#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2keq s GLY 0 N 0.00 1.58 0.33 -0.02 0.00 -1.26 -4.78 107.32 103.17 2keq s GLY 0 Ca 0.00 -1.76 -0.18 0.00 0.00 0.00 0.00 44.72 42.79 2keq s GLY 0 CO 0.00 -1.78 0.84 0.00 0.00 0.00 0.00 173.10 172.17 2keq s ALA 1 N -3.03 -0.98 0.03 3.20 0.00 -1.26 -4.77 121.76 114.95 2keq s ALA 1 Ca 0.25 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.68 2keq s ALA 1 Cb 0.02 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 2keq s ALA 1 CO 0.09 -1.01 -0.20 -0.51 0.00 0.00 0.00 175.76 174.13 2keq s LEU 2 N -3.13 2.50 0.88 0.00 2.01 -0.49 -2.07 118.68 118.38 2keq s LEU 2 Ca 0.16 -0.44 -0.11 0.00 0.01 0.00 0.00 54.13 53.75 2keq s LEU 2 Cb -0.05 -1.46 0.12 0.00 0.01 0.00 0.00 46.19 44.81 2keq s LEU 2 CO 0.10 0.27 1.09 -0.55 1.01 0.00 0.00 176.35 178.26 2keq s SER 3 N -1.30 3.59 0.27 2.29 0.15 -0.33 -0.64 113.70 117.73 2keq s SER 3 Ca 0.14 1.61 -0.00 0.00 0.70 0.00 0.00 55.95 58.40 2keq s SER 3 Cb -0.10 -2.28 0.58 0.00 -1.71 0.00 0.00 66.02 62.50 2keq s SER 3 CO 0.04 -2.58 1.74 0.22 1.20 0.00 0.00 173.24 173.86 2keq h TYR 4 N -1.51 0.69 0.00 3.44 5.03 -1.91 -1.74 116.97 120.98 2keq h TYR 4 Ca -0.48 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.87 2keq h TYR 4 Cb 1.27 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 39.37 2keq h TYR 4 CO 0.46 0.10 0.00 0.39 -1.32 0.00 0.00 178.16 177.79 2keq n GLU 5 N -4.94 0.14 -2.21 1.82 1.02 -1.26 -3.87 120.64 111.34 2keq n GLU 5 Ca 0.18 0.49 -0.43 0.00 -0.02 0.00 0.00 57.16 57.39 2keq n GLU 5 Cb 0.50 -1.84 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 2keq n GLU 5 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2keq s THR 6 N -3.35 3.91 -0.12 2.62 2.01 -0.65 -4.95 115.64 115.11 2keq s THR 6 Ca 0.02 1.12 -0.06 0.00 0.31 0.00 0.00 61.69 63.08 2keq s THR 6 Cb 0.08 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2keq s THR 6 CO 0.28 -0.09 0.09 -1.61 -0.69 0.00 0.00 174.62 172.61 2keq s GLU 7 N 3.67 3.41 -0.19 4.92 2.02 -1.26 -1.12 118.70 130.15 2keq s GLU 7 Ca 0.64 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.41 2keq s GLU 7 Cb -0.28 -3.10 0.03 0.00 0.10 0.00 0.00 34.13 30.89 2keq s GLU 7 CO 0.22 0.68 -0.13 0.42 0.02 0.00 0.00 175.26 176.47 2keq s ILE 8 N -0.76 1.75 0.08 -1.63 -1.09 -0.02 -1.97 121.20 117.55 2keq s ILE 8 Ca 0.13 -0.95 -0.31 0.00 -2.23 0.00 0.00 60.65 57.29 2keq s ILE 8 Cb -0.12 -1.73 -0.09 0.00 -1.58 0.00 0.00 42.46 38.94 2keq s ILE 8 CO 0.03 0.30 1.73 -0.22 -1.23 0.00 0.00 174.94 175.55 2keq s LEU 9 N 1.37 4.38 0.21 2.97 0.20 -1.24 -3.01 118.68 123.57 2keq s LEU 9 Ca 0.01 2.58 0.11 0.00 0.69 0.00 0.00 54.13 57.52 2keq s LEU 9 Cb -0.15 -3.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 2keq s LEU 9 CO -0.09 -0.94 -0.19 0.42 -0.29 0.00 0.00 176.35 175.25 2keq s THR 10 N 2.88 2.60 0.12 3.68 -4.23 -0.18 -3.94 115.64 116.57 2keq s THR 10 Ca 0.77 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 59.20 2keq s THR 10 Cb -0.42 -2.29 -0.21 0.00 1.34 0.00 0.00 72.50 70.92 2keq s THR 10 CO 0.34 -0.19 1.26 0.58 -0.54 0.00 0.00 174.62 176.07 2keq h VAL 11 N 2.84 1.42 -0.13 2.29 2.07 -1.45 -2.61 116.25 120.67 2keq h VAL 11 Ca -0.45 -2.57 -0.09 0.00 0.82 0.00 0.00 66.70 64.41 2keq h VAL 11 Cb 1.22 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 2keq h VAL 11 CO 0.52 0.76 -0.31 -0.33 0.02 0.00 0.00 177.57 178.24 2keq h GLU 12 N 0.20 0.25 0.00 1.57 4.39 -1.97 -3.42 114.58 115.60 2keq h GLU 12 Ca -0.09 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2keq h GLU 12 Cb 1.67 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 2keq h GLU 12 CO 0.17 0.54 0.00 0.66 -1.16 0.00 0.00 179.01 179.23 2keq n TYR 13 N -4.11 -0.09 0.00 4.33 4.01 -1.26 -5.10 117.16 114.93 2keq n TYR 13 Ca -0.01 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2keq n TYR 13 Cb 0.41 0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 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 1.48 0.45 3.55 2.72 0.00 -0.98 -4.96 105.19 107.45 2keq n GLY 14 Ca 0.00 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 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 3.23 0.07 0.99 1.43 -1.26 -1.02 118.68 122.13 2keq s LEU 15 Ca 0.00 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 2keq s LEU 15 Cb 0.00 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 2keq s LEU 15 CO 0.00 -2.63 -0.15 -0.76 0.23 0.00 0.00 176.35 173.04 2keq s LEU 16 N 10.03 2.27 0.14 1.79 2.01 -1.16 -4.91 118.68 128.85 2keq s LEU 16 Ca 0.72 -0.61 -0.31 0.00 0.01 0.00 0.00 54.13 53.94 2keq s LEU 16 Cb -0.11 -0.57 -0.09 0.00 0.01 0.00 0.00 