#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 1.33 0.26 -0.02 0.00 -1.26 -4.71 107.32 102.92 2keq s GLY 0 Ca 0.00 -1.45 -0.20 0.00 0.00 0.00 0.00 44.72 43.07 2keq s GLY 0 CO 0.00 -1.04 0.92 0.00 0.00 0.00 0.00 173.10 172.99 2keq s ALA 1 N -3.55 -1.27 0.13 3.20 0.00 -1.26 -4.78 121.76 114.23 2keq s ALA 1 Ca 0.31 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.94 2keq s ALA 1 Cb 0.01 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2keq s ALA 1 CO 0.17 -1.03 -0.24 -0.51 0.00 0.00 0.00 175.76 174.15 2keq s LEU 2 N -3.20 2.34 0.82 0.00 1.43 -0.42 -2.35 118.68 117.30 2keq s LEU 2 Ca 0.18 -0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 2keq s LEU 2 Cb -0.04 -1.06 0.09 0.00 0.03 0.00 0.00 46.19 45.22 2keq s LEU 2 CO 0.07 0.11 1.11 -0.55 0.23 0.00 0.00 176.35 177.32 2keq s SER 3 N -2.14 3.92 0.25 2.29 0.15 -0.73 -1.02 113.70 116.42 2keq s SER 3 Ca 0.12 1.96 -0.04 0.00 0.70 0.00 0.00 55.95 58.70 2keq s SER 3 Cb -0.09 -2.54 0.48 0.00 -1.71 0.00 0.00 66.02 62.15 2keq s SER 3 CO 0.06 -2.43 1.71 0.22 1.20 0.00 0.00 173.24 174.00 2keq h TYR 4 N -1.39 0.44 0.00 3.44 5.03 -1.92 -1.33 116.97 121.23 2keq h TYR 4 Ca -0.43 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.91 2keq h TYR 4 Cb 1.25 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2keq h TYR 4 CO 0.55 0.00 0.00 0.39 -1.32 0.00 0.00 178.16 177.78 2keq n GLU 5 N -5.06 0.03 -1.89 1.82 1.02 -1.26 -3.59 120.64 111.71 2keq n GLU 5 Ca 0.15 0.42 -0.30 0.00 -0.02 0.00 0.00 57.16 57.41 2keq n GLU 5 Cb 0.45 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.24 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 -3.08 3.28 0.20 2.62 2.01 -0.50 -4.87 115.64 115.29 2keq s THR 6 Ca 0.02 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 2keq s THR 6 Cb 0.05 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 68.80 2keq s THR 6 CO 0.14 -0.65 1.16 -1.61 -0.69 0.00 0.00 174.62 172.98 2keq s GLU 7 N 7.52 4.53 -0.17 4.92 2.02 -1.26 -1.19 118.70 135.07 2keq s GLU 7 Ca 0.77 1.84 0.00 0.00 0.02 0.00 0.00 54.97 57.60 2keq s GLU 7 Cb -0.11 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 30.89 2keq s GLU 7 CO 0.12 -0.01 -0.17 0.42 0.02 0.00 0.00 175.26 175.64 2keq s ILE 8 N -0.28 2.40 0.06 -1.63 -1.09 -0.05 -2.92 121.20 117.69 2keq s ILE 8 Ca 0.51 -0.84 -0.31 0.00 -2.23 0.00 0.00 60.65 57.78 2keq s ILE 8 Cb -0.32 -2.01 -0.08 0.00 -1.58 0.00 0.00 42.46 38.46 2keq s ILE 8 CO 0.37 0.52 1.67 -0.22 -1.23 0.00 0.00 174.94 176.05 2keq s LEU 9 N 1.07 4.37 0.17 2.97 2.96 -1.22 -2.66 118.68 126.33 2keq s LEU 9 Ca -0.01 2.48 0.08 0.00 -0.22 0.00 0.00 54.13 56.47 2keq s LEU 9 Cb -0.14 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2keq s LEU 9 CO -0.06 -0.90 -0.17 0.42 -1.32 0.00 0.00 176.35 174.33 2keq s THR 10 N 2.81 1.74 0.11 3.68 -4.23 -0.36 -3.91 115.64 115.48 2keq s THR 10 Ca 0.75 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 2keq s THR 10 Cb -0.40 -1.84 -0.23 0.00 1.34 0.00 0.00 72.50 71.37 2keq s THR 10 CO 0.32 -0.39 1.24 0.58 -0.54 0.00 0.00 174.62 175.84 2keq h VAL 11 N 3.14 1.66 -0.38 2.29 2.07 -1.77 -2.33 116.25 120.92 2keq h VAL 11 Ca -0.41 -3.32 -0.04 0.00 0.82 0.00 0.00 66.70 63.75 2keq h VAL 11 Cb 1.21 2.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.83 2keq h VAL 11 CO 0.53 0.95 0.05 -0.33 0.02 0.00 0.00 177.57 178.80 2keq h GLU 12 N 0.02 0.58 0.00 1.57 4.39 -1.95 -3.43 114.58 115.76 2keq h GLU 12 Ca -0.05 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2keq h GLU 12 Cb 1.83 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 2keq h GLU 12 CO 0.15 0.57 0.00 0.66 -1.16 0.00 0.00 179.01 179.23 2keq n TYR 13 N -4.30 -0.38 0.00 4.33 4.01 -1.25 -5.12 117.16 114.45 2keq n TYR 13 Ca 0.02 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2keq n TYR 13 Cb 0.22 0.53 0.00 0.00 -0.31 0.00 0.00 39.34 39.78 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 1.32 0.50 3.58 2.72 0.00 -0.87 -4.96 105.19 107.48 2keq n GLY 14 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 3.46 0.05 0.99 1.43 -1.26 -1.23 118.68 122.12 2keq s LEU 15 Ca 0.00 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 53.99 2keq s LEU 15 Cb 0.00 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 2keq s LEU 15 CO 0.00 -1.81 -0.10 -0.76 0.23 0.00 0.00 176.35 173.90 2keq s LEU 16 N 7.03 2.25 0.12 1.79 1.43 -1.09 -4.90 118.68 125.31 2keq s LEU 16 Ca 0.70 -0.55 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 2keq s LEU 16 Cb -0.17 -0.30 -0.09 0.00 0.03 0.00 0.00 46.19 45.65 2keq s LEU 16 CO 