#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 0.09 0.27 -0.02 0.00 -1.26 -4.70 107.32 101.70 2keq s GLY 0 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 44.72 43.97 2keq s GLY 0 CO 0.00 -0.76 0.59 0.00 0.00 0.00 0.00 173.10 172.93 2keq s ALA 1 N -3.86 -0.64 0.01 3.20 0.00 -1.26 -4.70 121.76 114.50 2keq s ALA 1 Ca 0.06 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2keq s ALA 1 Cb 0.04 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 2keq s ALA 1 CO -0.10 -0.94 -0.09 -0.51 0.00 0.00 0.00 175.76 174.12 2keq s LEU 2 N -2.99 3.05 0.80 0.00 2.01 -0.50 -2.66 118.68 118.39 2keq s LEU 2 Ca 0.18 -0.20 -0.11 0.00 0.01 0.00 0.00 54.13 54.01 2keq s LEU 2 Cb -0.03 -1.76 0.07 0.00 0.01 0.00 0.00 46.19 44.48 2keq s LEU 2 CO 0.09 0.28 1.10 -0.55 1.01 0.00 0.00 176.35 178.28 2keq s SER 3 N -1.42 4.22 0.27 2.29 0.15 -0.43 -0.88 113.70 117.89 2keq s SER 3 Ca 0.17 1.90 0.00 0.00 0.70 0.00 0.00 55.95 58.72 2keq s SER 3 Cb -0.11 -2.53 0.62 0.00 -1.71 0.00 0.00 66.02 62.29 2keq s SER 3 CO 0.07 -2.23 1.69 0.22 1.20 0.00 0.00 173.24 174.19 2keq h TYR 4 N -1.23 0.49 0.00 3.44 5.03 -1.90 -0.63 116.97 122.18 2keq h TYR 4 Ca -0.44 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.92 2keq h TYR 4 Cb 1.24 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.43 2keq h TYR 4 CO 0.56 -0.06 0.00 -0.85 -1.32 0.00 0.00 178.16 176.49 2keq n GLU 5 N -5.09 0.11 -2.14 1.82 -0.00 -1.26 -3.77 120.64 110.31 2keq n GLU 5 Ca 0.19 0.54 -0.43 0.00 -0.00 0.00 0.00 57.16 57.46 2keq n GLU 5 Cb 0.57 -1.81 -0.02 0.00 -0.00 0.00 0.00 31.44 30.17 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 -3.35 3.69 -0.03 3.84 2.01 -0.24 -4.90 115.64 116.66 2keq s THR 6 Ca -0.00 0.74 -0.17 0.00 0.31 0.00 0.00 61.69 62.57 2keq s THR 6 Cb 0.06 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 2keq s THR 6 CO 0.19 -0.43 0.48 -1.61 -0.69 0.00 0.00 174.62 172.56 2keq s GLU 7 N 5.01 4.16 -0.18 4.92 2.02 -1.26 -0.98 118.70 132.38 2keq s GLU 7 Ca 0.71 0.52 -0.02 0.00 0.02 0.00 0.00 54.97 56.20 2keq s GLU 7 Cb -0.21 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 2keq s GLU 7 CO 0.31 0.46 -0.08 0.42 0.02 0.00 0.00 175.26 176.39 2keq s ILE 8 N -0.41 3.18 0.18 -1.63 -1.09 0.09 -1.29 121.20 120.23 2keq s ILE 8 Ca 0.26 -0.58 -0.32 0.00 -2.23 0.00 0.00 60.65 57.79 2keq s ILE 8 Cb -0.17 -2.40 -0.11 0.00 -1.58 0.00 0.00 42.46 38.20 2keq s ILE 8 CO 0.14 0.47 1.65 -0.22 -1.23 0.00 0.00 174.94 175.75 2keq s LEU 9 N 1.05 4.37 0.03 2.97 2.96 -1.18 -2.39 118.68 126.49 2keq s LEU 9 Ca 0.00 2.73 0.04 0.00 -0.22 0.00 0.00 54.13 56.68 2keq s LEU 9 Cb -0.15 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 2keq s LEU 9 CO -0.01 -0.90 -0.11 0.42 -1.32 0.00 0.00 176.35 174.43 2keq s THR 10 N 1.26 0.87 0.18 3.68 -4.23 -0.37 -4.40 115.64 112.62 2keq s THR 10 Ca 0.73 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 60.37 2keq s THR 10 Cb -0.46 -0.82 -0.13 0.00 1.34 0.00 0.00 72.50 72.43 2keq s THR 10 CO 0.32 -0.07 1.42 0.58 -0.54 0.00 0.00 174.62 176.33 2keq h VAL 11 N 4.58 1.47 -0.23 2.29 2.07 -1.86 -1.45 116.25 123.14 2keq h VAL 11 Ca -0.36 -2.49 -0.02 0.00 0.82 0.00 0.00 66.70 64.65 2keq h VAL 11 Cb 1.19 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 2keq h VAL 11 CO 0.44 0.73 0.05 -0.33 0.02 0.00 0.00 177.57 178.47 2keq h GLU 12 N 0.12 0.32 0.00 1.57 4.39 -1.96 -3.42 114.58 115.60 2keq h GLU 12 Ca -0.03 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2keq h GLU 12 Cb 1.42 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 2keq h GLU 12 CO 0.12 0.31 0.00 0.66 -1.16 0.00 0.00 179.01 178.95 2keq n TYR 13 N -4.40 -1.23 0.00 4.33 4.01 -1.24 -5.09 117.16 113.54 2keq n TYR 13 Ca 0.00 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 2keq n TYR 13 Cb 0.16 0.70 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 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 1.09 0.50 3.58 2.72 0.00 -0.55 -4.96 105.19 107.57 2keq n GLY 14 Ca 0.00 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 0.03 0.99 1.43 -1.26 -1.24 118.68 122.04 2keq s LEU 15 Ca 0.00 0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2keq s LEU 15 Cb 0.00 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 2keq s LEU 15 CO 0.00 -1.87 -0.09 -0.76 0.23 0.00 0.00 176.35 173.86 2keq s LEU 16 N 6.98 2.19 0.11 1.79 1.43 -1.00 -4.90 118.68 125.29 2keq s LEU 16 Ca 0.63 -0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 52.97 2keq s LEU 16 Cb -0.14 -0.