#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 0.79 0.33 -0.02 0.00 -1.26 -4.75 107.32 102.41 2keq s GLY 0 Ca 0.00 -1.17 -0.18 0.00 0.00 0.00 0.00 44.72 43.37 2keq s GLY 0 CO 0.00 -1.02 0.82 0.00 0.00 0.00 0.00 173.10 172.90 2keq s ALA 1 N -4.03 -0.99 0.08 3.20 0.00 -1.26 -4.69 121.76 114.06 2keq s ALA 1 Ca 0.24 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.71 2keq s ALA 1 Cb 0.04 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2keq s ALA 1 CO 0.04 -1.01 -0.19 -0.51 0.00 0.00 0.00 175.76 174.09 2keq s LEU 2 N -3.08 2.60 0.93 0.00 1.43 -0.22 -2.46 118.68 117.87 2keq s LEU 2 Ca 0.15 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 2keq s LEU 2 Cb -0.05 -1.49 0.15 0.00 0.03 0.00 0.00 46.19 44.83 2keq s LEU 2 CO 0.09 0.22 1.12 -0.55 0.23 0.00 0.00 176.35 177.46 2keq s SER 3 N -1.76 2.94 0.23 2.29 0.15 -1.05 -0.63 113.70 115.87 2keq s SER 3 Ca 0.16 1.97 -0.06 0.00 0.70 0.00 0.00 55.95 58.72 2keq s SER 3 Cb -0.10 -2.49 0.39 0.00 -1.71 0.00 0.00 66.02 62.11 2keq s SER 3 CO 0.07 -3.05 1.74 0.22 1.20 0.00 0.00 173.24 173.41 2keq h TYR 4 N -1.83 0.48 -0.20 3.44 5.03 -1.94 -2.22 116.97 119.73 2keq h TYR 4 Ca -0.46 0.03 0.06 0.00 2.58 0.00 0.00 58.73 60.94 2keq h TYR 4 Cb 1.27 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 2keq h TYR 4 CO 0.47 0.08 0.23 0.93 -1.32 0.00 0.00 178.16 178.56 2keq h GLU 5 N 0.44 0.00 -5.95 1.82 4.39 -1.92 -3.32 114.58 110.04 2keq h GLU 5 Ca 0.38 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.56 2keq h GLU 5 Cb 0.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2keq h GLU 5 CO -0.37 0.00 1.43 0.99 -1.16 0.00 0.00 179.01 179.90 2keq s THR 6 N -4.62 3.25 0.07 1.13 2.01 -0.83 -4.88 115.64 111.76 2keq s THR 6 Ca -0.05 0.19 -0.24 0.00 0.31 0.00 0.00 61.69 61.90 2keq s THR 6 Cb 0.15 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 2keq s THR 6 CO 0.54 -0.43 0.74 -1.61 -0.69 0.00 0.00 174.62 173.18 2keq s GLU 7 N 6.97 4.48 -0.14 4.92 2.02 -1.26 -1.34 118.70 134.35 2keq s GLU 7 Ca 0.83 1.04 -0.03 0.00 0.02 0.00 0.00 54.97 56.83 2keq s GLU 7 Cb -0.19 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 2keq s GLU 7 CO 0.27 0.37 -0.04 0.42 0.02 0.00 0.00 175.26 176.30 2keq s ILE 8 N -0.37 3.84 -0.04 -1.63 -1.09 -0.03 -2.08 121.20 119.82 2keq s ILE 8 Ca 0.37 -0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 58.10 2keq s ILE 8 Cb -0.21 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 2keq s ILE 8 CO 0.23 0.52 1.48 -0.22 -1.23 0.00 0.00 174.94 175.72 2keq s LEU 9 N 0.12 4.30 0.14 2.97 0.20 -1.23 -2.10 118.68 123.08 2keq s LEU 9 Ca -0.01 2.12 0.11 0.00 0.69 0.00 0.00 54.13 57.03 2keq s LEU 9 Cb -0.14 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.03 2keq s LEU 9 CO 0.03 -0.80 -0.25 0.42 -0.29 0.00 0.00 176.35 175.45 2keq s THR 10 N 3.10 2.22 0.11 3.68 -4.23 -0.59 -4.24 115.64 115.69 2keq s THR 10 Ca 0.66 -1.81 -0.08 0.00 -1.18 0.00 0.00 61.69 59.28 