46.19 45.43 2keq s LEU 16 CO 0.13 -0.05 1.48 -2.16 1.01 0.00 0.00 176.35 176.76 2keq s PRO 17 N -1.71 4.27 0.33 1.29 0.04 -1.26 -0.85 135.00 137.11 2keq s PRO 17 Ca -0.01 2.22 0.03 0.00 0.04 0.00 0.00 61.00 63.28 2keq s PRO 17 Cb -0.10 -3.20 0.62 0.00 0.04 0.00 0.00 34.50 31.87 2keq s PRO 17 CO 0.02 -0.51 1.93 0.97 0.04 0.00 0.00 177.00 179.45 2keq h ILE 18 N 4.10 1.04 -0.08 0.56 2.10 -1.23 -2.73 117.51 121.27 2keq h ILE 18 Ca -0.43 -0.31 -0.07 0.00 1.08 0.00 0.00 64.86 65.13 2keq h ILE 18 Cb 1.21 0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 2keq h ILE 18 CO 0.88 0.17 -0.28 1.23 -1.08 0.00 0.00 178.15 179.07 2keq h GLY 19 N 0.91 0.16 1.27 8.18 0.00 -1.79 -1.26 103.07 110.54 2keq h GLY 19 Ca 0.36 -0.12 -0.19 0.00 0.00 0.00 0.00 47.33 47.38 2keq h GLY 19 CO -0.13 0.11 -0.63 1.70 0.00 0.00 0.00 176.54 177.59 2keq h LYS 20 N 0.13 0.75 -0.66 4.80 3.64 -1.79 -0.60 116.57 122.83 2keq h LYS 20 Ca 0.02 -0.52 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 2keq h LYS 20 Cb 0.57 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2keq h LYS 20 CO 0.04 1.14 0.13 0.82 -2.27 0.00 0.00 179.45 179.31 2keq h ILE 21 N 0.55 1.26 0.22 2.00 2.04 -1.29 -1.81 117.51 120.48 2keq h ILE 21 Ca -0.01 -0.99 -0.33 0.00 1.00 0.00 0.00 64.86 64.54 2keq h ILE 21 Cb 1.23 0.61 0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2keq h ILE 21 CO 0.13 0.37 -1.49 0.58 0.00 0.00 0.00 178.15 177.74 2keq h VAL 22 N 1.01 1.26 0.00 1.67 2.07 -1.24 0.43 116.25 121.46 2keq h VAL 22 Ca 0.21 -2.74 -0.07 0.00 0.82 0.00 0.00 66.70 64.92 2keq h VAL 22 Cb 0.40 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 2keq h VAL 22 CO 0.01 0.83 -0.31 1.05 0.02 0.00 0.00 177.57 179.17 2keq h GLU 23 N 0.13 0.00 -0.10 1.57 4.11 -1.10 -3.16 114.58 116.02 2keq h GLU 23 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2keq h GLU 23 Cb 2.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.38 2keq h GLU 23 CO 0.25 0.31 0.00 1.63 0.07 0.00 0.00 179.01 181.27 2keq n LYS 24 N -3.30 1.30 -3.97 1.06 4.76 -0.68 -5.02 118.16 112.30 2keq n LYS 24 Ca 0.01 -1.49 -0.28 0.00 -2.87 0.00 0.00 58.31 53.68 2keq n LYS 24 Cb 0.56 -1.28 -0.02 0.00 -1.84 0.00 0.00 35.03 32.45 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 0.77 -2.47 -2.49 1.97 3.00 -0.25 -4.89 116.66 112.29 2keq n ARG 25 Ca 0.09 0.35 -0.43 0.00 -0.01 0.00 0.00 57.85 57.85 2keq n ARG 25 Cb 0.37 -4.21 -0.02 0.00 0.00 0.00 0.00 32.46 28.60 2keq n ARG 25 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2keq s ILE 26 N -3.92 4.37 -0.77 0.55 1.01 -0.02 -4.97 121.20 117.45 2keq s ILE 26 Ca 0.10 1.67 -0.26 0.00 0.00 0.00 0.00 60.65 62.16 2keq s ILE 26 Cb -0.04 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2keq s ILE 26 CO 0.90 -0.08 1.62 -1.61 0.00 0.00 0.00 174.94 175.78 2keq s GLU 27 N 2.86 2.96 0.30 2.79 2.02 -1.26 -4.96 118.70 123.40 2keq s GLU 27 Ca 0.53 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 55.44 2keq s GLU 27 Cb -0.22 -4.60 -0.04 0.00 0.10 0.00 0.00 34.13 29.37 2keq s GLU 27 CO 0.16 -2.57 0.14 0.00 0.02 0.00 0.00 175.26 173.02 2keq s THR 29 N -3.64 1.91 0.26 0.00 2.01 -1.26 -1.26 115.64 113.66 2keq s THR 29 Ca 0.36 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 61.39 2keq s THR 29 Cb 0.06 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 2keq s THR 29 CO 0.16 0.53 -0.09 0.68 -0.69 0.00 0.00 174.62 175.21 2keq s VAL 30 N -0.58 1.74 0.05 3.82 -7.23 -0.12 -1.15 120.40 116.94 2keq s VAL 30 Ca 0.09 -2.17 -0.04 0.00 -1.81 0.00 0.00 61.98 58.06 2keq s VAL 30 Cb -0.09 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2keq s VAL 30 CO -0.01 -0.38 0.27 -0.31 -0.31 0.00 0.00 175.10 174.36 2keq s TYR 31 N -2.96 3.53 0.08 2.82 1.51 -1.25 -1.25 117.35 119.83 2keq s TYR 31 Ca 0.28 0.46 -0.23 0.00 -1.01 0.00 0.00 57.07 56.57 2keq s TYR 31 Cb 0.02 -1.91 0.06 0.00 -0.11 0.00 0.00 41.96 40.01 2keq s TYR 31 CO 0.11 0.56 0.55 0.45 -1.11 0.00 0.00 175.55 176.11 2keq s SER 32 N -2.13 -0.48 -0.21 2.29 0.15 -0.61 -1.08 113.70 111.62 2keq s SER 32 Ca 0.33 0.14 -0.09 0.00 0.70 0.00 0.00 55.95 57.04 2keq s SER 32 Cb -0.13 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 2keq s SER 32 CO 0.22 -0.79 0.10 -0.69 1.20 0.00 0.00 173.24 173.27 2keq s VAL 33 N -2.80 4.95 1.15 4.45 1.01 -1.26 -0.92 120.40 126.98 2keq s VAL 33 Ca -0.03 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 2keq s VAL 33 Cb -0.00 -3.27 0.26 0.00 0.00 0.00 0.00 36.38 33.37 2keq s VAL 33 CO -0.05 0.41 1.10 -0.62 0.00 0.00 0.00 175.10 175.94 2keq s ASP 34 N 0.70 1.32 0.54 3.32 2.15 0.08 -4.88 116.67 119.90 2keq s