0.29 -0.14 1.58 -2.16 0.23 0.00 0.00 176.35 176.15 2keq s PRO 17 N -1.56 4.22 0.37 1.29 0.04 -1.26 -0.88 135.00 137.22 2keq s PRO 17 Ca -0.06 2.32 0.10 0.00 0.04 0.00 0.00 61.00 63.39 2keq s PRO 17 Cb -0.10 -3.33 0.86 0.00 0.04 0.00 0.00 34.50 31.98 2keq s PRO 17 CO 0.01 -0.64 1.89 0.97 0.04 0.00 0.00 177.00 179.28 2keq h ILE 18 N 4.34 0.85 -0.38 0.56 2.10 -1.21 -2.34 117.51 121.43 2keq h ILE 18 Ca -0.42 -0.22 -0.07 0.00 1.08 0.00 0.00 64.86 65.23 2keq h ILE 18 Cb 1.20 0.16 -0.02 0.00 -1.09 0.00 0.00 36.82 37.08 2keq h ILE 18 CO 0.91 0.12 -0.04 1.23 -1.08 0.00 0.00 178.15 179.29 2keq h GLY 19 N 0.63 0.67 1.65 8.18 0.00 -1.82 -0.88 103.07 111.51 2keq h GLY 19 Ca 0.41 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 2keq h GLY 19 CO -0.17 0.41 -0.53 1.70 0.00 0.00 0.00 176.54 177.96 2keq h LYS 20 N 0.59 0.37 -0.36 4.80 3.64 -1.72 0.29 116.57 124.18 2keq h LYS 20 Ca 0.12 -0.22 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 2keq h LYS 20 Cb 0.43 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2keq h LYS 20 CO 0.02 0.81 -0.37 0.82 -2.27 0.00 0.00 179.45 178.46 2keq h ILE 21 N 0.29 1.28 0.14 2.00 2.04 -1.28 -2.76 117.51 119.22 2keq h ILE 21 Ca 0.01 -1.54 -0.31 0.00 1.00 0.00 0.00 64.86 64.01 2keq h ILE 21 Cb 1.02 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2keq h ILE 21 CO 0.09 0.51 -1.54 0.58 0.00 0.00 0.00 178.15 177.78 2keq h VAL 22 N 0.70 1.15 0.00 1.67 2.07 -1.10 0.64 116.25 121.39 2keq h VAL 22 Ca 0.06 -2.76 -0.05 0.00 0.82 0.00 0.00 66.70 64.78 2keq h VAL 22 Cb 0.94 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 2keq h VAL 22 CO 0.09 0.83 -0.22 -0.33 0.02 0.00 0.00 177.57 177.96 2keq h GLU 23 N 0.08 0.00 -0.03 1.57 4.39 -1.01 -3.18 114.58 116.40 2keq h GLU 23 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2keq h GLU 23 Cb 2.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 2keq h GLU 23 CO 0.18 0.22 0.00 1.63 -1.16 0.00 0.00 179.01 179.88 2keq n LYS 24 N -3.75 0.20 -3.93 2.33 4.76 -1.04 -5.03 118.16 111.70 2keq n LYS 24 Ca -0.01 -0.95 -0.29 0.00 -2.87 0.00 0.00 58.31 54.18 2keq n LYS 24 Cb 0.33 -1.10 -0.01 0.00 -1.84 0.00 0.00 35.03 32.41 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 0.25 -2.30 -2.24 1.97 1.74 -0.15 -4.88 116.66 111.05 2keq n ARG 25 Ca 0.03 0.36 -0.43 0.00 -0.77 0.00 0.00 57.85 57.04 2keq n ARG 25 Cb 0.16 -4.15 -0.02 0.00 -1.02 0.00 0.00 32.46 27.42 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 -3.84 3.88 -0.37 0.55 1.01 0.03 -4.95 121.20 117.51 2keq s ILE 26 Ca 0.16 0.99 -0.28 0.00 0.00 0.00 0.00 60.65 61.52 2keq s ILE 26 Cb -0.07 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2keq s ILE 26 CO 0.90 -0.36 1.81 -1.61 0.00 0.00 0.00 174.94 175.68 2keq s GLU 27 N 4.44 3.23 0.20 2.79 2.02 -1.26 -4.96 118.70 125.17 2keq s GLU 27 Ca 0.65 1.33 -0.08 0.00 0.02 0.00 0.00 54.97 56.88 2keq s GLU 27 Cb -0.22 -4.22 -0.01 0.00 0.10 0.00 0.00 34.13 29.77 2keq s GLU 27 CO 0.26 -1.98 0.32 0.00 0.02 0.00 0.00 175.26 173.88 2keq s THR 29 N -4.03 4.84 0.18 0.00 2.01 -1.26 -1.48 115.64 115.89 2keq s THR 29 Ca 0.24 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.72 2keq s THR 29 Cb 0.03 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 2keq s THR 29 CO 0.06 0.18 -0.07 0.68 -0.69 0.00 0.00 174.62 174.78 2keq s VAL 30 N -1.38 1.19 0.12 3.82 -7.23 0.10 -2.28 120.40 114.74 2keq s VAL 30 Ca 0.30 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2keq s VAL 30 Cb -0.12 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 2keq s VAL 30 CO 0.22 -0.60 0.25 -0.31 -0.31 0.00 0.00 175.10 174.36 2keq s TYR 31 N -3.32 3.49 -0.19 2.82 1.51 -1.25 -1.09 117.35 119.32 2keq s TYR 31 Ca 0.21 0.16 -0.29 0.00 -1.01 0.00 0.00 57.07 56.14 2keq s TYR 31 Cb 0.03 -1.69 0.13 0.00 -0.11 0.00 0.00 41.96 40.31 2keq s TYR 31 CO 0.04 0.54 1.01 0.45 -1.11 0.00 0.00 175.55 176.47 2keq s SER 32 N -2.99 -0.40 0.06 2.29 0.15 -0.41 -0.37 113.70 112.04 2keq s SER 32 Ca 0.35 0.54 -0.30 0.00 0.70 0.00 0.00 55.95 57.23 2keq s SER 32 Cb -0.12 0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 64.61 2keq s SER 32 CO 0.28 -0.29 1.16 0.54 1.20 0.00 0.00 173.24 176.13 2keq s VAL 33 N -0.70 4.16 0.89 4.45 0.11 -1.26 -0.45 120.40 127.59 2keq s VAL 33 Ca -0.00 1.57 -0.10 0.00 -2.93 0.00 0.00 61.98 60.52 2keq s VAL 33 Cb -0.02 -4.01 0.19 0.00 -1.53 0.00 0.00 36.38 31.01 2keq s VAL 33 CO -0.01 0.13 1.21 -0.62 -3.33 0.00 0.00 175.10 172.49 2keq s ASP 34 N 0.98 3.44 0.65 3.54 -1.08 -0.80 -4.93 116.67 118.45 2keq s ASP 34 Ca 0.57 -0.09 0.37 