2keq s THR 10 Cb -0.31 -1.98 -0.20 0.00 1.34 0.00 0.00 72.50 71.35 2keq s THR 10 CO 0.26 0.01 1.27 0.58 -0.54 0.00 0.00 174.62 176.20 2keq h VAL 11 N 3.71 1.35 0.00 2.29 2.07 -1.87 -2.18 116.25 121.62 2keq h VAL 11 Ca -0.49 -2.35 -0.05 0.00 0.82 0.00 0.00 66.70 64.62 2keq h VAL 11 Cb 1.18 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 2keq h VAL 11 CO 0.42 0.71 -0.25 -0.33 0.02 0.00 0.00 177.57 178.13 2keq h GLU 12 N 0.30 0.00 0.00 1.57 4.39 -1.94 -3.42 114.58 115.48 2keq h GLU 12 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2keq h GLU 12 Cb 1.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 2keq h GLU 12 CO 0.18 0.25 0.00 0.66 -1.16 0.00 0.00 179.01 178.94 2keq n TYR 13 N -4.01 -0.47 0.00 4.33 4.01 -1.25 -5.09 117.16 114.69 2keq n TYR 13 Ca -0.02 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2keq n TYR 13 Cb 0.32 0.54 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 1.29 0.81 3.58 2.72 0.00 -0.82 -4.97 105.19 107.81 2keq n GLY 14 Ca 0.00 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 2keq n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2keq n LEU 15 N 0.00 2.86 -4.07 0.99 4.77 -1.26 -1.54 117.00 118.76 2keq n LEU 15 Ca 0.00 -0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 2keq n LEU 15 Cb 0.00 -1.57 -0.12 0.00 -2.33 0.00 0.00 43.42 39.41 2keq n LEU 15 CO 0.00 -1.06 -0.41 -0.76 -1.33 0.00 0.00 177.39 173.83 2keq s LEU 16 N 9.98 2.25 0.14 2.23 1.43 -0.89 -4.91 118.68 128.91 2keq s LEU 16 Ca 1.00 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 53.24 2keq s LEU 16 Cb -0.27 -0.20 -0.10 0.00 0.03 0.00 0.00 46.19 45.65 2keq s LEU 16 CO 0.31 -0.19 1.61 -2.16 0.23 0.00 0.00 176.35 176.16 2keq s PRO 17 N -1.56 4.20 0.37 1.29 0.04 -1.26 -0.85 135.00 137.24 2keq s PRO 17 Ca -0.09 2.37 0.08 0.00 0.04 0.00 0.00 61.00 63.40 2keq s PRO 17 Cb -0.10 -3.29 0.82 0.00 0.04 0.00 0.00 34.50 31.97 2keq s PRO 17 CO 0.01 -0.66 1.94 0.97 0.04 0.00 0.00 177.00 179.30 2keq h ILE 18 N 4.25 0.95 -0.29 0.56 2.10 -1.31 -2.65 117.51 121.13 2keq h ILE 18 Ca -0.43 -0.23 -0.05 0.00 1.08 0.00 0.00 64.86 65.23 2keq h ILE 18 Cb 1.20 0.22 -0.02 0.00 -1.09 0.00 0.00 36.82 37.14 2keq h ILE 18 CO 0.92 0.12 -0.05 1.23 -1.08 0.00 0.00 178.15 179.30 2keq h GLY 19 N 0.67 0.50 1.56 8.18 0.00 -1.78 -1.47 103.07 110.73 2keq h GLY 19 Ca 0.34 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 2keq h GLY 19 CO -0.12 0.28 -0.40 1.70 0.00 0.00 0.00 176.54 178.00 2keq h LYS 20 N 0.44 0.49 -0.37 4.80 3.64 -1.78 -0.38 116.57 123.42 2keq h LYS 20 Ca 0.09 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 2keq h LYS 20 Cb 0.36 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2keq h LYS 20 CO 0.02 0.81 -0.31 0.82 -2.27 0.00 0.00 179.45 178.51 2keq h ILE 21 N 0.41 1.28 0.19 2.00 2.04 -1.34 -2.58 117.51 119.51 2keq h ILE 21 Ca 0.04 -1.48 -0.32 0.00 1.00 0.00 0.00 64.86 64.10 2keq h ILE 21 Cb 0.88 1.40 0.03 0.00 -0.74 0.00 0.00 36.82 38.40 2keq h ILE 21 CO 0.07 0.49 -1.37 0.58 0.00 0.00 0.00 178.15 177.93 2keq h VAL 22 N 0.66 1.29 0.00 1.67 2.07 -1.24 0.11 116.25 120.81 2keq h VAL 22 Ca 0.07 -2.61 -0.05 0.00 0.82 0.00 0.00 66.70 64.93 2keq h VAL 22 Cb 0.89 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 2keq h VAL 22 CO 0.08 0.79 -0.24 1.05 0.02 0.00 0.00 177.57 179.27 2keq h GLU 23 N 0.20 0.00 -0.14 1.57 4.11 -1.13 -3.01 114.58 116.18 2keq h GLU 23 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2keq h GLU 23 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2keq h GLU 23 CO 0.26 0.24 0.00 1.63 0.07 0.00 0.00 179.01 181.21 2keq n LYS 24 N -3.34 1.46 -3.95 1.06 4.76 -0.97 -5.02 118.16 112.15 2keq n LYS 24 Ca 0.01 -1.50 -0.28 0.00 -2.87 0.00 0.00 58.31 53.67 2keq n LYS 24 Cb 0.47 -1.23 -0.00 0.00 -1.84 0.00 0.00 35.03 32.43 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 0.54 -4.08 -2.36 1.97 5.12 -0.13 -4.91 116.66 112.82 2keq n ARG 25 Ca 0.08 0.48 -0.42 0.00 -1.93 0.00 0.00 57.85 56.06 2keq n ARG 25 Cb 0.33 -4.99 -0.03 0.00 -1.16 0.00 0.00 32.46 26.61 2keq n ARG 25 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2keq s ILE 26 N -3.62 3.95 -0.43 0.55 1.01 0.19 -4.99 121.20 117.86 2keq s ILE 26 Ca 0.30 1.36 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 2keq s ILE 26 Cb -0.16 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.46 2keq s ILE 26 CO 0.87 0.05 1.20 -1.61 0.00 0.00 0.00 174.94 175.45 2keq s GLU 27 N 1.66 3.75 0.10 2.79 2.02 -1.26 -4.92 118.70 122.84 2keq s GLU 27 Ca 0.60 0.75 0.01 0.00 0.02 0.00 0.00 54.97 56.35 2keq s GLU 27 Cb -0.29 -3.91 -0.00 0.00 0.10 0.00 0.00 34.13 30.02 2keq s GLU 27 CO 0.27 -1.34 0.05 0.00 0.02 0.00 0.00 175.26 174.25 2keq s THR 29 N -2.06 1.94 0.10 0.00 2.01 -1.26 -1.19 115.64 115.17 2keq s THR 29 Ca 0.07 -2.07 -0.01 0.00 0.31 0.00 0.00 61.69 59.98 2keq s THR 29 Cb 0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2keq s THR 29 CO 0.05 -0.38 0.03 0.68 -0.69 0.00 0.00 174.62 174.31 2keq s VAL 30 N -2.32 0.14 -0.10 3.82 -7.23 -0.01 -3.37 120.40 111.33 2keq s VAL 30 Ca 0.20 -1.86 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 2keq s VAL 30 Cb -0.05 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 2keq s VAL 30 CO 0.08 -0.64 0.05 -0.31 -0.31 0.00 0.00 175.10 173.97 2keq s TYR 31 N -4.00 3.32 -0.03 2.82 1.51 -1.26 -1.63 117.35 118.08 2keq s TYR 31 Ca 0.18 0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 56.26 2keq s TYR 31 Cb 0.08 -1.84 0.07 0.00 -0.11 0.00 0.00 41.96 40.15 2keq s TYR 31 CO -0.02 0.57 0.65 0.45 -1.11 0.00 0.00 175.55 176.08 2keq s SER 32 N -0.93 -0.63 0.33 2.29 0.15 -0.68 -1.20 113.70 113.03 2keq s SER 32 Ca 0.14 0.62 -0.19 0.00 0.70 0.00 0.00 55.95 57.22 2keq s SER 32 Cb -0.12 0.53 -0.09 0.00 -1.71 0.00 0.00 66.02 64.63 2keq s SER 32 CO 0.03 -0.63 0.82 0.68 1.20 0.00 0.00 173.24 175.33 2keq s VAL 33 N -1.43 4.51 0.92 4.45 -7.23 -1.26 -0.50 120.40 119.86 2keq s VAL 33 Ca -0.10 1.28 -0.12 0.00 -1.81 0.00 0.00 61.98 61.24 2keq s VAL 33 Cb -0.00 -3.71 0.20 0.00 0.56 0.00 0.00 36.38 33.43 2keq s VAL 33 CO 0.08 -0.10 1.25 -0.67 -0.31 0.00 0.00 175.10 175.35 2keq n ASP 34 N -0.09 0.50 0.33 4.85 2.03 -0.34 -4.91 116.55 118.91 2keq n ASP 34 Ca 0.03 -1.70 0.22 0.00 0.52 0.00 0.00 54.79 53.86 2keq n ASP 34 Cb 0.53 -0.92 1.15 0.00 -0.72 0.00 0.00 41.12 41.16 2keq n ASP 34 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2keq h ASN 35 N -1.42 0.00 -0.04 1.67 2.35 -1.99 -1.99 115.58 114.15 2keq h ASN 35 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2keq h ASN 35 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2keq h ASN 35 CO 0.32 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.70 2keq n ASN 36 N -3.18 1.80 -0.41 5.81 3.02 -1.26 -4.96 115.26 116.09 2keq n ASN 36 Ca -0.03 -1.61 -0.04 0.00 -0.03 0.00 0.00 54.58 52.87 2keq n ASN 36 Cb 0.09 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 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 1.21 0.37 3.41 7.41 0.00 -0.75 -5.04 105.19 111.79 2keq n GLY 37 Ca 0.18 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 4.93 0.08 1.61 0.01 -1.26 -4.88 114.94 112.56 2keq s ASN 38 Ca 0.00 -0.25 -0.31 0.00 -0.71 0.00 0.00 52.86 51.59 2keq s ASN 38 Cb 0.00 -1.88 -0.08 0.00 0.41 0.00 0.00 41.25 39.70 2keq s ASN 38 CO 0.00 -0.03 1.61 -0.63 -1.51 0.00 0.00 177.10 176.54 2keq s ILE 39 N 1.56 3.05 0.35 0.60 1.01 -1.26 -1.20 121.20 125.32 2keq s ILE 39 Ca 0.06 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.30 2keq s ILE 39 Cb -0.15 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 2keq s ILE 39 CO 0.02 0.01 0.09 -0.72 0.00 0.00 0.00 174.94 174.33 2keq s TYR 40 N 2.34 1.86 0.00 3.97 -0.85 0.34 -4.97 117.35 120.05 2keq s TYR 40 Ca 0.72 -1.09 0.07 0.00 -0.52 0.00 0.00 57.07 56.24 2keq s TYR 40 Cb -0.39 -1.22 -0.03 0.00 0.38 0.00 0.00 41.96 40.70 2keq s TYR 40 CO 0.31 -0.12 -0.20 0.95 -1.52 0.00 0.00 175.55 174.97 2keq s THR 41 N -3.29 2.58 -0.07 -3.49 -4.23 -1.26 -1.69 115.64 104.18 2keq s THR 41 Ca 0.31 -1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 59.65 2keq s THR 41 Cb 0.06 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.91 2keq s THR 41 CO 0.15 0.47 0.23 0.00 -0.54 0.00 0.00 174.62 174.93 2keq s GLN 42 N -1.02 0.36 0.60 3.99 -2.07 -0.65 -4.97 119.66 115.90 2keq s GLN 42 Ca 0.12 0.16 -0.16 0.00 -1.82 0.00 0.00 55.36 53.66 2keq s GLN 42 Cb -0.10 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 31.95 2keq s GLN 42 CO 0.02 -0.06 1.07 -1.25 -1.32 0.00 0.00 175.29 173.74 2keq s PRO 43 N -0.27 3.26 0.38 9.60 0.04 -1.26 -0.83 135.00 145.92 2keq s PRO 43 Ca -0.04 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 61.97 2keq s PRO 43 Cb -0.03 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 2keq s PRO 43 CO 0.01 -0.87 1.42 0.08 0.04 0.00 0.00 177.00 177.68 2keq