ASP 34 Ca 0.05 0.82 0.24 0.00 0.43 0.00 0.00 52.55 54.10 2keq s ASP 34 Cb -0.13 -1.21 1.53 0.00 -0.30 0.00 0.00 42.92 42.81 2keq s ASP 34 CO 0.02 -3.90 2.16 0.78 -0.17 0.00 0.00 175.17 174.06 2keq h ASN 35 N -2.42 0.00 -0.03 -0.34 2.35 -2.00 -1.38 115.58 111.75 2keq h ASN 35 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2keq h ASN 35 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2keq h ASN 35 CO 0.42 0.05 0.00 0.59 -1.65 0.00 0.00 177.43 176.83 2keq n ASN 36 N -4.00 1.20 -0.14 5.81 3.02 -1.26 -4.95 115.26 114.94 2keq n ASN 36 Ca -0.03 -1.44 -0.02 0.00 -0.03 0.00 0.00 54.58 53.07 2keq n ASN 36 Cb 0.14 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.12 0.53 3.75 7.41 0.00 -0.52 -5.05 105.19 112.44 2keq n GLY 37 Ca 0.19 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.87 6.72 0.09 1.61 0.01 -1.26 -4.82 114.94 114.42 2keq s ASN 38 Ca 0.00 0.86 -0.30 0.00 -0.71 0.00 0.00 52.86 52.70 2keq s ASN 38 Cb 0.00 -2.28 -0.06 0.00 0.41 0.00 0.00 41.25 39.32 2keq s ASN 38 CO 0.00 0.10 1.19 -0.63 -1.51 0.00 0.00 177.10 176.25 2keq s ILE 39 N 0.12 3.97 0.32 0.60 1.01 -1.26 -0.74 121.20 125.21 2keq s ILE 39 Ca 0.25 1.46 0.05 0.00 0.00 0.00 0.00 60.65 62.41 2keq s ILE 39 Cb -0.16 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 2keq s ILE 39 CO 0.11 0.14 0.21 -0.72 0.00 0.00 0.00 174.94 174.68 2keq s TYR 40 N 0.82 1.64 0.03 3.97 1.13 -0.10 -4.96 117.35 119.88 2keq s TYR 40 Ca 0.57 -1.51 0.06 0.00 -1.41 0.00 0.00 57.07 54.78 2keq s TYR 40 Cb -0.30 -0.78 -0.02 0.00 -1.10 0.00 0.00 41.96 39.76 2keq s TYR 40 CO 0.30 -0.69 -0.19 0.95 -2.51 0.00 0.00 175.55 173.42 2keq s THR 41 N -3.55 1.51 -0.03 -3.49 -4.23 -1.26 -1.58 115.64 103.01 2keq s THR 41 Ca 0.37 -1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 59.80 2keq s THR 41 Cb 0.04 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.58 2keq s THR 41 CO 0.21 0.24 0.11 0.00 -0.54 0.00 0.00 174.62 174.64 2keq s GLN 42 N -0.94 0.18 0.51 3.99 -2.07 -0.38 -4.96 119.66 115.99 2keq s GLN 42 Ca 0.06 0.06 -0.20 0.00 -1.82 0.00 0.00 55.36 53.46 2keq s GLN 42 Cb -0.08 0.08 -0.07 0.00 -1.09 0.00 0.00 33.01 31.85 2keq s GLN 42 CO 0.01 -0.03 1.08 -1.25 -1.32 0.00 0.00 175.29 173.78 2keq s PRO 43 N -0.18 3.60 0.32 9.60 0.04 -1.26 -0.94 135.00 146.18 2keq s PRO 43 Ca -0.02 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 2keq s PRO 43 Cb -0.02 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 2keq s PRO 43 CO 0.00 -0.62 1.55 1.55 0.04 0.00 0.00 177.00 179.53 2keq n VAL 44 N -1.13 1.36 -0.12 -0.36 3.14 -0.39 -4.91 118.33 115.92 2keq n VAL 44 Ca 0.10 -0.34 -0.25 0.00 -2.96 0.00 0.00 64.34 60.90 2keq n VAL 44 Cb 0.52 -1.96 -0.11 0.00 -1.06 0.00 0.00 33.84 31.23 2keq n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2keq n ALA 45 N 1.54 1.22 -2.75 1.55 0.00 -0.05 -4.93 120.51 117.09 2keq n ALA 45 Ca 0.06 -1.02 -0.16 0.00 0.00 0.00 0.00 53.44 52.32 2keq n ALA 45 Cb 0.37 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 2keq n ALA 45 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2keq s GLN 46 N -2.50 1.90 -0.07 0.00 1.11 -1.06 -4.97 119.66 114.07 2keq s GLN 46 Ca -0.36 -1.84 -0.01 0.00 0.01 0.00 0.00 55.36 53.17 2keq s GLN 46 Cb 0.12 0.42 0.03 0.00 -1.01 0.00 0.00 33.01 32.56 2keq s GLN 46 CO 0.56 -0.77 -0.01 -1.58 0.01 0.00 0.00 175.29 173.50 2keq s TRP 47 N -3.10 0.73 -0.21 0.91 0.51 -1.26 -0.59 118.94 115.93 2keq s TRP 47 Ca 0.33 -0.21 -0.01 0.00 -2.12 0.00 0.00 56.10 54.09 2keq s TRP 47 Cb 0.00 -0.82 0.01 0.00 -0.81 0.00 0.00 33.47 31.85 2keq s TRP 47 CO 0.22 -0.33 -0.12 -1.01 -0.51 0.00 0.00 176.95 175.20 2keq s HIS 48 N 1.88 2.89 -0.31 -1.98 3.76 -0.28 -4.93 115.29 116.33 2keq s HIS 48 Ca 0.04 -1.36 -0.08 0.00 -0.15 0.00 0.00 55.06 53.51 2keq s HIS 48 Cb -0.12 -2.01 0.02 0.00 1.11 0.00 0.00 32.58 31.57 2keq s HIS 48 CO -0.05 -0.70 0.11 0.16 -0.85 0.00 0.00 174.74 173.41 2keq s ASP 49 N 1.37 5.29 0.09 1.40 -4.77 -1.26 -1.56 116.67 117.22 2keq s ASP 49 Ca 0.05 -0.80 0.08 0.00 -3.30 0.00 0.00 52.55 48.57 2keq s ASP 49 Cb -0.14 -1.91 -0.21 0.00 -1.09 0.00 0.00 42.92 39.57 2keq s ASP 49 CO -0.08 -0.24 1.15 0.03 0.70 0.00 0.00 175.17 176.73 2keq h ARG 50 N 8.27 0.00 0.00 2.11 2.47 -1.81 -3.49 114.38 121.93 2keq h ARG 50 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2keq h ARG 50 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2keq h ARG 50 CO 0.61 0.88 0.00 0.41 0.56 0.00 0.00 179.97 182.44 2keq n GLY 51 N 1.39 2.38 3.15 0.04 0.00 -1.24 -4.78 105.19 106.14 2keq n GLY 51 Ca -0.04 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.56 