 -3.06 114.94 122.47 2keq s ASN 115 Ca 0.40 2.43 0.09 0.00 0.04 0.00 0.00 52.86 55.82 2keq s ASN 115 Cb -0.10 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.04 2keq s ASN 115 CO 0.32 -1.19 -0.22 0.68 -3.04 0.00 0.00 177.10 173.65 2keq s VAL 116 N 5.03 1.97 0.05 -5.21 -7.23 -1.26 -3.91 120.40 109.85 2keq s VAL 116 Ca 0.87 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 2keq s VAL 116 Cb -0.39 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2keq s VAL 116 CO 0.38 -0.09 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.74 2keq s TYR 117 N -1.41 0.52 -0.20 2.82 1.51 0.07 -2.45 117.35 118.19 2keq s TYR 117 Ca 0.13 -1.02 -0.14 0.00 -1.01 0.00 0.00 57.07 55.02 2keq s TYR 117 Cb -0.09 -0.38 0.06 0.00 -0.11 0.00 0.00 41.96 41.44 2keq s TYR 117 CO 0.06 -0.35 0.52 0.16 -1.11 0.00 0.00 175.55 174.83 2keq s ASP 118 N -2.80 -0.62 0.29 2.29 -4.77 -0.64 -1.09 116.67 109.33 2keq s ASP 118 Ca 0.05 1.09 -0.05 0.00 -3.30 0.00 0.00 52.55 50.34 2keq s ASP 118 Cb 0.06 1.03 -0.05 0.00 -1.09 0.00 0.00 42.92 42.87 2keq s ASP 118 CO -0.09 -0.20 0.56 0.27 0.70 0.00 0.00 175.17 176.41 2keq s ILE 119 N 0.98 5.01 0.21 2.11 -4.36 -1.26 -1.23 121.20 122.65 2keq s ILE 119 Ca -0.06 0.11 0.06 0.00 -0.26 0.00 0.00 60.65 60.50 2keq s ILE 119 Cb -0.06 -3.72 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 2keq s ILE 119 CO -0.09 -0.31 0.22 -0.83 0.24 0.00 0.00 174.94 174.17 2keq s GLY 120 N -3.10 1.50 -0.10 6.27 0.00 -0.04 -4.94 107.32 106.91 2keq s GLY 120 Ca 0.44 -1.28 -0.09 0.00 0.00 0.00 0.00 44.72 43.79 2keq s GLY 120 CO 0.29 -1.31 0.27 0.14 0.00 0.00 0.00 173.10 172.50 2keq s VAL 121 N -1.95 0.00 -0.03 1.40 1.01 -1.26 -0.90 120.40 118.67 2keq s VAL 121 Ca 0.33 -0.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 2keq s VAL 121 Cb -0.09 -0.39 -0.29 0.00 0.00 0.00 0.00 36.38 35.61 2keq s VAL 121 CO 0.26 -0.01 0.96 -0.33 0.00 0.00 0.00 175.10 175.97 2keq h GLU 122 N 5.67 0.33 0.54 2.72 4.39 -1.95 -3.39 114.58 122.89 2keq h GLU 122 Ca -0.26 -0.48 -0.03 0.00 0.34 0.00 0.00 59.36 58.93 2keq h GLU 122 Cb 1.19 0.17 0.01 0.00 -0.10 0.00 0.00 28.75 30.01 2keq h GLU 122 CO 0.34 1.19 -0.26 0.00 -1.16 0.00 0.00 179.01 179.12 2keq h ARG 123 N -0.30 -0.70 -2.17 2.33 -0.00 -1.98 -3.46 114.38 108.09 2keq h ARG 123 Ca -0.12 0.05 -0.01 0.00 -0.50 0.00 0.00 59.98 59.40 2keq h ARG 123 Cb 1.53 0.16 -0.22 0.00 0.00 0.00 0.00 29.97 31.43 2keq h ARG 123 CO 0.14 -0.40 -0.08 0.34 0.00 0.00 0.00 179.97 179.97 2keq s ASP 124 N -4.70 -0.84 -0.00 7.04 -1.08 -1.26 -5.08 116.67 110.75 2keq s ASP 124 Ca -0.14 1.36 -0.00 0.00 -0.52 0.00 0.00 52.55 53.24 2keq s ASP 124 Cb 0.02 1.31 -0.01 0.00 -1.46 0.00 0.00 42.92 42.78 2keq s ASP 124 CO 0.49 -0.23 0.56 0.00 0.52 0.00 0.00 175.17 176.51 2keq n HIS 125 N 4.42 0.00 -3.88 -5.34 1.44 -1.26 -4.74 115.22 105.86 2keq n HIS 125 Ca -0.20 -0.03 -0.09 0.00 -2.01 0.00 0.00 57.72 55.39 2keq n HIS 125 Cb 0.57 -0.42 -0.07 0.00 0.12 0.00 0.00 29.99 30.18 2keq n HIS 125 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2keq s ASN 126 N 2.98 