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.70 2keq s LEU 16 CO 0.26 -0.10 1.57 -2.16 0.23 0.00 0.00 176.35 176.15 2keq s PRO 17 N -1.23 4.23 0.33 1.29 0.04 -1.26 -0.74 135.00 137.67 2keq s PRO 17 Ca -0.05 2.29 0.05 0.00 0.04 0.00 0.00 61.00 63.34 2keq s PRO 17 Cb -0.08 -3.35 0.70 0.00 0.04 0.00 0.00 34.50 31.81 2keq s PRO 17 CO 0.01 -0.63 1.89 0.97 0.04 0.00 0.00 177.00 179.28 2keq h ILE 18 N 4.38 0.94 -0.38 0.56 2.10 -1.15 -2.59 117.51 121.37 2keq h ILE 18 Ca -0.42 -0.28 -0.06 0.00 1.08 0.00 0.00 64.86 65.18 2keq h ILE 18 Cb 1.20 0.04 -0.02 0.00 -1.09 0.00 0.00 36.82 36.95 2keq h ILE 18 CO 0.91 0.15 -0.00 1.23 -1.08 0.00 0.00 178.15 179.36 2keq h GLY 19 N 0.83 0.65 1.71 8.18 0.00 -1.82 -1.13 103.07 111.49 2keq h GLY 19 Ca 0.42 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 2keq h GLY 19 CO -0.18 0.37 -0.56 1.70 0.00 0.00 0.00 176.54 177.87 2keq h LYS 20 N 0.57 0.30 -0.44 4.80 3.64 -1.77 0.13 116.57 123.81 2keq h LYS 20 Ca 0.12 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 2keq h LYS 20 Cb 0.37 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2keq h LYS 20 CO 0.01 0.78 -0.10 0.82 -2.27 0.00 0.00 179.45 178.69 2keq h ILE 21 N 0.23 1.27 0.08 2.00 2.04 -1.24 -2.47 117.51 119.42 2keq h ILE 21 Ca 0.00 -1.21 -0.21 0.00 1.00 0.00 0.00 64.86 64.43 2keq h ILE 21 Cb 1.06 1.14 0.02 0.00 -0.74 0.00 0.00 36.82 38.30 2keq h ILE 21 CO 0.09 0.41 -0.89 0.58 0.00 0.00 0.00 178.15 178.35 2keq h VAL 22 N 0.69 1.40 0.00 1.67 2.07 -1.15 0.41 116.25 121.34 2keq h VAL 22 Ca 0.11 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.24 2keq h VAL 22 Cb 0.64 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 2keq h VAL 22 CO 0.04 0.69 -0.27 -0.33 0.02 0.00 0.00 177.57 177.72 2keq h GLU 23 N -0.04 0.00 -0.11 1.57 4.39 -1.03 -3.04 114.58 116.32 2keq h GLU 23 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2keq h GLU 23 Cb 1.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 2keq h GLU 23 CO 0.17 0.27 0.00 1.63 -1.16 0.00 0.00 179.01 179.92 2keq n LYS 24 N -4.08 1.23 -3.94 2.33 4.76 -0.93 -5.02 118.16 112.51 2keq n LYS 24 Ca -0.02 -1.35 -0.26 0.00 -2.87 0.00 0.00 58.31 53.81 2keq n LYS 24 Cb 0.33 -1.17 -0.02 0.00 -1.84 0.00 0.00 35.03 32.33 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 0.38 -3.18 -2.09 1.97 1.74 -0.13 -4.87 116.66 110.47 2keq n ARG 25 Ca 0.06 0.40 -0.43 0.00 -0.77 0.00 0.00 57.85 57.12 2keq n ARG 25 Cb 0.27 -4.49 -0.03 0.00 -1.02 0.00 0.00 32.46 27.20 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 -3.94 3.70 -0.73 0.55 1.01 -0.05 -4.94 121.20 116.80 2keq s ILE 26 Ca 0.03 0.83 -0.26 0.00 0.00 0.00 0.00 60.65 61.24 2keq s ILE 26 Cb -0.01 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.85 2keq s ILE 26 CO 0.89 -0.15 1.64 -1.61 0.00 0.00 0.00 174.94 175.70 2keq s GLU 27 N 4.24 2.90 0.14 2.79 2.02 -1.26 -4.95 118.70 124.58 2keq s GLU 27 Ca 0.71 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.74 2keq s GLU 27 Cb -0.29 -4.49 -0.04 0.00 0.10 0.00 0.00 34.13 29.41 2keq s GLU 27 CO 0.28 -2.57 0.03 0.00 0.02 0.00 0.00 175.26 173.02 2keq s THR 29 N -3.90 5.11 0.36 0.00 2.01 -1.26 -0.77 115.64 117.19 2keq s THR 29 Ca 0.24 -0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.12 2keq s THR 29 Cb 0.07 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2keq s THR 29 CO 0.02 -0.27 0.22 0.68 -0.69 0.00 0.00 174.62 174.58 2keq s VAL 30 N -2.00 0.21 -0.05 3.82 -7.23 0.38 -3.07 120.40 112.46 2keq s VAL 30 Ca 0.41 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 2keq s VAL 30 Cb -0.11 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.40 2keq s VAL 30 CO 0.30 0.00 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.61 2keq s TYR 31 N -3.37 1.70 0.04 2.82 1.51 -1.26 -2.21 117.35 116.58 2keq s TYR 31 Ca 0.34 -0.51 -0.27 0.00 -1.01 0.00 0.00 57.07 55.62 2keq s TYR 31 Cb 0.02 -1.15 0.08 0.00 -0.11 0.00 0.00 41.96 40.80 2keq s TYR 31 CO 0.22 -0.18 0.68 0.45 -1.11 0.00 0.00 175.55 175.61 2keq s SER 32 N 0.11 -0.57 0.38 2.29 0.15 -0.72 -1.40 113.70 113.93 2keq s SER 32 Ca -0.05 0.31 -0.24 0.00 0.70 0.00 0.00 55.95 56.67 2keq s SER 32 Cb -0.12 0.54 -0.10 0.00 -1.71 0.00 0.00 66.02 64.63 2keq s SER 32 CO 0.02 -0.76 0.96 0.68 1.20 0.00 0.00 173.24 175.35 2keq s VAL 33 N -2.52 4.22 0.82 4.45 -7.23 -1.26 -0.41 120.40 118.48 2keq s VAL 33 Ca -0.04 1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 61.65 2keq s VAL 33 Cb -0.01 -3.80 0.18 0.00 0.56 0.00 0.00 36.38 33.32 2keq s VAL 33 CO -0.03 -0.06 1.12 -0.90 -0.31 0.00 0.00 175.10 174.92 2keq n ASP 34 N -0.01 0.39 -0.04 4.85 5.68 -0.50 -4.87 116.55 122.05 2keq n ASP 34 Ca 0.04 -1.59 0.17 0.00 -0.50 0.00 0.00 54.79 52.91 2keq n ASP 34 Cb 0.52 -0.83 0.61 0.00 -1.14 