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 0.27 0.21 1.61 2.02 -1.26 -3.77 118.70 117.79 2keq s GLU 52 Ca 0.00 0.33 0.03 0.00 0.02 0.00 0.00 54.97 55.36 2keq s GLU 52 Cb 0.00 0.17 -0.05 0.00 0.10 0.00 0.00 34.13 34.35 2keq s GLU 52 CO 0.00 -0.44 -0.01 -0.65 0.02 0.00 0.00 175.26 174.18 2keq s GLN 53 N 2.92 1.25 -0.54 1.61 -0.21 -1.13 -4.91 119.66 118.65 2keq s GLN 53 Ca 0.17 -1.62 -0.26 0.00 0.02 0.00 0.00 55.36 53.67 2keq s GLN 53 Cb -0.07 -0.51 -0.05 0.00 1.00 0.00 0.00 33.01 33.38 2keq s GLN 53 CO -0.21 -0.10 2.22 -1.83 -2.12 0.00 0.00 175.29 173.26 2keq s GLU 54 N -3.87 2.26 -0.03 2.91 1.03 -1.26 -3.03 118.70 116.72 2keq s GLU 54 Ca 0.26 1.09 -0.11 0.00 0.03 0.00 0.00 54.97 56.25 2keq s GLU 54 Cb 0.06 -4.53 -0.05 0.00 -0.80 0.00 0.00 34.13 28.80 2keq s GLU 54 CO 0.07 -3.13 0.31 0.08 -1.33 0.00 0.00 175.26 171.25 2keq s VAL 55 N 11.21 5.22 -0.03 1.83 1.01 0.16 -3.53 120.40 136.27 2keq s VAL 55 Ca 0.87 0.51 0.06 0.00 0.00 0.00 0.00 61.98 63.42 2keq s VAL 55 Cb -0.15 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2keq s VAL 55 CO 0.23 0.53 -0.21 -0.36 0.00 0.00 0.00 175.10 175.30 2keq s PHE 56 N -1.13 1.93 0.26 5.22 0.40 -0.15 -1.33 117.98 123.18 2keq s PHE 56 Ca 0.23 -0.46 -0.31 0.00 -0.60 0.00 0.00 56.93 55.79 2keq s PHE 56 Cb -0.14 -1.26 -0.11 0.00 0.51 0.00 0.00 43.02 42.01 2keq s PHE 56 CO 0.11 -0.10 1.63 -2.00 0.70 0.00 0.00 175.22 175.56 2keq s GLU 57 N -0.28 4.13 -0.47 0.44 2.12 -0.12 -2.95 118.70 121.58 2keq s GLU 57 Ca 0.02 2.57 0.03 0.00 0.36 0.00 0.00 54.97 57.96 2keq s GLU 57 Cb -0.10 -3.04 0.14 0.00 0.26 0.00 0.00 34.13 31.38 2keq s GLU 57 CO 0.01 -0.66 0.26 -0.47 -0.54 0.00 0.00 175.26 173.85 2keq s TYR 58 N 0.37 2.27 0.09 5.30 5.04 0.08 -3.87 117.35 126.63 2keq s TYR 58 Ca 0.67 -2.61 -0.03 0.00 -2.44 0.00 0.00 57.07 52.65 2keq s TYR 58 Cb -0.48 -2.09 -0.05 0.00 0.35 0.00 0.00 41.96 39.69 2keq s TYR 58 CO 0.43 -0.77 0.30 0.00 -1.34 0.00 0.00 175.55 174.17 2keq s LEU 60 N -2.48 2.96 0.55 0.00 1.02 -0.57 -0.80 118.68 119.37 2keq s LEU 60 Ca 0.37 -0.95 0.33 0.00 0.02 0.00 0.00 54.13 53.90 2keq s LEU 60 Cb -0.13 -1.37 1.41 0.00 0.02 0.00 0.00 46.19 46.13 2keq s LEU 60 CO 0.25 -0.17 2.00 -0.33 0.02 0.00 0.00 176.35 178.12 2keq h GLU 61 N 1.88 0.00 0.00 1.70 5.08 -1.90 -1.09 114.58 120.25 2keq h GLU 61 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2keq h GLU 61 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2keq h GLU 61 CO 0.65 0.03 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.12 2keq h ASP 62 N 0.00 0.00 0.00 1.42 5.19 -1.96 -3.48 116.42 117.58 2keq h ASP 62 Ca -0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2keq h ASP 62 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 2keq h ASP 62 CO 0.00 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.74 2keq n GLY 63 N 1.19 0.67 3.72 2.75 0.00 -0.41 -5.10 105.19 108.02 2keq n GLY 63 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 2.85 -3.94 1.61 7.64 -1.26 -4.76 113.62 115.77 2keq n SER 64 Ca 0.00 1.12 -0.24 0.00 1.01 0.00 0.00 58.87 60.76 2keq n SER 64 Cb 0.00 -1.54 -0.17 0.00 -1.01 0.00 0.00 64.21 61.50 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 -1.94 1.35 0.06 -3.43 2.96 -1.26 -1.52 118.68 114.90 2keq s LEU 65 Ca 0.60 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 2keq s LEU 65 Cb -0.49 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 2keq s LEU 65 CO 0.58 -0.05 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.85 2keq s ILE 66 N 1.14 0.66 -0.11 6.68 1.01 -0.06 -4.97 121.20 125.54 2keq s ILE 66 Ca -0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 60.65 59.24 2keq s ILE 66 Cb -0.14 -0.92 0.04 0.00 0.01 0.00 0.00 42.46 41.45 2keq s ILE 66 CO -0.01 -0.48 0.05 -0.13 0.00 0.00 0.00 174.94 174.37 2keq s ARG 67 N -2.13 0.25 0.12 2.79 0.52 -1.26 -0.74 118.95 118.50 2keq s ARG 67 Ca -0.04 0.04 -0.06 0.00 -0.52 0.00 0.00 55.73 55.15 2keq s ARG 67 Cb -0.06 -1.29 -0.02 0.00 0.52 0.00 0.00 34.95 34.10 2keq s ARG 67 CO -0.00 -0.48 0.18 0.00 0.02 0.00 0.00 175.30 175.02 2keq s ALA 68 N 2.06 0.16 0.50 2.13 0.00 -1.15 -1.19 121.76 124.28 2keq s ALA 68 Ca 0.03 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 2keq s ALA 68 Cb -0.14 0.70 -0.08 0.00 0.00 0.00 0.00 23.12 23.59 2keq s ALA 68 CO -0.06 -0.55 0.99 0.95 0.00 0.00 0.00 175.76 177.09 2keq s THR 69 N -3.95 4.36 0.59 0.00 -4.23 -0.88 -0.97 115.64 110.56 2keq s THR 69 Ca 0.14 1.23 0.33 0.00 -1.18 0.00 0.00 61.69 62.20 2keq s THR 69 Cb 0.05 -3.63 0.37 0.00 1.34 0.00 0.00 72.50 70.63 2keq s THR 69 CO -0.04 -0.55 2.26 0.50 -0.54 0.00 0.00 