0.15 -0.02 4.39 4.22 -1.26 -1.12 114.94 124.28 2keq s ASN 126 Ca 0.01 -0.70 -0.28 0.00 -2.14 0.00 0.00 52.86 49.75 2keq s ASN 126 Cb 0.01 0.33 0.10 0.00 1.28 0.00 0.00 41.25 42.96 2keq s ASN 126 CO -0.00 -0.72 0.82 0.72 -2.04 0.00 0.00 177.10 175.87 2keq s PHE 127 N -3.87 -0.45 -0.11 1.54 -0.12 -0.51 -4.81 117.98 109.65 2keq s PHE 127 Ca 0.06 0.53 -0.10 0.00 -0.05 0.00 0.00 56.93 57.36 2keq s PHE 127 Cb 0.05 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.89 2keq s PHE 127 CO -0.10 -0.57 0.23 0.00 -0.05 0.00 0.00 175.22 174.73 2keq s ALA 128 N -2.34 3.77 0.76 1.99 0.00 0.10 -1.41 121.76 124.63 2keq s ALA 128 Ca -0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 2keq s ALA 128 Cb -0.01 -2.16 0.06 0.00 0.00 0.00 0.00 23.12 21.01 2keq s ALA 128 CO -0.03 0.45 1.13 -0.51 0.00 0.00 0.00 175.76 176.80 2keq s LEU 129 N -0.65 2.68 0.41 0.00 1.02 0.38 -2.87 118.68 119.65 2keq s LEU 129 Ca 0.17 0.85 0.16 0.00 0.02 0.00 0.00 54.13 55.32 2keq s LEU 129 Cb -0.13 -3.46 1.03 0.00 0.02 0.00 0.00 46.19 43.65 2keq s LEU 129 CO 0.06 -1.67 1.86 0.07 0.02 0.00 0.00 176.35 176.68 2keq h LYS 130 N -0.85 0.45 0.00 1.70 2.10 -1.53 -2.03 116.57 116.40 2keq h LYS 130 Ca -0.45 -0.03 -0.20 0.00 -2.00 0.00 0.00 60.65 57.97 2keq h LYS 130 Cb 1.30 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.50 2keq h LYS 130 CO 0.65 0.29 -1.06 -0.91 -2.00 0.00 0.00 179.45 176.42 2keq h ASN 131 N 0.46 0.00 0.00 7.07 4.21 -1.94 -3.48 115.58 121.90 2keq h ASN 131 Ca 0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.98 2keq h ASN 131 Cb 1.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.29 2keq h ASN 131 CO -0.19 0.83 0.00 0.61 -1.29 0.00 0.00 177.43 177.39 2keq n GLY 132 N 1.36 1.54 3.68 2.83 0.00 -0.76 -4.47 105.19 109.37 2keq n GLY 132 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2keq n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2keq s PHE 133 N -0.93 1.62 -0.13 1.61 0.08 -1.25 -3.58 117.98 115.40 2keq s PHE 133 Ca 0.00 1.78 0.01 0.00 0.12 0.00 0.00 56.93 58.85 2keq s PHE 133 Cb 0.00 -3.38 -0.01 0.00 -0.57 0.00 0.00 43.02 39.07 2keq s PHE 133 CO 0.00 -2.85 -0.17 0.42 -0.10 0.00 0.00 175.22 172.52 2keq s ILE 134 N -2.56 2.65 -0.01 0.64 -1.09 -1.25 -0.47 121.20 119.11 2keq s ILE 134 Ca 0.68 -0.80 -0.02 0.00 -2.23 0.00 0.00 60.65 58.28 2keq s ILE 134 Cb -0.24 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.51 2keq s ILE 134 CO 0.57 0.53 0.13 0.00 -1.23 0.00 0.00 174.94 174.94 2keq s ALA 135 N 0.48 3.75 0.00 9.38 0.00 -0.50 -1.81 121.76 133.06 2keq s ALA 135 Ca -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2keq s ALA 135 Cb -0.16 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 2keq s ALA 135 CO 0.05 0.71 -0.02 -1.12 0.00 0.00 0.00 175.76 175.38 2keq s SER 136 N -1.79 0.21 0.00 0.00 0.01 -0.29 -1.42 113.70 110.43 2keq s SER 136 Ca 0.24 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2keq s SER 136 Cb -0.12 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2keq s SER 136 CO 0.15 -0.04 0.41 -0.46 0.41 0.00 0.00 173.24 173.71