s VAL 44 N -2.41 2.25 -0.15 -0.36 1.01 -0.33 -4.83 120.40 115.58 2keq s VAL 44 Ca 0.64 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2keq s VAL 44 Cb -0.17 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 2keq s VAL 44 CO 0.37 0.05 -0.13 0.00 0.00 0.00 0.00 175.10 175.39 2keq n ALA 45 N 0.37 1.72 -2.18 5.51 0.00 -0.50 -4.88 120.51 120.55 2keq n ALA 45 Ca 0.02 -0.62 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 2keq n ALA 45 Cb 0.41 0.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.29 0.96 -0.04 0.00 -1.52 -0.49 -4.98 119.66 111.30 2keq s GLN 46 Ca -0.20 -1.45 0.01 0.00 -1.95 0.00 0.00 55.36 51.78 2keq s GLN 46 Cb 0.05 0.05 0.02 0.00 -0.22 0.00 0.00 33.01 32.91 2keq s GLN 46 CO 0.33 -0.20 -0.06 -1.58 -0.25 0.00 0.00 175.29 173.53 2keq s TRP 47 N -3.89 0.79 -0.07 0.91 0.51 -1.26 -1.19 118.94 114.74 2keq s TRP 47 Ca 0.22 -0.22 0.03 0.00 -2.12 0.00 0.00 56.10 54.01 2keq s TRP 47 Cb 0.07 -0.66 0.01 0.00 -0.81 0.00 0.00 33.47 32.08 2keq s TRP 47 CO 0.01 -0.17 -0.14 -1.01 -0.51 0.00 0.00 176.95 175.13 2keq s HIS 48 N 0.71 1.63 -0.01 -1.98 3.76 0.41 -4.98 115.29 114.83 2keq s HIS 48 Ca -0.10 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 2keq s HIS 48 Cb -0.13 -1.16 0.01 0.00 1.11 0.00 0.00 32.58 32.41 2keq s HIS 48 CO 0.01 -0.28 0.00 0.16 -0.85 0.00 0.00 174.74 173.78 2keq s ASP 49 N 0.53 0.11 -0.09 1.40 -4.77 -1.26 -0.42 116.67 112.17 2keq s ASP 49 Ca -0.14 -0.00 0.06 0.00 -3.30 0.00 0.00 52.55 49.17 2keq s ASP 49 Cb -0.15 -0.04 -0.10 0.00 -1.09 0.00 0.00 42.92 41.53 2keq s ASP 49 CO 0.04 -0.04 -0.01 0.54 0.70 0.00 0.00 175.17 176.41 2keq n ARG 50 N 3.44 1.94 0.00 2.11 5.12 -1.10 -5.05 116.66 123.13 2keq n ARG 50 Ca -0.17 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2keq n ARG 50 Cb 0.56 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.64 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 2.60 2.23 3.08 -0.13 0.00 -1.25 -4.80 105.19 106.92 2keq n GLY 51 Ca -0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 0.61 0.19 1.61 8.01 -1.26 -3.58 118.70 124.28 2keq s GLU 52 Ca 0.00 0.12 0.05 0.00 0.01 0.00 0.00 54.97 55.15 2keq s GLU 52 Cb 0.00 0.00 -0.05 0.00 -4.31 0.00 0.00 34.13 29.78 2keq s GLU 52 CO 0.00 -1.10 -0.08 -0.65 0.01 0.00 0.00 175.26 173.45 2keq s GLN 53 N 2.38 1.23 -0.43 1.61 -0.21 -1.18 -4.96 119.66 118.10 2keq s GLN 53 Ca 0.12 -1.57 -0.28 0.00 0.02 0.00 0.00 55.36 53.65 2keq s GLN 53 Cb -0.09 -0.75 -0.02 0.00 1.00 0.00 0.00 33.01 33.15 2keq s GLN 53 CO -0.20 0.04 1.78 -1.83 -2.12 0.00 0.00 175.29 172.96 2keq s GLU 54 N -3.76 3.12 -0.13 2.91 -1.05 -1.26 -2.88 118.70 115.65 2keq s GLU 54 Ca 0.22 1.11 -0.07 0.00 -0.15 0.00 0.00 54.97 56.09 2keq s GLU 54 Cb 0.03 -4.24 -0.04 0.00 -0.44 0.00 0.00 34.13 29.44 2keq s GLU 54 CO 0.05 -2.12 0.13 0.08 0.95 0.00 0.00 175.26 174.35 2keq s VAL 55 N 7.50 5.46 -0.01 1.83 1.01 -0.01 -4.42 120.40 131.75 2keq s VAL 55 Ca 0.74 