174.62 176.25 2keq h LYS 70 N 1.12 0.00 0.00 3.99 3.64 -1.93 -1.79 116.57 121.60 2keq h LYS 70 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2keq h LYS 70 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2keq h LYS 70 CO 0.61 0.01 -0.20 -0.25 -2.27 0.00 0.00 179.45 177.34 2keq n ASP 71 N -3.68 0.21 -4.73 4.20 8.00 -1.26 -3.95 116.55 115.34 2keq n ASP 71 Ca -0.03 0.20 -0.41 0.00 0.71 0.00 0.00 54.79 55.26 2keq n ASP 71 Cb 0.09 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 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 -3.00 3.75 0.22 1.24 2.46 -0.68 -4.11 115.29 115.18 2keq s HIS 72 Ca 0.13 1.62 0.00 0.00 0.47 0.00 0.00 55.06 57.28 2keq s HIS 72 Cb 0.18 -2.94 -0.04 0.00 -0.13 0.00 0.00 32.58 29.65 2keq s HIS 72 CO 0.60 0.21 0.40 0.15 -2.47 0.00 0.00 174.74 173.63 2keq s LYS 73 N 0.10 3.50 0.00 2.88 1.02 -1.17 -3.18 119.74 122.89 2keq s LYS 73 Ca 0.43 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 56.03 2keq s LYS 73 Cb -0.22 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2keq s LYS 73 CO 0.26 0.38 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.93 2keq s PHE 74 N -1.94 0.67 -0.65 3.18 0.40 -0.85 -1.71 117.98 117.08 2keq s PHE 74 Ca 0.38 -0.17 -0.27 0.00 -0.60 0.00 0.00 56.93 56.27 2keq s PHE 74 Cb -0.11 -0.42 -0.00 0.00 0.51 0.00 0.00 43.02 43.00 2keq s PHE 74 CO 0.30 -0.02 1.68 1.41 0.70 0.00 0.00 175.22 179.29 2keq s MET 75 N -0.35 2.81 1.09 0.44 -2.45 -0.77 -3.76 119.30 116.31 2keq s MET 75 Ca 0.01 0.35 -0.13 0.00 -1.25 0.00 0.00 55.69 54.67 2keq s MET 75 Cb -0.04 -4.32 0.24 0.00 1.25 0.00 0.00 34.83 31.96 2keq s MET 75 CO -0.00 -2.54 1.07 0.95 1.05 0.00 0.00 175.02 175.55 2keq s THR 76 N 8.00 1.95 0.66 10.11 -4.23 -1.16 -2.04 115.64 128.93 2keq s THR 76 Ca 0.57 0.00 0.36 0.00 -1.18 0.00 0.00 61.69 61.44 2keq s THR 76 Cb -0.11 -2.35 0.36 0.00 1.34 0.00 0.00 72.50 71.74 2keq s THR 76 CO 0.19 0.00 2.11 -0.37 -0.54 0.00 0.00 174.62 176.01 2keq h VAL 77 N -2.26 0.03 -0.02 2.29 -1.51 -1.72 0.13 116.25 113.20 2keq h VAL 77 Ca -0.57 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 2keq h VAL 77 Cb 1.33 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2keq h VAL 77 CO 0.53 0.00 -0.38 0.47 -1.23 0.00 0.00 177.57 176.96 2keq n ASP 78 N -3.01 2.12 0.00 4.19 8.00 -1.26 -4.89 116.55 121.70 2keq n ASP 78 Ca -0.02 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 53.92 2keq n ASP 78 Cb 0.26 0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 1.36 0.75 3.68 0.44 0.00 0.03 -5.04 105.19 106.41 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 -0.50 4.19 -1.33 1.61 -0.21 -1.26 -4.66 119.66 117.49 2keq s GLN 80 Ca 0.00 2.29 -0.13 0.00 0.02 0.00 0.00 55.36 57.54 2keq s GLN 80 Cb 0.00 -3.77 0.11 0.00 1.00 0.00 0.00 33.01 30.34 2keq s GLN 80 CO 0.00 -0.78 1.90 -1.33 -2.12 0.00 0.00 175.29 172.96 2keq n MET 81 N 6.26 3.25 -4.12 2.91 2.81 -1.26 -2.98 117.12 124.00 2keq n MET 81 Ca 0.16 -3.22 -0.32 0.00 -1.81 0.00 0.00 57.70 52.52 2keq n MET 81 Cb 0.41 -3.16 -0.07 0.00 -0.71 0.00 0.00 33.22 29.69 2keq n MET 81 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2keq s LEU 82 N 1.64 3.74 0.54 4.03 1.43 -1.25 -4.82 118.68 124.00 2keq s LEU 82 Ca 0.45 0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.36 2keq s LEU 82 Cb 0.08 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 2keq s LEU 82 CO -0.01 0.22 1.22 -2.16 0.23 0.00 0.00 176.35 175.85 2keq s PRO 83 N -2.04 3.24 0.42 1.29 0.04 -1.26 -2.01 135.00 134.69 2keq s PRO 83 Ca 0.25 1.89 0.16 0.00 0.04 0.00 0.00 61.00 63.34 2keq s PRO 83 Cb -0.12 -2.13 1.05 0.00 0.04 0.00 0.00 34.50 33.34 2keq s PRO 83 CO 0.17 -1.00 1.89 0.97 0.04 0.00 0.00 177.00 179.07 2keq h ILE 84 N 1.29 0.75 -0.39 0.56 2.10 -1.67 0.42 117.51 120.57 2keq h ILE 84 Ca -0.50 -0.15 0.03 0.00 1.08 0.00 0.00 64.86 65.33 2keq h ILE 84 Cb 1.28 0.29 -0.02 0.00 -1.09 0.00 0.00 36.82 37.28 2keq h ILE 84 CO 0.57 0.08 0.26 -0.78 -1.08 0.00 0.00 178.15 177.20 2keq h ASP 85 N 0.43 0.35 0.49 2.19 3.58 -1.91 -1.53 116.42 120.01 2keq h ASP 85 Ca 0.41 -0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.62 2keq h ASP 85 Cb 0.96 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.93 2keq h ASP 85 CO -0.14 0.24 -1.01 -0.08 -2.88 0.00 0.00 179.24 175.36 2keq h GLU 86 N 0.40 0.32 -0.51 0.28 4.57 -1.28 -3.16 114.58 115.20 2keq h GLU 86 Ca 0.16 -0.39 -0.12 0.00 -1.18 0.00 0.00 59.36 57.83 2keq h GLU 86 Cb 0.15 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2keq h GLU 86 CO -0.04 1.10 -0.14 0.82 -1.18 0.00 0.00 179.01 179.57 2keq h ILE 87 N 0.15 1.27 -0.32 2.32 2.04 -1.11 -2.29 117.51 119.58 2keq h ILE 87 Ca -0.09 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.43 2keq h ILE 87 Cb 1.67 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 2keq h ILE 87 CO 0.17 0.45 -0.03 0.15 0.00 0.00 0.00 178.15 178.89 2keq h PHE 88 N 0.86 0.52 -0.03 1.37 3.57 -1.38 -0.35 116.94 121.50 2keq h PHE 88 Ca 0.13 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2keq h PHE 88 Cb 0.70 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2keq h PHE 88 CO 0.05 0.53 -0.23 0.93 -2.23 0.00 0.00 178.31 177.36 2keq h GLU 89 N 0.47 0.22 0.00 1.11 5.08 -1.46 -3.24 114.58 116.76 2keq h GLU 89 Ca 0.10 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2keq h GLU 89 Cb 0.35 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2keq h GLU 89 CO 0.01 0.86 0.00 0.54 -1.00 0.00 0.00 179.01 179.42 2keq n ARG 90 N -4.53 0.07 -2.93 2.33 3.00 -0.89 -4.94 116.66 108.77 2keq n ARG 90 Ca -0.09 0.07 -0.22 0.00 -0.01 0.00 0.00 57.85 57.60 2keq n ARG 90 Cb 0.46 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.45 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 -1.46 -4.18 -2.72 5.56 1.02 -0.17 -4.98 120.64 113.71 2keq n GLU 91 Ca 0.07 0.88 -0.37 0.00 -0.02 0.00 0.00 57.16 57.72 2keq n GLU 91 Cb 0.27 -5.70 -0.06 0.00 -0.02 0.00 0.00 31.44 25.94 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 -6.54 4.36 0.57 -4.62 1.43 -1.02 -4.75 118.68 108.11 2keq s LEU 92 Ca 0.25 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 55.15 2keq s LEU 92 Cb -0.11 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.09 2keq s LEU 92 CO 0.31 -0.11 0.98 -1.81 0.23 0.00 0.00 176.35 175.95 2keq s ASP 93 N -1.51 6.31 0.28 2.29 1.01 -1.26 -4.45 116.67 119.34 2keq s ASP 93 Ca 0.50 1.36 -0.08 0.00 0.71 0.00 0.00 52.55 55.04 2keq s ASP 93 Cb -0.21 -2.44 -0.06 0.00 1.01 0.00 0.00 42.92 41.22 2keq s ASP 93 CO 0.26 -0.76 0.59 -0.76 0.21 0.00 0.00 175.17 174.71 2keq s LEU 94 N -4.87 4.08 0.41 1.23 1.43 -1.25 -2.45 118.68 117.25 2keq s LEU 94 Ca 0.54 0.89 -0.24 0.00 -1.03 0.00 0.00 54.13 54.30 2keq s LEU 94 Cb -0.11 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 2keq s LEU 94 CO 0.48 -0.16 1.05 -0.32 0.23 0.00 0.00 176.35 177.63 2keq s MET 95 N -3.21 4.12 0.21 1.70 -2.45 -0.87 -4.54 119.30 114.26 2keq s MET 95 Ca 0.47 1.50 0.02 0.00 -1.25 0.00 0.00 55.69 56.43 2keq s MET 95 Cb -0.11 -2.48 -0.05 0.00 1.25 0.00 0.00 34.83 33.44 2keq s MET 95 CO 0.25 -0.18 0.02 -0.98 1.05 0.00 0.00 175.02 175.19 2keq s ARG 96 N -2.59 1.25 -0.15 4.11 3.03 -1.26 -2.83 118.95 120.50 2keq s ARG 96 Ca 0.59 -1.63 0.13 0.00 2.03 0.00 0.00 55.73 56.86 2keq s ARG 96 Cb -0.21 -0.36 -0.19 0.00 -1.03 0.00 0.00 34.95 33.16 2keq s ARG 96 CO 0.27 -0.16 0.05 1.33 -1.13 0.00 0.00 175.30 175.66 2keq n VAL 97 N -0.34 1.04 1.62 4.99 0.24 -0.48 -4.51 118.33 120.88 2keq n VAL 97 Ca -0.05 -0.64 0.15 0.00 -2.04 0.00 0.00 64.34 61.76 2keq n VAL 97 Cb 0.64 -0.60 0.74 0.00 -1.47 0.00 0.00 33.84 33.15 2keq n VAL 97 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2keq n ASP 98 N -2.56 0.37 -3.15 -1.34 2.03 -1.26 -4.91 116.55 105.73 2keq n ASP 98 Ca -0.25 -0.76 -0.23 0.00 0.52 0.00 0.00 54.79 54.07 2keq n ASP 98 Cb 0.99 -0.07 0.04 0.00 -0.72 0.00 0.00 41.12 41.36 2keq n ASP 98 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2keq n ASN 99 N -0.88 -6.03 -4.70 1.67 3.02 -1.26 -5.01 115.26 102.07 2keq n ASN 99 Ca 0.18 -0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 54.07 2keq n ASN 99 Cb 0.23 -4.85 0.13 0.00 -0.61 0.00 0.00 39.78 34.68 2keq n ASN 99 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2keq s LEU 100 N -6.79 3.04 0.38 3.41 1.43 -1.26 -4.98 118.68 113.91 2keq s LEU 100 Ca 0.36 2.23 -0.27 0.00 -1.03 0.00 0.00 54.13 55.42 2keq s LEU 100 Cb -0.16 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.39 2keq s LEU 100 CO 0.45 -2.70 1.42 -2.16 0.23 0.00 0.00 176.35 173.58 2keq s PRO 101 N -4.39 4.06 0.07 1.29 0.04 -1.26 -4.95 135.00 129.87 2keq s PRO 101 Ca 0.69 2.42 -0.31 0.00 0.04 0.00 0.00 61.00 63.84 2keq s PRO 101 Cb -0.25 -2.90 -0.08 0.00 0.04 0.00 0.00 34.50 31.31 2keq s PRO 101 CO 0.53 -0.51 1.56 -0.80 0.04 0.00 0.00 177.00 177.82 2keq s ASN 102 N -0.36 6.68 -0.06 6.66 -0.87 -1.26 -5.01 114.94 120.72 2keq s ASN 102 Ca 0.54 2.39 -0.03 0.00 -1.57 0.00 0.00 52.86 54.19 2keq s ASN 102 Cb -0.44 -2.57 0.03 0.00 -0.02 0.00 0.00 41.25 38.26 2keq s ASN 102 CO 0.58 -0.82 0.15 0.27 -2.57 0.00 0.00 177.10 174.71 2keq s ILE 103 N 2.28 -0.03 0.80 0.60 -4.36 -1.26 -5.02 121.20 114.21 2keq s ILE 103 Ca 0.70 0.13 -0.07 0.00 -0.26 0.00 0.00 60.65 61.15 2keq s