0.00 0.00 41.12 40.28 2keq n ASP 34 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 2keq h ASN 35 N -1.30 0.15 0.75 -1.12 -0.73 -1.99 -1.95 115.58 109.39 2keq h ASN 35 Ca -0.36 0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.81 2keq h ASN 35 Cb 1.08 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.64 2keq h ASN 35 CO 0.29 0.08 -0.26 0.59 -0.37 0.00 0.00 177.43 177.76 2keq n ASN 36 N -4.42 0.27 0.00 1.15 3.02 -1.26 -4.95 115.26 109.06 2keq n ASN 36 Ca 0.10 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2keq n ASN 36 Cb 0.52 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.50 0.92 3.59 7.41 0.00 -0.73 -5.09 105.19 112.78 2keq n GLY 37 Ca 0.06 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.28 5.80 -0.26 1.61 0.01 -1.26 -4.79 114.94 113.77 2keq s ASN 38 Ca 0.00 0.00 -0.29 0.00 -0.71 0.00 0.00 52.86 51.87 2keq s ASN 38 Cb 0.00 -2.05 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 2keq s ASN 38 CO 0.00 0.03 1.64 -0.63 -1.51 0.00 0.00 177.10 176.63 2keq s ILE 39 N 1.27 3.66 0.50 0.60 1.01 -1.26 -1.41 121.20 125.58 2keq s ILE 39 Ca 0.06 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.47 2keq s ILE 39 Cb -0.14 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 2keq s ILE 39 CO 0.06 -0.35 0.12 -0.72 0.00 0.00 0.00 174.94 174.04 2keq s TYR 40 N 5.57 1.91 0.01 3.97 1.13 0.46 -4.92 117.35 125.48 2keq s TYR 40 Ca 0.72 -0.88 0.07 0.00 -1.41 0.00 0.00 57.07 55.58 2keq s TYR 40 Cb -0.24 -1.73 -0.02 0.00 -1.10 0.00 0.00 41.96 38.87 2keq s TYR 40 CO 0.30 0.06 -0.21 0.95 -2.51 0.00 0.00 175.55 174.14 2keq s THR 41 N -2.82 1.67 0.01 -3.49 -4.23 -1.26 -1.75 115.64 103.77 2keq s THR 41 Ca 0.18 -1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 59.43 2keq s THR 41 Cb 0.01 -1.42 0.04 0.00 1.34 0.00 0.00 72.50 72.48 2keq s THR 41 CO 0.10 0.34 0.46 0.00 -0.54 0.00 0.00 174.62 174.98 2keq s GLN 42 N -0.84 0.92 0.62 3.99 -2.07 -0.94 -4.97 119.66 116.36 2keq s GLN 42 Ca 0.08 -0.18 -0.16 0.00 -1.82 0.00 0.00 55.36 53.28 2keq s GLN 42 Cb -0.08 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.23 2keq s GLN 42 CO 0.01 -0.30 1.11 -1.25 -1.32 0.00 0.00 175.29 173.53 2keq s PRO 43 N -1.97 3.02 0.40 9.60 0.04 -1.26 -0.47 135.00 144.35 2keq s PRO 43 Ca -0.08 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 2keq s PRO 43 Cb -0.02 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 2keq s PRO 43 CO 0.02 -1.09 1.46 0.54 0.04 0.00 0.00 177.00 177.97 2keq s VAL 44 N -2.18 2.08 -0.19 -0.36 0.11 0.05 -4.77 120.40 115.14 2keq s VAL 44 Ca 0.68 0.08 -0.19 0.00 -2.93 0.00 0.00 61.98 59.63 2keq s VAL 44 Cb -0.21 -3.05 -0.16 0.00 -1.53 0.00 0.00 36.38 31.43 2keq s VAL 44 CO 0.37 0.02 0.16 0.00 -3.33 0.00 0.00 175.10 172.31 2keq h ALA 45 N 2.82 0.18 -2.94 1.54 0.00 -1.32 -3.47 119.26 116.08 2keq h ALA 45 Ca -0.51 -0.98 -0.20 0.00 0.00 0.00 0.00 54.91 53.22 2keq h ALA 45 Cb 1.25 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 2keq h ALA 45 CO 0.63 0.60 -0.08 -0.65 0.00 0.00 0.00 179.25 179.75 2keq s GLN 46 N -2.30 1.96 -0.01 0.00 -1.52 -0.99 -4.97 119.66 111.82 2keq s GLN 46 Ca -0.24 -1.65 0.01 0.00 -1.95 0.00 0.00 55.36 51.53 2keq s GLN 46 Cb 0.04 0.49 0.00 0.00 -0.22 0.00 0.00 33.01 33.32 2keq s GLN 46 CO 0.50 -0.84 -0.05 -1.58 -0.25 0.00 0.00 175.29 173.07 2keq s TRP 47 N -2.96 0.52 -0.04 0.91 0.51 -1.26 -0.83 118.94 115.78 2keq s TRP 47 Ca 0.26 -0.10 0.01 0.00 -2.12 0.00 0.00 56.10 54.16 2keq s TRP 47 Cb -0.01 -0.38 0.02 0.00 -0.81 0.00 0.00 33.47 32.28 2keq s TRP 47 CO 0.17 -0.05 -0.06 -1.01 -0.51 0.00 0.00 176.95 175.50 2keq s HIS 48 N 0.15 0.77 -0.05 -1.98 3.76 -0.36 -4.93 115.29 112.66 2keq s HIS 48 Ca -0.01 -0.21 0.02 0.00 -0.15 0.00 0.00 55.06 54.71 2keq s HIS 48 Cb -0.05 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 2keq s HIS 48 CO -0.00 -0.16 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.13 2keq s ASP 49 N 0.67 4.45 -0.16 1.40 1.11 -1.26 -1.64 116.67 121.24 2keq s ASP 49 Ca -0.09 -0.10 0.05 0.00 0.18 0.00 0.00 52.55 52.59 2keq s ASP 49 Cb -0.12 -1.05 -0.13 0.00 1.07 0.00 0.00 42.92 42.69 2keq s ASP 49 CO 0.00 0.34 -0.08 0.54 1.18 0.00 0.00 175.17 177.16 2keq n ARG 50 N 2.12 0.94 0.00 8.23 5.12 -1.02 -5.01 116.66 127.04 2keq n ARG 50 Ca -0.17 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2keq n ARG 50 Cb 0.53 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 2keq n ARG 50 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2keq n GLY 51 N 2.50 2.53 3.15 -0.13 0.00 -1.24 -4.82 105.19 107.17 2keq n GLY 51 Ca -0.27 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 