0.00 -0.52 0.00 0.00 52.55 52.88 2keq s ASP 34 Cb -0.28 -0.01 2.03 0.00 -1.46 0.00 0.00 42.92 43.20 2keq s ASP 34 CO 0.29 -2.50 2.20 -1.13 0.52 0.00 0.00 175.17 174.56 2keq h ASN 35 N -1.26 0.00 1.24 -0.34 -1.24 -1.98 -1.22 115.58 110.77 2keq h ASN 35 Ca -0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.61 2keq h ASN 35 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2keq h ASN 35 CO 0.35 0.00 -0.12 0.59 -1.29 0.00 0.00 177.43 176.96 2keq n ASN 36 N -3.25 0.61 0.00 1.15 3.02 -1.26 -4.95 115.26 110.58 2keq n ASN 36 Ca -0.02 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 2keq n ASN 36 Cb 0.20 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 1.36 0.77 3.74 7.41 0.00 -0.46 -5.05 105.19 112.96 2keq n GLY 37 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.55 6.75 -0.02 1.61 0.01 -1.26 -4.83 114.94 114.65 2keq s ASN 38 Ca 0.00 0.90 -0.30 0.00 -0.71 0.00 0.00 52.86 52.75 2keq s ASN 38 Cb 0.00 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.31 2keq s ASN 38 CO 0.00 0.05 1.45 -0.63 -1.51 0.00 0.00 177.10 176.46 2keq s ILE 39 N 0.32 3.68 0.43 0.60 -1.09 -1.26 -1.91 121.20 121.96 2keq s ILE 39 Ca 0.27 1.01 0.05 0.00 -2.23 0.00 0.00 60.65 59.75 2keq s ILE 39 Cb -0.16 -3.65 -0.06 0.00 -1.58 0.00 0.00 42.46 37.01 2keq s ILE 39 CO 0.12 -0.02 0.01 -0.72 -1.23 0.00 0.00 174.94 173.10 2keq s TYR 40 N 2.80 2.32 -0.03 3.97 1.13 0.40 -4.93 117.35 123.01 2keq s TYR 40 Ca 0.66 -0.76 0.07 0.00 -1.41 0.00 0.00 57.07 55.62 2keq s TYR 40 Cb -0.32 -1.70 -0.02 0.00 -1.10 0.00 0.00 41.96 38.82 2keq s TYR 40 CO 0.26 0.36 -0.24 0.95 -2.51 0.00 0.00 175.55 174.38 2keq s THR 41 N -2.79 1.90 -0.02 -3.49 -4.23 -1.26 -1.28 115.64 104.47 2keq s THR 41 Ca 0.28 -1.02 -0.07 0.00 -1.18 0.00 0.00 61.69 59.70 2keq s THR 41 Cb 0.08 -1.58 0.01 0.00 1.34 0.00 0.00 72.50 72.34 2keq s THR 41 CO 0.14 0.54 0.15 0.00 -0.54 0.00 0.00 174.62 174.91 2keq s GLN 42 N -0.48 0.40 0.52 3.99 -2.07 -0.25 -4.95 119.66 116.83 2keq s GLN 42 Ca 0.07 -0.21 -0.20 0.00 -1.82 0.00 0.00 55.36 53.20 2keq s GLN 42 Cb -0.10 0.17 -0.07 0.00 -1.09 0.00 0.00 33.01 31.92 2keq s GLN 42 CO -0.00 -0.09 1.08 -1.25 -1.32 0.00 0.00 175.29 173.71 2keq s PRO 43 N -0.95 3.56 0.42 9.60 0.04 -1.26 -0.72 135.00 145.68 2keq s PRO 43 Ca -0.10 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 2keq s PRO 43 Cb -0.06 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2keq s PRO 43 CO 0.01 -0.66 1.41 0.54 0.04 0.00 0.00 177.00 178.35 2keq s VAL 44 N -1.89 2.19 -0.20 -0.36 0.11 -0.55 -4.77 120.40 114.93 2keq s VAL 44 Ca 0.70 0.18 0.13 0.00 -2.93 0.00 0.00 61.98 60.06 2keq s VAL 44 Cb -0.20 -3.11 -0.23 0.00 -1.53 0.00 0.00 36.38 31.31 2keq s VAL 44 CO 0.24 0.03 0.07 0.00 -3.33 0.00 0.00 175.10 172.11 2keq n ALA 45 N 0.08 1.46 -3.92 1.54 0.00 -0.15 -4.95 120.51 114.59 2keq n ALA 45 Ca 0.03 -1.20 -0.02 0.00 0.00 0.00 0.00 53.44 52.26 2keq n ALA 45 Cb 0.41 -0.24 0.02 0.00 0.00 0.00 0.00 19.45 19.64 2keq n ALA 45 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2keq s GLN 46 N -2.51 1.08 -0.06 0.00 -2.07 -1.06 -4.93 119.66 110.11 2keq s GLN 46 Ca -0.16 -0.70 -0.01 0.00 -1.82 0.00 0.00 55.36 52.67 2keq s GLN 46 Cb 0.07 0.30 0.03 0.00 -1.09 0.00 0.00 33.01 32.32 2keq s GLN 46 CO 0.77 -0.51 0.00 -1.58 -1.32 0.00 0.00 175.29 172.66 2keq s TRP 47 N -2.10 0.57 -0.25 9.60 0.51 -1.26 -0.61 118.94 125.39 2keq s TRP 47 Ca 0.24 -0.11 -0.06 0.00 -2.12 0.00 0.00 56.10 54.06 2keq s TRP 47 Cb -0.02 -0.69 -0.01 0.00 -0.81 0.00 0.00 33.47 31.94 2keq s TRP 47 CO 0.04 -0.27 0.02 -1.01 -0.51 0.00 0.00 176.95 175.22 2keq s HIS 48 N 1.70 3.05 -0.28 -1.98 3.76 0.47 -4.92 115.29 117.08 2keq s HIS 48 Ca 0.01 -0.82 -0.05 0.00 -0.15 0.00 0.00 55.06 54.04 2keq s HIS 48 Cb -0.13 -2.18 0.02 0.00 1.11 0.00 0.00 32.58 31.40 2keq s HIS 48 CO -0.04 -0.51 0.04 0.16 -0.85 0.00 0.00 174.74 173.55 2keq s ASP 49 N 1.52 4.92 0.06 1.40 -4.77 -1.26 -1.51 116.67 117.03 2keq s ASP 49 Ca 0.05 -0.77 0.08 0.00 -3.30 0.00 0.00 52.55 48.60 2keq s ASP 49 Cb -0.15 -1.82 -0.22 0.00 -1.09 0.00 0.00 42.92 39.63 2keq s ASP 49 CO 0.00 -0.18 1.06 0.03 0.70 0.00 0.00 175.17 176.79 2keq h ARG 50 N 8.17 0.02 0.00 2.11 2.47 -1.91 -3.49 114.38 121.76 2keq h ARG 50 Ca -0.31 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 2keq h ARG 50 Cb 1.12 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 2keq h ARG 50 CO 0.59 0.86 0.00 0.41 0.56 0.00 0.00 179.97 182.40 2keq n GLY 51 N 1.44 2.22 0.00 0.04 0.00 -1.25 -4.79 105.19 102.85 2keq n GLY 51 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2keq