ILE 103 Cb -0.38 -0.24 0.14 0.00 1.25 0.00 0.00 42.46 43.23 2keq s ILE 103 CO 0.30 0.05 1.11 -1.59 0.24 0.00 0.00 174.94 175.05 2keq s LYS 104 N 0.86 1.43 -0.28 0.37 0.00 -1.26 -3.95 119.74 116.90 2keq s LYS 104 Ca -0.07 -0.71 -0.28 0.00 0.00 0.00 0.00 55.97 54.91 2keq s LYS 104 Cb -0.08 -2.14 -0.03 0.00 0.00 0.00 0.00 37.83 35.57 2keq s LYS 104 CO -0.04 -1.73 2.01 0.42 0.00 0.00 0.00 175.35 176.01 2keq s ILE 105 N -3.41 3.24 0.15 3.79 1.01 -1.26 -3.87 121.20 120.84 2keq s ILE 105 Ca 0.68 0.25 -0.14 0.00 0.00 0.00 0.00 60.65 61.43 2keq s ILE 105 Cb -0.06 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 39.10 2keq s ILE 105 CO 0.47 -0.22 1.67 0.00 0.00 0.00 0.00 174.94 176.86 2keq h ALA 106 N 14.08 0.63 -2.50 9.38 0.00 -1.24 -3.46 119.26 136.15 2keq h ALA 106 Ca -0.37 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 2keq h ALA 106 Cb 1.20 -0.18 -0.18 0.00 0.00 0.00 0.00 17.79 18.63 2keq h ALA 106 CO 1.00 0.29 -0.18 0.95 0.00 0.00 0.00 179.25 181.31 2keq s THR 107 N -5.38 0.06 0.01 0.00 -4.23 -1.25 -5.02 115.64 99.83 2keq s THR 107 Ca -0.13 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2keq s THR 107 Cb 0.11 -0.86 -0.01 0.00 1.34 0.00 0.00 72.50 73.08 2keq s THR 107 CO 0.78 -0.28 -0.04 -0.60 -0.54 0.00 0.00 174.62 173.93 2keq s ARG 108 N -2.12 0.34 -0.05 3.99 3.52 -1.26 -3.15 118.95 120.22 2keq s ARG 108 Ca -0.08 -0.31 -0.18 0.00 -0.13 0.00 0.00 55.73 55.03 2keq s ARG 108 Cb -0.02 -0.24 0.04 0.00 -1.56 0.00 0.00 34.95 33.17 2keq s ARG 108 CO -0.00 0.06 0.41 0.15 -0.81 0.00 0.00 175.30 175.11 2keq s LYS 109 N -0.55 0.73 -0.04 5.12 1.02 -1.25 -5.00 119.74 119.78 2keq s LYS 109 Ca -0.03 0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.70 2keq s LYS 109 Cb -0.04 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 2keq s LYS 109 CO -0.00 -0.20 1.36 -0.47 -0.92 0.00 0.00 175.35 175.12 2keq s TYR 110 N -1.04 2.86 -0.17 3.18 5.04 -1.26 -0.94 117.35 125.02 2keq s TYR 110 Ca -0.11 0.88 -0.13 0.00 -2.44 0.00 0.00 57.07 55.27 2keq s TYR 110 Cb -0.04 -3.61 -0.22 0.00 0.35 0.00 0.00 41.96 38.44 2keq s TYR 110 CO 0.05 -2.21 0.23 1.28 -1.34 0.00 0.00 175.55 173.56 2keq n LEU 111 N 5.62 2.29 0.00 6.97 4.77 -0.44 -4.91 117.00 131.29 2keq n LEU 111 Ca 0.13 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2keq n LEU 111 Cb 0.44 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2keq n LEU 111 CO 0.58 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 2keq n GLY 112 N 1.73 0.00 2.56 -0.72 0.00 -1.17 -5.03 105.19 102.56 2keq n GLY 112 Ca -0.34 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 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 3.12 -1.61 1.61 4.81 -1.26 -0.66 118.16 124.16 2keq n LYS 113 Ca 0.00 -4.41 -0.32 0.00 -0.87 0.00 0.00 58.31 52.71 2keq n LYS 113 Cb 0.00 -2.14 0.05 0.00 0.02 0.00 0.00 35.03 32.97 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 -3.46 2.81 -0.03 1.64 -0.21 -1.17 -4.14 119.66 115.10 2keq s GLN 114 Ca 0.46 1.13 -0.30 0.00 0.02 0.00 0.00 55.36 56.67 2keq s GLN 114 Cb 0.39 -1.97 -0.08 0.00 1.00 0.00 0.00 33.01 32.35 2keq s GLN 114 CO -0.16 -1.21 1.95 1.21 -2.12 0.00 0.00 175.29 174.97 2keq s ASN 115 N -3.30 6.31 0.17 5.90 3.04 -1.25 -2.85 114.94 122.97 2keq s ASN 115 Ca 0.61 2.44 0.08 0.00 0.04 0.00 0.00 52.86 56.03 2keq s ASN 115 Cb -0.16 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 36.98 2keq s ASN 115 CO 0.50 -1.19 -0.17 0.68 -3.04 0.00 0.00 177.10 173.87 2keq s VAL 116 N 5.06 1.72 0.07 -5.21 -7.23 -1.26 -3.81 120.40 109.74 2keq s VAL 116 Ca 0.88 -1.95 -0.06 0.00 -1.81 0.00 0.00 61.98 59.04 2keq s VAL 116 Cb -0.39 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 2keq s VAL 116 CO 0.38 -0.40 0.11 -0.31 -0.31 0.00 0.00 175.10 174.58 2keq s TYR 117 N -2.27 0.27 -0.23 2.82 1.51 0.19 -2.11 117.35 117.52 2keq s TYR 117 Ca 0.16 -0.71 -0.12 0.00 -1.01 0.00 0.00 57.07 55.39 2keq s TYR 117 Cb -0.04 -0.17 0.07 0.00 -0.11 0.00 0.00 41.96 41.71 2keq s TYR 117 CO 0.06 -0.46 0.55 0.34 -1.11 0.00 0.00 175.55 174.93 2keq s ASP 118 N -2.74 -0.73 0.26 2.29 2.15 -0.60 -1.40 116.67 115.92 2keq s ASP 118 Ca 0.04 1.21 -0.26 0.00 0.43 0.00 0.00 52.55 53.97 2keq s ASP 118 Cb 0.05 1.17 -0.09 0.00 -0.30 0.00 0.00 42.92 43.75 2keq s ASP 118 CO -0.09 -0.22 0.89 0.27 -0.17 0.00 0.00 175.17 175.84 2keq s ILE 119 N 1.68 4.25 0.10 4.11 -4.36 -1.26 -1.12 121.20 124.59 2keq s ILE 119 Ca -0.09 1.80 -0.26 0.00 -0.26 0.00 0.00 60.65 61.84 2keq s ILE 119 Cb -0.07 -4.09 -0.06 0.00 1.25 0.00 0.00 42.46 39.48 2keq s ILE 119 CO -0.16 0.31 0.81 -0.83 0.24 0.00 0.00 174.94 175.30 2keq s GLY 120 N -1.43 2.87 -0.35 6.27 0.00 0.25 -4.92 107.32 110.01 2keq s GLY 120 Ca 0.44 0.36 0.04 0.00 0.00 0.00 0.00 44.72 45.57 2keq s GLY 120 CO 0.26 1.09 0.45 -1.34 0.00 0.00 0.00 173.10 173.56 2keq s VAL 121 N -0.41 -0.61 0.41 1.40 -7.23 -1.26 -0.87 120.40 111.82 2keq s VAL 121 Ca 0.39 -0.49 0.22 0.00 -1.81 0.00 0.00 61.98 60.30 2keq s VAL 121 Cb -0.22 -0.63 0.24 0.00 0.56 0.00 0.00 36.38 36.33 2keq s VAL 121 CO 0.25 -0.33 2.01 -0.33 -0.31 0.00 0.00 175.10 176.40 2keq h GLU 122 N 7.45 0.00 -0.46 4.82 5.08 -1.96 -3.23 114.58 126.28 2keq h GLU 122 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2keq h GLU 122 Cb 1.