0.29 0.13 1.61 2.02 -1.26 -3.71 118.70 117.78 2keq s GLU 52 Ca 0.00 0.39 0.04 0.00 0.02 0.00 0.00 54.97 55.42 2keq s GLU 52 Cb 0.00 0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.39 2keq s GLU 52 CO 0.00 -0.43 -0.10 -0.65 0.02 0.00 0.00 175.26 174.10 2keq s GLN 53 N 2.92 0.98 -0.58 1.61 -0.21 -1.11 -4.88 119.66 118.39 2keq s GLN 53 Ca 0.14 -1.36 -0.26 0.00 0.02 0.00 0.00 55.36 53.89 2keq s GLN 53 Cb -0.08 -0.54 -0.10 0.00 1.00 0.00 0.00 33.01 33.29 2keq s GLN 53 CO -0.19 0.06 2.44 -0.85 -2.12 0.00 0.00 175.29 174.63 2keq n GLU 54 N 0.01 0.87 -3.50 2.91 0.00 -1.26 -3.05 120.64 116.62 2keq n GLU 54 Ca -0.12 -0.12 -0.36 0.00 0.00 0.00 0.00 57.16 56.56 2keq n GLU 54 Cb 0.60 -3.28 -0.06 0.00 0.00 0.00 0.00 31.44 28.70 2keq n GLU 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2keq s VAL 55 N 12.16 5.02 -0.03 3.84 0.11 0.47 -4.00 120.40 137.96 2keq s VAL 55 Ca 1.01 0.70 0.04 0.00 -2.93 0.00 0.00 61.98 60.80 2keq s VAL 55 Cb -0.27 -3.70 -0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2keq s VAL 55 CO 0.26 0.41 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.94 2keq s PHE 56 N -1.27 1.45 0.27 1.54 0.40 -0.31 -1.56 117.98 118.50 2keq s PHE 56 Ca 0.30 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 2keq s PHE 56 Cb -0.15 -0.98 -0.11 0.00 0.51 0.00 0.00 43.02 42.28 2keq s PHE 56 CO 0.16 -0.13 1.59 -2.00 0.70 0.00 0.00 175.22 175.55 2keq s GLU 57 N 0.04 4.14 -0.37 0.44 2.12 -0.17 -3.27 118.70 121.64 2keq s GLU 57 Ca -0.02 2.54 0.02 0.00 0.36 0.00 0.00 54.97 57.86 2keq s GLU 57 Cb -0.10 -3.05 0.11 0.00 0.26 0.00 0.00 34.13 31.36 2keq s GLU 57 CO 0.01 -0.62 0.13 -0.47 -0.54 0.00 0.00 175.26 173.77 2keq s TYR 58 N 0.20 2.51 -0.00 5.30 5.04 -0.11 -3.87 117.35 126.42 2keq s TYR 58 Ca 0.65 -2.39 0.01 0.00 -2.44 0.00 0.00 57.07 52.89 2keq s TYR 58 Cb -0.47 -2.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.59 2keq s TYR 58 CO 0.45 -0.87 0.04 0.00 -1.34 0.00 0.00 175.55 173.83 2keq s LEU 60 N -1.66 3.50 0.55 0.00 1.02 -0.46 -0.66 118.68 120.98 2keq s LEU 60 Ca 0.21 -0.56 0.33 0.00 0.02 0.00 0.00 54.13 54.13 2keq s LEU 60 Cb -0.12 -2.07 1.48 0.00 0.02 0.00 0.00 46.19 45.50 2keq s LEU 60 CO 0.12 -0.31 2.04 -0.33 0.02 0.00 0.00 176.35 177.89 2keq h GLU 61 N 1.37 0.00 0.00 1.70 4.39 -1.90 -2.01 114.58 118.13 2keq h GLU 61 Ca -0.45 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.18 2keq h GLU 61 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2keq h GLU 61 CO 0.60 0.06 -0.35 0.22 -1.16 0.00 0.00 179.01 178.38 2keq h ASP 62 N 0.00 0.00 0.00 1.42 3.58 -1.96 -3.48 116.42 115.98 2keq h ASP 62 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2keq h ASP 62 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2keq h ASP 62 CO 0.01 0.33 0.00 0.61 -2.88 0.00 0.00 179.24 177.30 2keq n GLY 63 N 1.18 0.97 3.72 -0.78 0.00 -0.76 -5.12 105.19 104.42 2keq n GLY 63 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 3.12 -4.01 1.61 7.64 -1.26 -4.76 113.62 115.96 2keq n SER 64 Ca 0.00 1.20 -0.27 0.00 1.01 0.00 0.00 58.87 60.82 2keq n SER 64 Cb 0.00 -1.52 -0.17 0.00 -1.01 0.00 0.00 64.21 61.51 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 -1.16 1.57 0.04 -3.43 1.98 -1.26 -1.35 118.68 115.07 2keq s LEU 65 Ca 0.57 -0.35 0.02 0.00 -2.89 0.00 0.00 54.13 51.47 2keq s LEU 65 Cb -0.55 -0.93 -0.03 0.00 0.66 0.00 0.00 46.19 45.35 2keq s LEU 65 CO 0.61 -0.01 -0.07 -0.63 -1.89 0.00 0.00 176.35 174.35 2keq s ILE 66 N 1.04 0.53 -0.17 6.68 1.01 0.08 -5.02 121.20 125.35 2keq s ILE 66 Ca -0.07 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.43 2keq s ILE 66 Cb -0.15 -0.66 0.05 0.00 0.01 0.00 0.00 42.46 41.71 2keq s ILE 66 CO -0.01 -0.42 0.04 -0.13 0.00 0.00 0.00 174.94 174.41 2keq s ARG 67 N -1.73 0.58 0.19 2.79 0.52 -1.26 -0.94 118.95 119.10 2keq s ARG 67 Ca -0.09 -0.28 -0.06 0.00 -0.52 0.00 0.00 55.73 54.79 2keq s ARG 67 Cb -0.09 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 2keq s ARG 67 CO -0.00 -0.58 0.23 0.00 0.02 0.00 0.00 175.30 174.97 2keq s ALA 68 N 1.91 0.53 0.57 2.13 0.00 -1.20 -1.32 121.76 124.37 2keq s ALA 68 Ca 0.01 -1.29 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 2keq s ALA 68 Cb -0.16 1.11 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 2keq s ALA 68 CO -0.08 -0.65 0.91 0.95 0.00 0.00 0.00 175.76 176.89 2keq s THR 69 N -4.06 4.39 -1.17 0.00 -4.23 -1.09 -1.17 115.64 108.31 2keq s THR 69 Ca 0.28 0.34 0.12 0.00 -1.18 0.00 0.00 61.69 61.24 2keq s THR 69 Cb 0.04 -3.72 0.14 0.00 1.34 0.00 0.00 72.50 70.31 2keq s THR 69 CO 0.07 -0.80 1.34 0.29 -0.54 0.00 0.00 174.62 174.98 