n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2keq n GLU 52 N 0.00 0.00 -4.35 1.61 0.28 -1.26 -3.92 120.64 113.00 2keq n GLU 52 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 2keq n GLU 52 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 2keq n GLU 52 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2keq s GLN 53 N 0.00 1.36 -0.52 3.44 -0.21 -1.17 -4.91 119.66 117.65 2keq s GLN 53 Ca 0.00 -1.67 -0.26 0.00 0.02 0.00 0.00 55.36 53.45 2keq s GLN 53 Cb 0.00 -0.83 -0.05 0.00 1.00 0.00 0.00 33.01 33.13 2keq s GLN 53 CO 0.00 -0.00 2.23 -1.83 -2.12 0.00 0.00 175.29 173.56 2keq s GLU 54 N -3.78 2.30 0.00 2.91 -1.05 -1.26 -3.00 118.70 114.81 2keq s GLU 54 Ca 0.26 1.17 -0.18 0.00 -0.15 0.00 0.00 54.97 56.08 2keq s GLU 54 Cb 0.04 -4.51 -0.06 0.00 -0.44 0.00 0.00 34.13 29.16 2keq s GLU 54 CO 0.08 -3.07 0.51 0.08 0.95 0.00 0.00 175.26 173.81 2keq s VAL 55 N 11.09 4.94 -0.04 1.83 1.01 0.07 -3.96 120.40 135.33 2keq s VAL 55 Ca 0.88 1.06 0.06 0.00 0.00 0.00 0.00 61.98 63.98 2keq s VAL 55 Cb -0.16 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2keq s VAL 55 CO 0.25 0.50 -0.24 -0.36 0.00 0.00 0.00 175.10 175.24 2keq s PHE 56 N -0.63 2.31 0.10 5.22 0.40 -0.26 -1.65 117.98 123.47 2keq s PHE 56 Ca 0.27 -0.61 -0.31 0.00 -0.60 0.00 0.00 56.93 55.68 2keq s PHE 56 Cb -0.18 -1.51 -0.09 0.00 0.51 0.00 0.00 43.02 41.75 2keq s PHE 56 CO 0.15 -0.16 1.71 -2.00 0.70 0.00 0.00 175.22 175.62 2keq s GLU 57 N -0.27 4.18 -0.38 0.44 2.12 0.13 -3.14 118.70 121.78 2keq s GLU 57 Ca 0.00 2.44 0.01 0.00 0.36 0.00 0.00 54.97 57.78 2keq s GLU 57 Cb -0.12 -3.53 0.11 0.00 0.26 0.00 0.00 34.13 30.85 2keq s GLU 57 CO 0.02 -0.76 0.12 -0.47 -0.54 0.00 0.00 175.26 173.64 2keq s TYR 58 N 2.46 3.67 0.05 5.30 5.04 0.01 -3.63 117.35 130.24 2keq s TYR 58 Ca 0.76 -2.81 0.04 0.00 -2.44 0.00 0.00 57.07 52.62 2keq s TYR 58 Cb -0.43 -3.03 -0.04 0.00 0.35 0.00 0.00 41.96 38.81 2keq s TYR 58 CO 0.34 -0.94 -0.04 0.00 -1.34 0.00 0.00 175.55 173.56 2keq s LEU 60 N -1.88 3.38 0.50 0.00 2.96 -0.65 -0.85 118.68 122.14 2keq s LEU 60 Ca 0.21 -0.65 0.27 0.00 -0.22 0.00 0.00 54.13 53.74 2keq s LEU 60 Cb -0.11 -1.90 1.28 0.00 0.50 0.00 0.00 46.19 45.96 2keq s LEU 60 CO 0.13 -0.27 1.99 -0.33 -1.32 0.00 0.00 176.35 176.54 2keq h GLU 61 N 1.49 0.00 0.00 1.98 4.39 -1.90 -2.32 114.58 118.22 2keq h GLU 61 Ca -0.44 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.14 2keq h GLU 61 Cb 1.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 2keq h GLU 61 CO 0.62 0.15 -0.61 0.22 -1.16 0.00 0.00 179.01 178.23 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 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2keq h ASP 62 CO 0.02 0.52 0.00 0.61 -2.88 0.00 0.00 179.24 177.51 2keq n GLY 63 N 1.24 1.36 3.67 -0.78 0.00 -0.87 -5.13 105.19 104.69 2keq n GLY 63 Ca 0.01 0.00 -0.41 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 2.03 -3.93 1.61 7.64 -1.26 -4.76 113.62 114.96 2keq n SER 64 Ca 0.00 1.06 -0.25 0.00 1.01 0.00 0.00 58.87 60.69 2keq n SER 64 Cb 0.00 -1.45 -0.17 0.00 -1.01 0.00 0.00 64.21 61.58 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 -1.42 1.29 0.06 -3.43 1.98 -1.26 -1.64 118.68 114.26 2keq s LEU 65 Ca 0.63 -0.26 0.03 0.00 -2.89 0.00 0.00 54.13 51.64 2keq s LEU 65 Cb -0.52 -0.75 -0.03 0.00 0.66 0.00 0.00 46.19 45.56 2keq s LEU 65 CO 0.56 -0.07 -0.09 -0.63 -1.89 0.00 0.00 176.35 174.24 2keq s ILE 66 N 1.31 0.66 -0.15 6.68 1.01 0.16 -5.03 121.20 125.84 2keq s ILE 66 Ca -0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 60.65 59.31 2keq s ILE 66 Cb -0.14 -0.88 0.05 0.00 0.01 0.00 0.00 42.46 41.51 2keq s ILE 66 CO -0.03 -0.45 0.04 -0.13 0.00 0.00 0.00 174.94 174.37 2keq s ARG 67 N -2.02 0.44 0.17 2.79 0.52 -1.26 -0.81 118.95 118.77 2keq s ARG 67 Ca -0.05 -0.15 -0.06 0.00 -0.52 0.00 0.00 55.73 54.95 2keq s ARG 67 Cb -0.07 -1.66 -0.02 0.00 0.52 0.00 0.00 34.95 33.72 2keq s ARG 67 CO -0.00 -0.55 0.22 0.00 0.02 0.00 0.00 175.30 174.99 2keq s ALA 68 N 1.98 0.37 0.40 2.13 0.00 -1.19 -1.77 121.76 123.69 2keq s ALA 68 Ca 0.02 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 2keq s ALA 68 Cb -0.15 0.95 -0.08 0.00 0.00 0.00 0.00 23.12 23.83 2keq s ALA 68 CO -0.07 -0.62 0.83 0.95 0.00 0.00 0.00 175.76 176.85 2keq s THR 69 N -4.02 4.63 -0.18 0.00 -4.23 -0.99 -1.11 115.64 109.74 2keq s THR 69 Ca 0.22 1.01 0.23 0.00 -1.18 0.00 0.00 61.69 61.98 2keq s THR 69 Cb 0.05 -3.66 0.24 0.00 1.34 0.00 0.00 72.50 70.46 2keq s THR 69 CO 0.03 -0.40 1.72 0.11 -0.54 0.00 0.00 174.62 175.54 