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2keq h GLU 122 CO 0.20 0.17 0.30 -0.09 -1.00 0.00 0.00 179.01 178.58 2keq h ARG 123 N 0.00 0.62 -1.68 2.33 9.65 -1.96 -3.44 114.38 119.89 2keq h ARG 123 Ca -0.00 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 58.89 2keq h ARG 123 Cb 0.39 -0.14 -0.25 0.00 -1.39 0.00 0.00 29.97 28.58 2keq h ARG 123 CO 0.02 0.43 0.34 0.34 2.80 0.00 0.00 179.97 183.90 2keq s ASP 124 N -5.65 -0.57 0.00 -3.80 -1.08 -1.22 -5.08 116.67 99.27 2keq s ASP 124 Ca -0.13 1.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.91 2keq s ASP 124 Cb 0.11 1.12 0.00 0.00 -1.46 0.00 0.00 42.92 42.69 2keq s ASP 124 CO 0.74 -0.17 0.25 0.00 0.52 0.00 0.00 175.17 176.51 2keq n HIS 125 N 2.99 0.00 -4.27 -5.34 1.44 -1.25 -4.78 115.22 104.00 2keq n HIS 125 Ca -0.15 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.41 2keq n HIS 125 Cb 0.57 -0.02 -0.10 0.00 0.12 0.00 0.00 29.99 30.56 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 -1.15 1.56 0.15 4.39 4.22 -1.26 -0.89 114.94 121.95 2keq s ASN 126 Ca 0.00 -1.15 -0.24 0.00 -2.14 0.00 0.00 52.86 49.33 2keq s ASN 126 Cb 0.00 0.05 0.06 0.00 1.28 0.00 0.00 41.25 42.64 2keq s ASN 126 CO 0.00 -0.49 0.78 0.72 -2.04 0.00 0.00 177.10 176.07 2keq s PHE 127 N -3.50 -0.31 0.02 1.54 -0.12 -0.93 -4.76 117.98 109.92 2keq s PHE 127 Ca 0.23 0.04 -0.13 0.00 -0.05 0.00 0.00 56.93 57.02 2keq s PHE 127 Cb 0.05 0.61 -0.06 0.00 -0.63 0.00 0.00 43.02 42.99 2keq s PHE 127 CO 0.05 -0.87 0.40 0.00 -0.05 0.00 0.00 175.22 174.75 2keq s ALA 128 N -3.53 3.71 0.62 1.99 0.00 -0.24 -1.97 121.76 122.33 2keq s ALA 128 Ca 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 2keq s ALA 128 Cb -0.02 -2.34 0.06 0.00 0.00 0.00 0.00 23.12 20.82 2keq s ALA 128 CO -0.04 0.51 0.87 -0.51 0.00 0.00 0.00 175.76 176.59 2keq s LEU 129 N -1.31 3.12 0.17 0.00 1.43 0.35 -3.63 118.68 118.82 2keq s LEU 129 Ca 0.26 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 2keq s LEU 129 Cb -0.16 -2.71 0.12 0.00 0.03 0.00 0.00 46.19 43.47 2keq s LEU 129 CO 0.14 -1.39 1.65 0.50 0.23 0.00 0.00 176.35 177.48 2keq h LYS 130 N -0.19 -0.06 0.00 1.70 3.64 -1.72 -1.76 116.57 118.19 2keq h LYS 130 Ca -0.41 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 2keq h LYS 130 Cb 1.29 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2keq h LYS 130 CO 0.51 -0.04 -0.28 -0.91 -2.27 0.00 0.00 179.45 176.46 2keq h ASN 131 N -0.06 0.00 0.00 4.20 2.35 -1.96 -3.47 115.58 116.64 2keq h ASN 131 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2keq h ASN 131 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2keq h ASN 131 CO -0.48 0.28 0.00 0.61 -1.65 0.00 0.00 177.43 176.19 2keq n GLY 132 N -0.32 1.11 3.72 2.83 0.00 -0.66 -4.66 105.19 107.21 2keq n GLY 132 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.95 2.31 -0.06 1.61 0.08 -1.26 -1.39 117.98 117.32 2keq s PHE 133 Ca 0.00 1.34 0.05 0.00 0.12 0.00 0.00 56.93 58.44 2keq s PHE 133 Cb 0.00 -3.14 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 2keq s PHE 133 CO 0.00 -2.33 -0.20 0.42 -0.10 0.00 0.00 175.22 173.02 2keq s ILE 134 N -2.90 2.54 0.14 0.64 1.09 -1.13 -0.49 121.20 121.09 2keq s ILE 134 Ca 0.63 -0.90 0.10 0.00 -1.10 0.00 0.00 60.65 59.39 2keq s ILE 134 Cb -0.18 -1.97 -0.04 0.00 -1.06 0.00 0.00 42.46 39.21 2keq s ILE 134 CO 0.57 0.57 -0.24 0.00 -0.10 0.00 0.00 174.94 175.74 2keq s ALA 135 N -0.36 2.26 -0.05 9.38 0.00 -0.83 -1.85 121.76 130.31 2keq s ALA 135 Ca 0.03 -1.47 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 2keq s ALA 135 Cb -0.12 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2keq s ALA 135 CO 0.02 0.45 0.11 0.45 0.00 0.00 0.00 175.76 176.79 2keq s SER 136 N -2.23 -0.09 0.00 0.00 0.15 -0.69 -2.18 113.70 108.65 2keq s SER 136 Ca 0.14 0.22 0.31 0.00 0.70 0.00 0.00 55.95 57.32 2keq s SER 136 Cb -0.09 0.18 1.73 0.00 -1.71 0.00 0.00 66.02 66.12 2keq s SER 136 CO 0.07 -0.08 2.13 -3.20 1.20 0.00 0.00 173.24 173.35