2keq n LYS 70 N -2.54 0.07 -0.00 3.99 5.02 -1.26 -2.77 118.16 120.67 2keq n LYS 70 Ca 0.04 0.25 0.10 0.00 -2.02 0.00 0.00 58.31 56.68 2keq n LYS 70 Cb 0.56 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.93 2keq n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2keq n ASP 71 N -1.41 0.71 -4.72 4.39 8.00 -1.26 -4.15 116.55 118.11 2keq n ASP 71 Ca 0.04 -0.70 -0.42 0.00 0.71 0.00 0.00 54.79 54.43 2keq n ASP 71 Cb 0.12 1.29 -0.03 0.00 -0.02 0.00 0.00 41.12 42.48 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 -3.13 3.62 0.54 1.24 2.46 -1.12 -4.06 115.29 114.86 2keq s HIS 72 Ca 0.03 1.60 -0.04 0.00 0.47 0.00 0.00 55.06 57.12 2keq s HIS 72 Cb 0.15 -3.21 0.00 0.00 -0.13 0.00 0.00 32.58 29.39 2keq s HIS 72 CO 0.87 -0.40 0.83 0.15 -2.47 0.00 0.00 174.74 173.72 2keq s LYS 73 N 0.60 3.00 -0.01 2.88 3.01 -0.75 -3.10 119.74 125.36 2keq s LYS 73 Ca 0.52 -0.14 0.01 0.00 -1.01 0.00 0.00 55.97 55.35 2keq s LYS 73 Cb -0.25 -2.36 0.01 0.00 -1.01 0.00 0.00 37.83 34.22 2keq s LYS 73 CO 0.30 -0.55 -0.01 -0.06 0.51 0.00 0.00 175.35 175.54 2keq s PHE 74 N -2.85 0.21 -0.61 3.18 0.40 -0.42 -1.03 117.98 116.85 2keq s PHE 74 Ca 0.52 -0.00 -0.27 0.00 -0.60 0.00 0.00 56.93 56.57 2keq s PHE 74 Cb -0.10 -0.23 0.00 0.00 0.51 0.00 0.00 43.02 43.20 2keq s PHE 74 CO 0.43 -0.06 1.58 1.41 0.70 0.00 0.00 175.22 179.29 2keq s MET 75 N 0.44 3.00 1.20 0.44 1.75 0.21 -2.96 119.30 123.38 2keq s MET 75 Ca -0.04 0.39 -0.16 0.00 -1.25 0.00 0.00 55.69 54.63 2keq s MET 75 Cb -0.07 -4.25 0.29 0.00 2.84 0.00 0.00 34.83 33.64 2keq s MET 75 CO -0.01 -2.31 1.03 0.95 -0.65 0.00 0.00 175.02 174.03 2keq s THR 76 N 7.24 1.78 0.55 10.11 -4.23 -0.48 -2.79 115.64 127.83 2keq s THR 76 Ca 0.55 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.32 2keq s THR 76 Cb -0.11 -2.21 0.39 0.00 1.34 0.00 0.00 72.50 71.90 2keq s THR 76 CO 0.21 0.00 2.00 -0.37 -0.54 0.00 0.00 174.62 175.92 2keq h VAL 77 N -2.67 0.66 0.00 2.29 -1.51 -1.55 -0.10 116.25 113.37 2keq h VAL 77 Ca -0.55 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 2keq h VAL 77 Cb 1.33 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2keq h VAL 77 CO 0.46 0.00 -0.17 0.47 -1.23 0.00 0.00 177.57 177.10 2keq n ASP 78 N -4.22 0.18 0.00 4.19 8.00 -1.26 -4.91 116.55 118.53 2keq n ASP 78 Ca 0.08 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2keq n ASP 78 Cb 0.57 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 1.50 0.76 3.71 0.44 0.00 -0.05 -5.05 105.19 106.50 2keq n GLY 79 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.49 4.29 -0.91 1.61 -1.52 -1.26 -4.66 119.66 116.72 2keq s GLN 80 Ca 0.00 2.11 -0.15 0.00 -1.95 0.00 0.00 55.36 55.37 2keq s GLN 80 Cb 0.00 -3.30 0.20 0.00 -0.22 0.00 0.00 33.01 29.68 2keq s GLN 80 CO 0.00 -0.49 0.95 0.00 -0.25 0.00 0.00 175.29 175.50 2keq s MET 81 N 1.38 3.70 0.07 2.91 0.23 -1.26 -1.38 119.30 124.95 2keq s MET 81 Ca 0.66 -2.34 0.07 0.00 -1.03 0.00 0.00 55.69 53.05 2keq s MET 81 Cb -0.37 -4.63 -0.04 0.00 -1.53 0.00 0.00 34.83 28.27 2keq s MET 81 CO 0.30 -1.46 -0.16 -0.51 -2.03 0.00 0.00 175.02 171.16 2keq s LEU 82 N 0.85 2.73 0.53 0.18 1.43 -1.16 -4.78 118.68 118.46 2keq s LEU 82 Ca 0.25 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.70 2keq s LEU 82 Cb -0.08 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 2keq s LEU 82 CO -0.09 0.22 1.26 -2.16 0.23 0.00 0.00 176.35 175.82 2keq s PRO 83 N -1.75 3.31 0.57 1.29 0.04 -1.26 -1.31 135.00 135.89 2keq s PRO 83 Ca 0.17 1.99 0.27 0.00 0.04 0.00 0.00 61.00 63.46 2keq s PRO 83 Cb -0.11 -2.23 1.62 0.00 0.04 0.00 0.00 34.50 33.82 2keq s PRO 83 CO 0.08 -0.98 2.15 0.97 0.04 0.00 0.00 177.00 179.25 2keq h ILE 84 N 1.46 0.60 -0.87 0.56 2.10 -1.70 0.60 117.51 120.25 2keq h ILE 84 Ca -0.50 0.00 0.09 0.00 1.08 0.00 0.00 64.86 65.53 2keq h ILE 84 Cb 1.28 0.91 -0.06 0.00 -1.09 0.00 0.00 36.82 37.86 2keq h ILE 84 CO 0.58 0.00 0.57 -0.78 -1.08 0.00 0.00 178.15 177.43 2keq h ASP 85 N 0.00 0.79 0.28 2.19 3.58 -1.90 -2.19 116.42 119.16 2keq h ASP 85 Ca 0.06 0.02 -0.34 0.00 0.42 0.00 0.00 57.03 57.19 2keq h ASP 85 Cb 0.30 -0.14 0.04 0.00 1.72 0.00 0.00 39.33 41.24 2keq h ASP 85 CO -0.00 0.47 -1.50 -0.08 -2.88 0.00 0.00 179.24 175.25 2keq h GLU 86 N 0.87 0.52 -0.63 0.28 4.57 -1.25 -3.33 114.58 115.61 2keq h GLU 86 Ca 0.40 -0.89 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2keq h GLU 86 Cb 0.39 0.33 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 2keq h GLU 86 CO -0.17 1.42 0.36 0.82 -1.18 0.00 0.00 179.01 180.26 2keq h ILE 87 N 0.14 1.19 -0.35 2.32 2.04 -1.05 0.17 117.51 121.97 2keq h ILE 87 Ca -0.26 