2keq h LYS 70 N 1.67 0.00 0.00 3.99 1.57 -1.93 -2.35 116.57 119.52 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 0.63 0.00 -0.78 -0.44 -0.57 0.00 0.00 179.45 178.29 2keq h ASP 71 N 0.00 0.00 -3.46 0.86 3.32 -1.91 -3.35 116.42 111.89 2keq h ASP 71 Ca 0.00 -0.15 -0.53 0.00 0.02 0.00 0.00 57.03 56.37 2keq h ASP 71 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2keq h ASP 71 CO 0.00 0.08 0.36 -2.28 -1.72 0.00 0.00 179.24 175.68 2keq s HIS 72 N -3.24 3.71 0.39 4.55 2.46 -0.89 -4.02 115.29 118.25 2keq s HIS 72 Ca 0.04 1.72 -0.06 0.00 0.47 0.00 0.00 55.06 57.23 2keq s HIS 72 Cb 0.12 -3.09 -0.05 0.00 -0.13 0.00 0.00 32.58 29.43 2keq s HIS 72 CO 0.75 0.06 0.69 0.15 -2.47 0.00 0.00 174.74 173.92 2keq s LYS 73 N 0.68 3.63 0.00 2.88 3.01 -1.12 -2.93 119.74 125.89 2keq s LYS 73 Ca 0.50 0.17 0.02 0.00 -1.01 0.00 0.00 55.97 55.64 2keq s LYS 73 Cb -0.22 -2.49 -0.01 0.00 -1.01 0.00 0.00 37.83 34.11 2keq s LYS 73 CO 0.28 0.00 -0.06 -0.06 0.51 0.00 0.00 175.35 176.03 2keq s PHE 74 N -2.40 0.50 -0.38 3.18 0.40 -0.55 -1.19 117.98 117.54 2keq s PHE 74 Ca 0.47 -0.13 -0.28 0.00 -0.60 0.00 0.00 56.93 56.38 2keq s PHE 74 Cb -0.10 -0.32 -0.02 0.00 0.51 0.00 0.00 43.02 43.09 2keq s PHE 74 CO 0.36 -0.02 1.78 1.41 0.70 0.00 0.00 175.22 179.45 2keq s MET 75 N -0.27 3.25 0.99 0.44 -2.45 -0.58 -3.07 119.30 117.61 2keq s MET 75 Ca 0.01 1.27 -0.12 0.00 -1.25 0.00 0.00 55.69 55.59 2keq s MET 75 Cb -0.03 -4.21 0.18 0.00 1.25 0.00 0.00 34.83 32.02 2keq s MET 75 CO -0.00 -1.96 1.10 0.95 1.05 0.00 0.00 175.02 176.16 2keq s THR 76 N 7.10 2.02 0.61 10.11 -4.23 -0.70 -1.30 115.64 129.26 2keq s THR 76 Ca 0.76 0.01 0.30 0.00 -1.18 0.00 0.00 61.69 61.58 2keq s THR 76 Cb -0.20 -2.55 0.36 0.00 1.34 0.00 0.00 72.50 71.45 2keq s THR 76 CO 0.32 -0.01 2.00 -0.37 -0.54 0.00 0.00 174.62 176.02 2keq h VAL 77 N -1.85 0.29 -0.00 2.29 -1.51 -1.43 0.65 116.25 114.69 2keq h VAL 77 Ca -0.54 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 2keq h VAL 77 Cb 1.33 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2keq h VAL 77 CO 0.59 0.00 -0.28 0.47 -1.23 0.00 0.00 177.57 177.12 2keq n ASP 78 N -3.49 0.59 0.00 4.19 8.00 -1.26 -4.93 116.55 119.65 2keq n ASP 78 Ca 0.03 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2keq n ASP 78 Cb 0.44 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.22 -5.06 105.19 106.65 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 -0.57 4.46 -0.95 1.61 -0.21 -1.26 -4.72 119.66 118.02 2keq s GLN 80 Ca 0.00 1.40 -0.23 0.00 0.02 0.00 0.00 55.36 56.55 2keq s GLN 80 Cb 0.00 -3.52 0.06 0.00 1.00 0.00 0.00 33.01 30.55 2keq s GLN 80 CO 0.00 -0.25 1.37 0.00 -2.12 0.00 0.00 175.29 174.29 2keq s MET 81 N 1.75 3.50 0.06 2.91 0.23 -1.26 -1.72 119.30 124.77 2keq s MET 81 Ca 0.49 -1.01 0.08 0.00 -1.03 0.00 0.00 55.69 54.22 2keq s MET 81 Cb -0.19 -5.05 -0.03 0.00 -1.53 0.00 0.00 34.83 28.02 2keq s MET 81 CO 0.21 -2.14 -0.19 -0.51 -2.03 0.00 0.00 175.02 170.35 2keq s LEU 82 N 4.85 2.57 0.51 0.18 1.43 -1.17 -4.80 118.68 122.24 2keq s LEU 82 Ca 0.42 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.81 2keq s LEU 82 Cb -0.03 -1.48 -0.06 0.00 0.03 0.00 0.00 46.19 44.65 2keq s LEU 82 CO -0.05 0.24 1.26 -2.16 0.23 0.00 0.00 176.35 175.87 2keq s PRO 83 N -1.59 3.43 0.56 1.29 0.04 -1.26 -1.48 135.00 135.98 2keq s PRO 83 Ca 0.15 2.00 0.23 0.00 0.04 0.00 0.00 61.00 63.43 2keq s PRO 83 Cb -0.10 -2.32 1.53 0.00 0.04 0.00 0.00 34.50 33.64 2keq s PRO 83 CO 0.06 -0.88 2.17 0.97 0.04 0.00 0.00 177.00 179.35 2keq h ILE 84 N 1.64 0.74 -0.74 0.56 2.10 -1.66 0.67 117.51 120.82 2keq h ILE 84 Ca -0.50 0.00 0.11 0.00 1.08 0.00 0.00 64.86 65.54 2keq h ILE 84 Cb 1.27 0.95 -0.05 0.00 -1.09 0.00 0.00 36.82 37.91 2keq h ILE 84 CO 0.59 0.00 0.49 -0.78 -1.08 0.00 0.00 178.15 177.36 2keq h ASP 85 N 0.00 0.55 0.49 2.19 3.58 -1.90 -1.94 116.42 119.39 2keq h ASP 85 Ca 0.03 0.02 -0.30 0.00 0.42 0.00 0.00 57.03 57.20 2keq h ASP 85 Cb 0.16 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2keq h ASP 85 CO -0.00 0.32 -1.53 -0.08 -2.88 0.00 0.00 179.24 175.07 2keq h GLU 86 N 0.60 0.19 -0.91 0.28 4.81 -1.23 -3.31 114.58 115.02 2keq h GLU 86 Ca 0.35 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2keq h GLU 86 Cb 0.53 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 2keq h GLU 86 CO -0.12 1.03 0.57 0.82 -0.73 0.00 0.00 179.01 180.57 2keq h ILE 87 N 0.05 1.24 -0.65 2.32 2.04 -0.98 0.20 117.51 121.74 2keq h ILE 87 Ca -0.24 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 2keq h ILE 87 Cb 1.99 