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 2keq h ILE 87 Cb 2.16 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2keq h ILE 87 CO 0.27 0.20 -0.15 0.15 0.00 0.00 0.00 178.15 178.62 2keq h PHE 88 N 0.87 0.69 0.17 1.37 3.57 -1.55 -0.70 116.94 121.36 2keq h PHE 88 Ca 0.23 -0.13 -0.31 0.00 3.53 0.00 0.00 57.97 61.29 2keq h PHE 88 Cb 0.01 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 38.58 2keq h PHE 88 CO 0.00 0.75 -1.42 0.93 -2.23 0.00 0.00 178.31 176.35 2keq h GLU 89 N 0.57 0.35 0.00 1.11 5.08 -1.45 -3.28 114.58 116.96 2keq h GLU 89 Ca 0.10 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2keq h GLU 89 Cb 0.59 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2keq h GLU 89 CO 0.04 1.27 0.00 0.00 -1.00 0.00 0.00 179.01 179.32 2keq h ARG 90 N 0.10 0.00 -5.56 2.33 2.47 -1.02 -3.48 114.38 109.22 2keq h ARG 90 Ca -0.21 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.09 2keq h ARG 90 Cb 2.05 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 30.38 2keq h ARG 90 CO 0.21 0.00 -0.66 0.39 0.56 0.00 0.00 179.97 180.47 2keq n GLU 91 N -2.77 -5.39 -2.95 0.04 1.02 -0.29 -4.99 120.64 105.31 2keq n GLU 91 Ca 0.03 0.70 -0.35 0.00 -0.02 0.00 0.00 57.16 57.52 2keq n GLU 91 Cb 0.40 -5.58 -0.06 0.00 -0.02 0.00 0.00 31.44 26.18 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 -6.97 4.19 0.44 -4.62 1.43 -1.09 -4.76 118.68 107.30 2keq s LEU 92 Ca 0.50 1.58 -0.06 0.00 -1.03 0.00 0.00 54.13 55.13 2keq s LEU 92 Cb -0.24 -4.03 -0.04 0.00 0.03 0.00 0.00 46.19 41.90 2keq s LEU 92 CO 0.62 -0.14 0.74 -1.81 0.23 0.00 0.00 176.35 176.00 2keq s ASP 93 N -1.89 6.32 0.06 2.29 1.01 -1.26 -4.21 116.67 119.00 2keq s ASP 93 Ca 0.52 0.90 0.01 0.00 0.71 0.00 0.00 52.55 54.69 2keq s ASP 93 Cb -0.14 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 2keq s ASP 93 CO 0.19 -0.49 0.13 -0.76 0.21 0.00 0.00 175.17 174.45 2keq s LEU 94 N -4.45 4.04 0.60 1.23 1.43 -1.26 -1.61 118.68 118.66 2keq s LEU 94 Ca 0.47 0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 53.53 2keq s LEU 94 Cb -0.10 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 2keq s LEU 94 CO 0.41 0.19 1.10 -0.32 0.23 0.00 0.00 176.35 177.95 2keq s MET 95 N -2.35 3.11 0.07 1.70 -2.45 -1.12 -4.52 119.30 113.74 2keq s MET 95 Ca 0.31 1.41 -0.02 0.00 -1.25 0.00 0.00 55.69 56.14 2keq s MET 95 Cb -0.12 -1.99 -0.03 0.00 1.25 0.00 0.00 34.83 33.93 2keq s MET 95 CO 0.23 -1.01 0.02 1.03 1.05 0.00 0.00 175.02 176.35 2keq s ARG 96 N -3.82 0.69 -0.13 4.11 0.52 -1.26 -3.60 118.95 115.46 2keq s ARG 96 Ca 0.68 -1.20 0.18 0.00 -0.52 0.00 0.00 55.73 54.87 2keq s ARG 96 Cb -0.20 0.24 -0.27 0.00 0.52 0.00 0.00 34.95 35.24 2keq s ARG 96 CO 0.35 -0.15 0.21 1.55 0.02 0.00 0.00 175.30 177.28 2keq n VAL 97 N 0.06 0.82 1.77 3.52 3.14 -1.19 -4.46 118.33 121.98 2keq n VAL 97 Ca -0.13 -0.68 0.07 0.00 -2.96 0.00 0.00 64.34 60.63 2keq n VAL 97 Cb 0.62 -0.29 0.40 0.00 -1.06 0.00 0.00 33.84 33.50 2keq n VAL 97 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2keq n ASP 98 N -2.52 0.00 -2.16 6.55 9.92 -1.26 -4.85 116.55 122.23 2keq n ASP 98 Ca -0.21 -1.35 -0.18 0.00 -0.53 0.00 0.00 54.79 52.52 2keq n ASP 98 Cb 0.90 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.35 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 -0.74 -5.16 -4.78 -2.24 3.02 -1.26 -5.00 115.26 99.11 2keq n ASN 99 Ca 0.10 0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.49 2keq n ASN 99 Cb 0.05 -4.39 0.04 0.00 -0.61 0.00 0.00 39.78 34.86 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 -5.48 3.38 0.53 3.41 1.43 -1.26 -5.02 118.68 115.66 2keq s LEU 100 Ca 0.00 1.93 -0.21 0.00 -1.03 0.00 0.00 54.13 54.82 2keq s LEU 100 Cb 0.00 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 2keq s LEU 100 CO 0.00 -1.55 1.23 -2.16 0.23 0.00 0.00 176.35 174.10 2keq s PRO 101 N -4.19 3.35 -0.18 1.29 0.04 -1.26 -4.82 135.00 129.23 2keq s PRO 101 Ca 0.65 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 63.41 2keq s PRO 101 Cb -0.19 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 2keq s PRO 101 CO 0.42 -0.92 0.50 -0.80 0.04 0.00 0.00 177.00 176.23 2keq s ASN 102 N -1.35 6.58 -0.04 6.66 -0.87 -1.26 -5.02 114.94 119.65 2keq s ASN 102 Ca 0.70 0.69 -0.04 0.00 -1.57 0.00 0.00 52.86 52.65 2keq s ASN 102 Cb -0.32 -2.29 0.01 0.00 -0.02 0.00 0.00 41.25 38.64 2keq s ASN 102 CO 0.37 -0.13 0.11 0.27 -2.57 0.00 0.00 177.10 175.15 2keq s ILE 103 N 1.35 -0.00 0.93 0.60 -4.36 -1.26 -4.90 121.20 113.56 2keq s ILE 103 Ca 0.24 0.01 -0.14 0.00 -0.26 0.00 0.00 60.65 60.50 2keq s ILE 103 Cb -0.15 -0.16 0.16 0.00 1.25 0.00 0.00 42.46 43.55 2keq