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 2keq h ILE 87 CO 0.14 0.25 0.13 0.15 0.00 0.00 0.00 178.15 178.82 2keq h PHE 88 N 1.24 1.10 0.05 1.37 3.57 -1.51 -0.49 116.94 122.27 2keq h PHE 88 Ca 0.33 -0.14 -0.28 0.00 3.53 0.00 0.00 57.97 61.42 2keq h PHE 88 Cb -0.09 -0.31 0.02 0.00 2.79 0.00 0.00 35.95 38.37 2keq h PHE 88 CO 0.00 0.92 -1.12 0.93 -2.23 0.00 0.00 178.31 176.81 2keq h GLU 89 N 0.99 0.63 0.00 1.11 5.08 -1.51 -3.26 114.58 117.63 2keq h GLU 89 Ca 0.20 -0.75 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2keq h GLU 89 Cb 0.39 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2keq h GLU 89 CO 0.01 1.32 0.00 0.54 -1.00 0.00 0.00 179.01 179.88 2keq n ARG 90 N -3.81 0.17 -2.43 2.33 5.12 0.01 -4.93 116.66 113.11 2keq n ARG 90 Ca -0.12 0.18 -0.18 0.00 -1.93 0.00 0.00 57.85 55.81 2keq n ARG 90 Cb 0.92 -1.71 -0.01 0.00 -1.16 0.00 0.00 32.46 30.50 2keq n ARG 90 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2keq n GLU 91 N -2.00 -1.94 -2.44 5.56 1.02 -0.22 -4.97 120.64 115.64 2keq n GLU 91 Ca 0.05 0.86 -0.39 0.00 -0.02 0.00 0.00 57.16 57.67 2keq n GLU 91 Cb 0.36 -5.51 -0.04 0.00 -0.02 0.00 0.00 31.44 26.24 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 -5.90 4.33 -0.03 -4.62 1.43 -1.04 -4.77 118.68 108.07 2keq s LEU 92 Ca 0.01 2.23 -0.18 0.00 -1.03 0.00 0.00 54.13 55.15 2keq s LEU 92 Cb -0.00 -3.91 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 2keq s LEU 92 CO 0.01 -0.40 0.51 -1.81 0.23 0.00 0.00 176.35 174.89 2keq s ASP 93 N -1.15 6.87 0.60 2.29 1.01 -1.26 -4.30 116.67 120.73 2keq s ASP 93 Ca 0.52 1.03 -0.18 0.00 0.71 0.00 0.00 52.55 54.63 2keq s ASP 93 Cb -0.29 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2keq s ASP 93 CO 0.36 0.15 1.18 -0.76 0.21 0.00 0.00 175.17 176.31 2keq s LEU 94 N -0.28 3.63 1.01 1.23 1.02 -1.26 -1.37 118.68 122.66 2keq s LEU 94 Ca 0.28 2.31 -0.14 0.00 0.02 0.00 0.00 54.13 56.59 2keq s LEU 94 Cb -0.17 -4.59 0.19 0.00 0.02 0.00 0.00 46.19 41.64 2keq s LEU 94 CO 0.15 -1.57 1.13 -0.32 0.02 0.00 0.00 176.35 175.76 2keq s MET 95 N -3.43 0.32 0.14 1.70 1.75 -0.42 -4.42 119.30 114.94 2keq s MET 95 Ca 0.75 0.21 0.01 0.00 -1.25 0.00 0.00 55.69 55.41 2keq s MET 95 Cb -0.28 -1.75 -0.04 0.00 2.84 0.00 0.00 34.83 35.60 2keq s MET 95 CO 0.33 -2.74 0.01 1.03 -0.65 0.00 0.00 175.02 173.01 2keq s ARG 96 N -5.26 0.99 -0.05 4.11 1.81 -1.26 -4.50 118.95 114.78 2keq s ARG 96 Ca 0.67 -1.46 0.14 0.00 -1.72 0.00 0.00 55.73 53.35 2keq s ARG 96 Cb -0.14 -0.05 -0.21 0.00 -0.45 0.00 0.00 34.95 34.11 2keq s ARG 96 CO 0.55 -0.17 0.24 1.33 -0.68 0.00 0.00 175.30 176.58 2keq n VAL 97 N -0.15 0.25 -1.03 3.52 0.24 -0.45 -4.65 118.33 116.06 2keq n VAL 97 Ca -0.07 -0.40 0.05 0.00 -2.04 0.00 0.00 64.34 61.88 2keq n VAL 97 Cb 0.63 -0.05 0.29 0.00 -1.47 0.00 0.00 33.84 33.24 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 -2.14 4.28 -2.37 -1.34 8.00 -1.26 -4.91 116.55 116.82 2keq n ASP 98 Ca -0.08 -3.11 -0.17 0.00 0.71 0.00 0.00 54.79 52.14 2keq n ASP 98 Cb 0.53 -0.62 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 2keq n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2keq n ASN 99 N -0.29 -4.96 -4.71 -2.24 3.02 -1.26 -5.00 115.26 99.83 2keq n ASN 99 Ca 0.27 0.10 -0.31 0.00 -0.03 0.00 0.00 54.58 54.61 2keq n ASN 99 Cb 1.05 -4.17 0.14 0.00 -0.61 0.00 0.00 39.78 36.18 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 -5.75 2.96 0.41 3.41 1.43 -1.26 -5.00 118.68 114.87 2keq s LEU 100 Ca 0.00 2.11 -0.25 0.00 -1.03 0.00 0.00 54.13 54.96 2keq s LEU 100 Cb 0.00 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.58 2keq s LEU 100 CO 0.00 -2.70 1.21 -2.16 0.23 0.00 0.00 176.35 172.93 2keq s PRO 101 N -4.63 3.98 -0.24 1.29 0.04 -1.26 -4.82 135.00 129.37 2keq s PRO 101 Ca 0.66 1.92 -0.20 0.00 0.04 0.00 0.00 61.00 63.43 2keq s PRO 101 Cb -0.22 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 2keq s PRO 101 CO 0.56 -0.41 0.61 -0.80 0.04 0.00 0.00 177.00 177.00 2keq s ASN 102 N -1.05 6.59 -0.06 6.66 -0.87 -1.26 -4.98 114.94 119.97 2keq s ASN 102 Ca 0.58 0.72 -0.03 0.00 -1.57 0.00 0.00 52.86 52.56 2keq s ASN 102 Cb -0.33 -2.33 0.04 0.00 -0.02 0.00 0.00 41.25 38.61 2keq s ASN 102 CO 0.41 -0.32 0.12 0.27 -2.57 0.00 0.00 177.10 175.01 2keq s ILE 103 N 2.26 -0.17 1.08 0.60 -4.36 -1.26 -4.96 121.20 114.38 2keq s ILE 103 Ca 0.26 0.34 -0.13 0.00 -0.26 0.00 0.00 60.65 60.86 2keq s ILE 103 Cb -0.16 -0.23 0.23 0.00 1.25 0.00 0.00 42.46 43.56 2keq s ILE 103 CO 0.09 0.14 1.07 -1.59 0.24 0.00 0.00 174.94 174.89 2keq s LYS 104 N 1.98 -0.20 0.02 0.37 0.00 -1.26 -4.33 119.74 116.32 2keq s LYS 104 Ca 0.01 0.53 -0.30 0.00 0.00 0.00 0.00 55.97 56.20 2keq s LYS 104 Cb -0.12 -1.66 -0.08 0.00 0.00 0.00 0.00 37.83 35.96 2keq s LYS 104 CO -0.05 -3.16 1.90 0.42 0.00 0.00 0.00 175.35 174.46 2keq s ILE 105 N -2.82 3.12 0.03 3.79 1.01 -1.26 -4.10 121.20 120.98 2keq s ILE 105 Ca 0.67 0.16 -0.22 0.00 0.00 0.00 0.00 60.65 61.26 2keq s ILE 105 Cb -0.20 -3.10 -0.15 0.00 0.01 0.00 0.00 42.46 39.02 2keq s ILE 105 CO 0.60 -0.01 1.36 0.00 0.00 0.00 0.00 174.94 176.88 2keq h ALA 106 N 10.35 0.17 -2.44 9.38 0.00 -1.26 -3.47 119.26 131.99 2keq h ALA 106 Ca -0.48 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.06 2keq h ALA 106 Cb 1.23 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.79 2keq h ALA 106 CO 0.94 -0.02 -0.15 0.95 0.00 0.00 0.00 179.25 180.98 2keq s THR 107 N -4.45 0.05 0.00 0.00 -4.23 -1.23 -5.01 115.64 100.77 2keq s THR 107 Ca -0.14 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.98 2keq s THR 107 Cb 0.05 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 73.07 2keq s THR 107 CO 0.73 -0.23 -0.10 -0.60 -0.54 0.00 0.00 174.62 173.88 2keq s ARG 108 N -1.77 0.76 -0.17 3.99 3.00 -1.26 -3.26 118.95 120.24 2keq s ARG 108 Ca -0.10 -0.44 -0.12 0.00 -1.00 0.00 0.00 55.73 54.07 2keq s ARG 108 Cb -0.03 -0.73 0.05 0.00 0.00 0.00 0.00 34.95 34.25 2keq s ARG 108 CO 0.02 0.19 0.42 0.15 0.00 0.00 0.00 175.30 176.09 2keq s LYS 109 N -0.49 0.44 0.23 5.12 -0.14 -1.24 -5.01 119.74 118.66 2keq s LYS 109 Ca 0.02 0.71 -0.30 0.00 -1.36 0.00 0.00 55.97 55.03 2keq s LYS 109 Cb -0.05 0.10 -0.10 0.00 -1.68 0.00 0.00 37.83 36.10 2keq s LYS 109 CO -0.00 -0.11 1.47 -0.47 -0.76 0.00 0.00 175.35 175.48 2keq s TYR 110 N 0.87 3.03 -0.25 3.18 5.04 -1.26 -0.69 117.35 127.26 2keq s TYR 110 Ca -0.05 0.93 -0.02 0.00 -2.44 0.00 0.00 57.07 55.49 2keq s TYR 110 Cb -0.06 -3.85 -0.15 0.00 0.35 0.00 0.00 41.96 38.26 2keq s TYR 110 CO -0.07 -2.84 -0.25 1.28 -1.34 0.00 0.00 175.55 172.33 2keq n LEU 111 N 2.72 2.69 0.00 6.97 4.77 -0.66 -4.87 117.00 128.61 2keq n LEU 111 Ca 0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2keq n LEU 111 Cb 0.40 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2keq n LEU 111 CO 0.61 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 2keq n GLY 112 N 2.06 0.58 2.94 -0.72 0.00 -1.20 -5.05 105.19 103.80 2keq n GLY 112 Ca -0.46 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 2keq n GLY 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2keq s LYS 113 N -2.00 1.28 0.20 1.61 2.20 -1.26 -0.75 119.74 121.01 2keq s LYS 113 Ca 0.00 -1.65 0.09 0.00 -0.36 0.00 0.00 55.97 54.05 2keq s LYS 113 Cb 0.00 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.40 2keq s LYS 113 CO 0.00 -0.95 -0.11 -0.65 -0.36 0.00 0.00 175.35 173.29 2keq s GLN 114 N 1.10 2.01 -0.10 4.03 -0.21 -1.16 -4.83 119.66 120.49 2keq s GLN 114 Ca 0.10 -1.34 -0.29 0.00 0.02 0.00 0.00 55.36 53.86 2keq s GLN 114 Cb -0.19 -2.11 -0.06 0.00 1.00 0.00 0.00 33.01 31.66 2keq s GLN 114 CO -0.13 0.42 1.86 1.21 -2.12 0.00 0.00 175.29 176.53 2keq s ASN 115 N -2.93 6.29 0.13 5.90 3.04 -1.25 -3.06 114.94 123.05 2keq s ASN 115 Ca 0.25 2.15 0.10 0.00 0.04 0.00 0.00 52.86 55.41 2keq s ASN 115 Cb -0.08 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.06 2keq s ASN 115 CO 0.15 -1.25 -0.24 0.68 -3.04 0.00 0.00 177.10 173.40 2keq s VAL 116 N 5.30 2.05 0.05 -5.21 -7.23 -1.26 -3.95 120.40 110.14 2keq s VAL 116 Ca 0.83 -1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2keq s VAL 116 Cb -0.34 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 2keq s VAL 116 CO 0.35 -0.02 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.77 2keq s TYR 117 N -1.25 0.49 -0.26 2.82 2.02 -0.18 -2.67 117.35 118.31 2keq s TYR 117 Ca 0.12 -0.84 -0.10 0.00 -0.37 0.00 0.00 57.07 55.88 2keq s TYR 117 Cb -0.09 -0.34 0.11 0.00 -0.40 0.00 0.00 41.96 41.24 2keq s TYR 117 CO 0.06 -0.28 0.58 0.34 -1.57 0.00 0.00 175.55 174.68 2keq s ASP 118 N -2.38 -0.86 0.30 2.29 2.15 -0.57 -1.30 116.67 116.31 2keq s ASP 118 Ca -0.01 1.38 -0.26 0.00 0.43 0.00 0.00 52.55 54.09 2keq s ASP 118 Cb 0.01 1.90 -0.10 0.00 -0.30 0.00 0.00 42.92 44.43 2keq s ASP 118 CO -0.06 -0.22 0.92 0.27 -0.17 0.00 0.00 175.17 175.91 2keq s ILE 119 N 2.64 4.22 0.19 4.11 -4.36 -1.26 -0.39 121.20 126.35 2keq s ILE 119 Ca -0.05 1.82 -0.01 0.00 -0.26 0.00 0.00 60.65 62.14 2keq s ILE 119 Cb -0.11 -4.04 -0.04 0.00 1.25 0.00 0.00 42.46 39.51 2keq s ILE 119 CO -0.17 0.20 0.39 -0.83 0.24 0.00 0.00 174.94 174.77 2keq s