s ILE 103 CO 0.10 0.00 1.21 -1.59 0.24 0.00 0.00 174.94 174.90 2keq s LYS 104 N 0.13 0.93 -0.05 0.37 0.00 -1.26 -3.99 119.74 115.87 2keq s LYS 104 Ca -0.01 -0.03 -0.30 0.00 0.00 0.00 0.00 55.97 55.64 2keq s LYS 104 Cb -0.01 -1.84 -0.06 0.00 0.00 0.00 0.00 37.83 35.91 2keq s LYS 104 CO -0.00 -2.28 1.80 0.42 0.00 0.00 0.00 175.35 175.29 2keq s ILE 105 N -3.53 3.36 0.05 3.79 1.01 -1.26 -3.93 121.20 120.69 2keq s ILE 105 Ca 0.67 0.42 -0.18 0.00 0.00 0.00 0.00 60.65 61.56 2keq s ILE 105 Cb -0.10 -3.30 -0.14 0.00 0.01 0.00 0.00 42.46 38.93 2keq s ILE 105 CO 0.52 -0.06 1.31 0.00 0.00 0.00 0.00 174.94 176.71 2keq h ALA 106 N 10.42 0.25 -2.60 9.38 0.00 -1.15 -3.47 119.26 132.09 2keq h ALA 106 Ca -0.42 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 53.96 2keq h ALA 106 Cb 1.20 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 2keq h ALA 106 CO 0.95 0.27 -0.27 0.95 0.00 0.00 0.00 179.25 181.15 2keq s THR 107 N -4.06 0.04 0.00 0.00 -4.23 -1.23 -5.02 115.64 101.15 2keq s THR 107 Ca -0.13 -0.34 -0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2keq s THR 107 Cb 0.06 -0.59 -0.00 0.00 1.34 0.00 0.00 72.50 73.31 2keq s THR 107 CO 0.79 -0.19 0.00 -0.60 -0.54 0.00 0.00 174.62 174.09 2keq s ARG 108 N -0.94 0.08 -0.04 3.99 3.00 -1.26 -2.80 118.95 120.98 2keq s ARG 108 Ca -0.10 -0.11 -0.23 0.00 -1.00 0.00 0.00 55.73 54.29 2keq s ARG 108 Cb -0.04 0.03 0.05 0.00 0.00 0.00 0.00 34.95 34.98 2keq s ARG 108 CO 0.03 -0.01 0.50 0.15 0.00 0.00 0.00 175.30 175.97 2keq s LYS 109 N -0.30 0.85 0.18 5.12 1.02 -1.25 -5.00 119.74 120.36 2keq s LYS 109 Ca -0.03 0.08 -0.31 0.00 0.02 0.00 0.00 55.97 55.72 2keq s LYS 109 Cb -0.02 0.39 -0.10 0.00 -0.52 0.00 0.00 37.83 37.58 2keq s LYS 109 CO -0.00 -0.24 1.56 -0.47 -0.92 0.00 0.00 175.35 175.27 2keq s TYR 110 N -1.16 3.04 -0.21 3.18 5.04 -1.26 -1.00 117.35 124.98 2keq s TYR 110 Ca -0.12 0.67 -0.13 0.00 -2.44 0.00 0.00 57.07 55.06 2keq s TYR 110 Cb -0.03 -3.93 -0.09 0.00 0.35 0.00 0.00 41.96 38.27 2keq s TYR 110 CO 0.07 -3.37 -0.30 1.28 -1.34 0.00 0.00 175.55 171.88 2keq n LEU 111 N 3.71 1.69 0.00 6.97 4.77 -0.60 -4.88 117.00 128.67 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 0.38 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2keq n LEU 111 CO 0.61 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2keq n GLY 112 N 1.60 -0.69 2.41 -0.72 0.00 -1.15 -5.04 105.19 101.60 2keq n GLY 112 Ca -0.37 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 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 1.74 -2.49 1.61 4.81 -1.26 -0.40 118.16 122.17 2keq n LYS 113 Ca 0.00 -3.94 -0.29 0.00 -0.87 0.00 0.00 58.31 53.21 2keq n LYS 113 Cb 0.00 -1.81 -0.01 0.00 0.02 0.00 0.00 35.03 33.23 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 -2.36 3.61 -0.17 1.64 -0.21 -1.17 -4.36 119.66 116.64 2keq s GLN 114 Ca 0.41 0.40 -0.29 0.00 0.02 0.00 0.00 55.36 55.90 2keq s GLN 114 Cb 0.25 -2.30 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 2keq s GLN 114 CO -0.09 -0.26 1.89 1.21 -2.12 0.00 0.00 175.29 175.92 2keq s ASN 115 N -3.92 6.07 0.15 5.90 3.04 -1.24 -2.75 114.94 122.19 2keq s ASN 115 Ca 0.50 1.90 0.09 0.00 0.04 0.00 0.00 52.86 55.39 2keq s ASN 115 Cb -0.10 -2.52 -0.04 0.00 -1.54 0.00 0.00 41.25 37.04 2keq s ASN 115 CO 0.44 -1.46 -0.21 0.68 -3.04 0.00 0.00 177.10 173.51 2keq s VAL 116 N 6.12 1.90 0.06 -5.21 -7.23 -1.26 -3.31 120.40 111.47 2keq s VAL 116 Ca 0.84 -1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 59.17 2keq s VAL 116 Cb -0.31 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 2keq s VAL 116 CO 0.34 -0.17 0.07 -0.31 -0.31 0.00 0.00 175.10 174.72 2keq s TYR 117 N -1.62 0.32 -0.18 2.82 1.51 -0.06 -2.43 117.35 117.70 2keq s TYR 117 Ca 0.13 -0.78 -0.13 0.00 -1.01 0.00 0.00 57.07 55.29 2keq s TYR 117 Cb -0.08 -0.22 0.06 0.00 -0.11 0.00 0.00 41.96 41.61 2keq s TYR 117 CO 0.06 -0.43 0.46 0.16 -1.11 0.00 0.00 175.55 174.70 2keq s ASP 118 N -2.72 -0.55 0.34 2.29 -4.77 -0.65 -1.41 116.67 109.21 2keq s ASP 118 Ca 0.03 0.98 -0.07 0.00 -3.30 0.00 0.00 52.55 50.20 2keq s ASP 118 Cb 0.05 0.91 -0.05 0.00 -1.09 0.00 0.00 42.92 42.74 2keq s ASP 118 CO -0.09 -0.18 0.64 0.27 0.70 0.00 0.00 175.17 176.50 2keq s ILE 119 N 0.92 4.94 0.15 2.11 -4.36 -1.26 -1.22 121.20 122.48 2keq s ILE 119 Ca -0.05 0.24 0.06 0.00 -0.26 0.00 0.00 60.65 60.64 2keq s ILE 119 Cb -0.06 -3.74 -0.04 0.00 1.25 0.00 0.00 42.46 39.87 2keq s ILE 119 CO -0.08 -0.42 0.01 -0.83 0.24 0.00 0.00 174.94 173.86 2keq s GLY 120 N -3.24 1.77 0.03 6.27 0.00 -0.01 -4.84 107.32 107.31 2keq s GLY 120 Ca 0.46 -1.29 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 2keq s GLY 120 CO 0.31 -1.29 0.09 0.14 0.00 0.00 0.00 173.10 172.35 2keq s VAL 121 N -1.61 0.13 -0.21 1.40 1.01 -0.98 -0.83 120.40 119.30 2keq s VAL 121 Ca 0.27 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2keq s VAL 121 Cb -0.10 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.37 2keq s VAL 121 CO 0.19 -0.59 2.17 -0.62 0.00 0.00 0.00 175.10 176.24 2keq n GLU 122 N 0.85 1.87 -1.89 2.72 4.71 -1.26 -2.32 120.64 125.32 2keq n GLU 122 Ca -0.19 0.55 -0.10 0.00 -0.01 0.00 0.00 57.16 57.40 2keq n GLU 122 Cb 0.58 -3.00 -0.02 0.00 -1.01 0.00 0.00 31.44 27.98 2keq n GLU 122 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2keq n ARG 123 N 8.36 -1.80 -3.88 3.49 1.74 -1.26 -4.95 116.66 118.36 2keq n ARG 123 Ca 0.31 0.56 -0.09 0.00 -0.77 0.00 0.00 57.85 57.86 2keq n ARG 123 Cb 0.38 -4.95 -0.07 0.00 -1.02 0.00 0.00 32.46 26.80 2keq n ARG 123 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2keq s ASP 124 N -1.96 0.13 -0.09 0.55 1.01 -0.98 -5.07 116.67 110.26 2keq s ASP 124 Ca 0.00 -0.69 0.22 0.00 0.71 0.00 0.00 52.55 52.80 2keq s ASP 124 Cb 0.00 0.34 0.41 0.00 1.01 0.00 0.00 42.92 44.69 2keq s ASP 124 CO 0.00 -0.74 1.15 1.41 0.21 0.00 0.00 175.17 177.20 2keq n HIS 125 N -0.07 0.27 -4.26 4.23 8.25 -1.26 -2.32 115.22 120.06 2keq n HIS 125 Ca -0.14 -1.02 -0.14 0.00 -0.26 0.00 0.00 57.72 56.15 2keq n HIS 125 Cb 0.62 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.59 2keq n HIS 125 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2keq s ASN 126 N -2.39 1.73 -0.20 0.41 4.22 -1.26 -1.67 114.94 115.77 2keq s ASN 126 Ca 0.28 -1.06 -0.32 0.00 -2.14 0.00 0.00 52.86 49.62 2keq s ASN 126 Cb 0.34 0.01 0.15 0.00 1.28 0.00 0.00 41.25 43.03 2keq s ASN 126 CO -0.12 -0.39 1.19 0.72 -2.04 0.00 0.00 177.10 176.47 2keq s PHE 127 N -3.38 -0.16 -0.13 1.54 -0.12 -1.14 -4.84 117.98 109.73 2keq s PHE 127 Ca 0.19 0.21 -0.29 0.00 -0.05 0.00 0.00 56.93 56.98 2keq s PHE 127 Cb 0.03 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 2keq s PHE 127 CO 0.02 -0.20 1.02 0.00 -0.05 0.00 0.00 175.22 176.01 2keq s ALA 128 N -1.73 3.47 1.11 1.99 0.00 -0.49 -3.23 121.76 122.88 2keq s ALA 128 Ca 0.06 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.20 2keq s ALA 128 Cb -0.01 -3.46 0.24 0.00 0.00 0.00 0.00 23.12 19.89 2keq s ALA 128 CO -0.04 -0.71 1.10 -0.51 0.00 0.00 0.00 175.76 175.59 2keq s LEU 129 N 2.29 1.11 0.31 0.00 1.43 0.38 -3.12 118.68 121.08 2keq s LEU 129 Ca 0.47 0.93 0.07 0.00 -1.03 0.00 0.00 54.13 54.57 2keq s LEU 129 Cb -0.18 -2.88 0.84 0.00 0.03 0.00 0.00 46.19 44.00 2keq s LEU 129 CO 0.15 -3.66 1.66 0.07 0.23 0.00 0.00 176.35 174.81 2keq h LYS 130 N -2.26 0.29 -0.01 1.70 2.10 -1.53 0.03 116.57 116.90 2keq h LYS 130 Ca -0.51 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2keq h LYS 130 Cb 1.32 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2keq h LYS 130 CO 0.47 0.19 -0.37 0.09 -2.00 0.00 0.00 179.45 177.83 2keq n ASN 131 N -5.12 0.97 0.00 7.07 4.13 -1.26 -4.92 115.26 116.12 2keq n ASN 131 Ca 0.25 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.73 2keq n ASN 131 Cb 0.77 0.23 0.00 0.00 -1.54 0.00 0.00 39.78 39.24 2keq n ASN 131 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2keq n GLY 132 N 1.39 1.68 3.65 7.41 0.00 -0.00 -4.44 105.19 114.88 2keq n GLY 132 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2keq n GLY 132 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2keq n PHE 133 N -0.41 1.65 -3.61 1.61 3.72 -1.26 -3.17 117.46 116.01 2keq n PHE 133 Ca 0.00 0.54 -0.40 0.00 -0.05 0.00 0.00 57.45 57.55 2keq n PHE 133 Cb 0.00 -2.30 -0.08 0.00 -0.94 0.00 0.00 39.48 36.16 2keq n PHE 133 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2keq s ILE 134 N -1.22 4.21 0.34 4.37 1.09 -1.24 -0.47 121.20 128.28 2keq s ILE 134 Ca 0.62 -2.64 -0.28 0.00 -1.10 0.00 0.00 60.65 57.25 2keq s ILE 134 Cb -0.55 -3.71 -0.09 0.00 -1.06 0.00 0.00 42.46 37.05 2keq s ILE 134 CO 0.58 -0.89 1.19 0.00 -0.10 0.00 0.00 174.94 175.72 2keq s ALA 135 N 0.25 3.35 -0.02 9.38 0.00 -1.20 -0.61 121.76 132.91 2keq s ALA 135 Ca 0.15 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2keq s ALA 135 Cb -0.19 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.55 2keq s ALA 135 CO -0.04 -0.45 0.00 0.45 0.00 0.00 0.00 175.76 175.72 2keq s SER 136 N -0.83 0.24 0.00 0.00 0.15 -0.20 -2.89 113.70 110.17 2keq s SER 136 Ca 0.50 -0.01 0.18 0.00 0.70 0.00 0.00 55.95 57.32 2keq s SER 136 Cb -0.34 -0.11 0.14 0.00 -1.71 0.00 0.00 66.02 64.00 2keq s SER 136 CO 0.44 -0.06 1.07 -3.20 1.20 0.00 0.00 173.24 172.69