GLY 120 N -1.55 1.85 -0.06 6.27 0.00 0.21 -4.89 107.32 109.14 2keq s GLY 120 Ca 0.48 -0.80 -0.10 0.00 0.00 0.00 0.00 44.72 44.31 2keq s GLY 120 CO 0.25 -0.75 0.25 0.14 0.00 0.00 0.00 173.10 172.98 2keq s VAL 121 N -1.84 0.02 -0.19 1.40 1.01 -1.26 -0.97 120.40 118.56 2keq s VAL 121 Ca 0.39 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.99 2keq s VAL 121 Cb -0.11 -0.42 -0.20 0.00 0.00 0.00 0.00 36.38 35.64 2keq s VAL 121 CO 0.29 -0.11 0.19 1.21 0.00 0.00 0.00 175.10 176.68 2keq n GLU 122 N 2.38 0.62 -0.18 2.72 2.13 -1.26 -4.39 120.64 122.65 2keq n GLU 122 Ca -0.16 0.47 -0.10 0.00 0.66 0.00 0.00 57.16 58.03 2keq n GLU 122 Cb 0.57 -1.71 0.01 0.00 0.27 0.00 0.00 31.44 30.58 2keq n GLU 122 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2keq h ARG 123 N -0.72 0.95 -2.05 5.31 2.47 -1.99 -3.44 114.38 114.91 2keq h ARG 123 Ca -0.40 -0.32 0.04 0.00 -1.26 0.00 0.00 59.98 58.04 2keq h ARG 123 Cb 1.52 -0.08 -0.21 0.00 -1.65 0.00 0.00 29.97 29.55 2keq h ARG 123 CO -0.15 0.98 -0.10 0.34 0.56 0.00 0.00 179.97 181.59 2keq s ASP 124 N -6.48 -1.01 -1.05 7.04 -1.08 -1.26 -5.08 116.67 107.75 2keq s ASP 124 Ca -0.12 1.50 -0.07 0.00 -0.52 0.00 0.00 52.55 53.34 2keq s ASP 124 Cb 0.12 1.91 -0.06 0.00 -1.46 0.00 0.00 42.92 43.43 2keq s ASP 124 CO 0.84 -0.23 2.26 1.41 0.52 0.00 0.00 175.17 179.97 2keq n HIS 125 N 5.05 1.61 -3.95 -5.34 8.25 -1.26 -4.73 115.22 114.84 2keq n HIS 125 Ca -0.15 -2.18 -0.09 0.00 -0.26 0.00 0.00 57.72 55.05 2keq n HIS 125 Cb 0.52 -1.83 -0.04 0.00 1.12 0.00 0.00 29.99 29.76 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 3.25 -0.03 -0.12 0.41 4.22 -1.26 -1.23 114.94 120.18 2keq s ASN 126 Ca 0.46 -0.92 -0.30 0.00 -2.14 0.00 0.00 52.86 49.96 2keq s ASN 126 Cb 0.12 0.66 0.11 0.00 1.28 0.00 0.00 41.25 43.42 2keq s ASN 126 CO -0.03 -1.27 0.90 0.72 -2.04 0.00 0.00 177.10 175.38 2keq s PHE 127 N -3.73 -0.45 0.20 1.54 -0.12 -1.08 -4.92 117.98 109.43 2keq s PHE 127 Ca 0.20 0.73 -0.23 0.00 -0.05 0.00 0.00 56.93 57.57 2keq s PHE 127 Cb -0.02 0.45 -0.08 0.00 -0.63 0.00 0.00 43.02 42.73 2keq s PHE 127 CO 0.10 -0.43 0.77 0.00 -0.05 0.00 0.00 175.22 175.60 2keq s ALA 128 N -1.31 3.41 0.44 1.99 0.00 0.50 -2.94 121.76 123.86 2keq s ALA 128 Ca -0.04 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.30 2keq s ALA 128 Cb -0.00 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.21 2keq s ALA 128 CO 0.03 0.30 0.54 -0.51 0.00 0.00 0.00 175.76 176.11 2keq s LEU 129 N -1.55 3.50 0.62 0.00 1.43 -0.28 -3.46 118.68 118.94 2keq s LEU 129 Ca 0.40 -0.58 0.32 0.00 -1.03 0.00 0.00 54.13 53.24 2keq s LEU 129 Cb -0.20 -2.34 1.75 0.00 0.03 0.00 0.00 46.19 45.43 2keq s LEU 129 CO 0.24 -0.81 1.98 0.07 0.23 0.00 0.00 176.35 178.06 2keq h LYS 130 N 0.70 0.00 -0.59 1.70 -0.00 -1.87 -1.89 116.57 114.62 2keq h LYS 130 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.26 2keq h LYS 130 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.51 2keq h LYS 130 CO 0.48 0.00 0.00 0.09 -0.00 0.00 0.00 179.45 180.02 2keq n ASN 131 N -2.84 3.81 -0.34 7.07 5.03 -1.26 -4.95 115.26 121.77 2keq n ASN 131 Ca -0.02 -2.11 -0.04 0.00 0.87 0.00 0.00 54.58 53.27 2keq n ASN 131 Cb 0.28 -0.43 -0.02 0.00 -1.02 0.00 0.00 39.78 38.59 2keq n ASN 131 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2keq n GLY 132 N 1.16 0.62 3.92 7.41 0.00 -0.71 -4.90 105.19 112.69 2keq n GLY 132 Ca 0.21 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.16 3.32 -0.30 1.61 0.40 -1.25 -1.34 117.98 118.25 2keq s PHE 133 Ca 0.00 0.63 -0.01 0.00 -0.60 0.00 0.00 56.93 56.94 2keq s PHE 133 Cb 0.00 -2.59 0.10 0.00 0.51 0.00 0.00 43.02 41.04 2keq s PHE 133 CO 0.00 -0.65 0.10 0.42 0.70 0.00 0.00 175.22 175.79 2keq s ILE 134 N -2.88 0.75 0.35 0.64 1.09 -1.26 -1.12 121.20 118.76 2keq s ILE 134 Ca 0.52 -1.26 -0.17 0.00 -1.10 0.00 0.00 60.65 58.63 2keq s ILE 134 Cb -0.10 -1.54 -0.10 0.00 -1.06 0.00 0.00 42.46 39.66 2keq s ILE 134 CO 0.44 -0.64 0.80 0.00 -0.10 0.00 0.00 174.94 175.44 2keq s ALA 135 N 1.69 3.24 -0.01 9.38 0.00 -1.15 -1.53 121.76 133.38 2keq s ALA 135 Ca 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 2keq s ALA 135 Cb -0.17 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2keq s ALA 135 CO -0.25 0.27 0.03 0.45 0.00 0.00 0.00 175.76 176.25 2keq s SER 136 N -2.21 -0.01 0.00 0.00 0.15 -0.33 -2.62 113.70 108.68 2keq s SER 136 Ca 0.56 0.00 0.27 0.00 0.70 0.00 0.00 55.95 57.48 2keq s SER 136 Cb -0.10 0.07 0.76 0.00 -1.71 0.00 0.00 66.02 65.04 2keq s SER 136 CO 0.16 -0.04 1.58 -3.20 1.20 0.00 0.00 173.24 172.94