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.97 2keq s VAL 55 Cb -0.18 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2keq s VAL 55 CO 0.29 0.60 -0.20 -0.36 0.00 0.00 0.00 175.10 175.44 2keq s PHE 56 N -0.90 1.80 -0.17 5.22 0.40 -0.62 -1.38 117.98 122.32 2keq s PHE 56 Ca 0.14 -0.34 -0.25 0.00 -0.60 0.00 0.00 56.93 55.88 2keq s PHE 56 Cb -0.12 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 2keq s PHE 56 CO 0.03 -0.02 0.81 -2.00 0.70 0.00 0.00 175.22 174.74 2keq s GLU 57 N -0.56 4.28 -0.41 0.44 2.12 0.28 -2.56 118.70 122.29 2keq s GLU 57 Ca 0.08 0.96 -0.03 0.00 0.36 0.00 0.00 54.97 56.34 2keq s GLU 57 Cb -0.08 -3.57 0.11 0.00 0.26 0.00 0.00 34.13 30.85 2keq s GLU 57 CO -0.00 -0.32 0.20 0.71 -0.54 0.00 0.00 175.26 175.31 2keq s TYR 58 N 2.12 3.58 0.28 5.30 2.02 0.09 -1.06 117.35 129.69 2keq s TYR 58 Ca 0.37 -2.40 -0.21 0.00 -0.37 0.00 0.00 57.07 54.45 2keq s TYR 58 Cb -0.16 -3.20 -0.09 0.00 -0.40 0.00 0.00 41.96 38.10 2keq s TYR 58 CO 0.12 -0.97 0.81 0.00 -1.57 0.00 0.00 175.55 173.94 2keq s LEU 60 N -2.17 3.98 0.58 0.00 1.02 -0.17 -0.55 118.68 121.37 2keq s LEU 60 Ca 0.48 -0.10 0.36 0.00 0.02 0.00 0.00 54.13 54.89 2keq s LEU 60 Cb -0.16 -2.54 1.64 0.00 0.02 0.00 0.00 46.19 45.14 2keq s LEU 60 CO 0.21 0.00 2.08 1.05 0.02 0.00 0.00 176.35 179.72 2keq h GLU 61 N 1.81 0.00 0.00 1.70 4.11 -1.88 -2.19 114.58 118.13 2keq h GLU 61 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2keq h GLU 61 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2keq h GLU 61 CO 0.63 0.01 -0.34 0.22 0.07 0.00 0.00 179.01 179.59 2keq h ASP 62 N 0.00 0.00 0.00 3.06 3.58 -1.96 -3.48 116.42 117.63 2keq h ASP 62 Ca -0.00 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2keq h ASP 62 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2keq h ASP 62 CO 0.00 0.04 0.00 0.61 -2.88 0.00 0.00 179.24 177.01 2keq n GLY 63 N 1.27 0.88 3.77 -0.78 0.00 -0.82 -5.13 105.19 104.38 2keq n GLY 63 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2keq n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2keq s SER 64 N -1.26 4.83 0.07 1.61 0.01 -1.26 -4.83 113.70 112.87 2keq s SER 64 Ca 0.00 1.88 0.06 0.00 1.31 0.00 0.00 55.95 59.21 2keq s SER 64 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2keq s SER 64 CO 0.00 -1.82 -0.17 -0.76 0.41 0.00 0.00 173.24 170.90 2keq s LEU 65 N -5.43 2.26 0.01 2.44 2.01 -1.26 -0.99 118.68 117.71 2keq s LEU 65 Ca 0.63 -0.61 -0.00 0.00 0.01 0.00 0.00 54.13 54.17 2keq s LEU 65 Cb -0.18 -0.71 -0.01 0.00 0.01 0.00 0.00 46.19 45.30 2keq s LEU 65 CO 0.49 0.02 -0.01 -0.63 1.01 0.00 0.00 176.35 177.23 2keq s ILE 66 N -1.12 0.04 -0.16 -0.59 1.01 -0.97 -5.01 121.20 114.40 2keq s ILE 66 Ca 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 2keq s ILE 66 Cb -0.10 -0.11 0.05 0.00 0.01 0.00 0.00 42.46 42.32 2keq s ILE 66 CO 0.03 -0.20 0.05 -0.13 0.00 0.00 0.00 174.94 174.69 2keq s ARG 67 N -0.57 0.46 0.29 2.79 0.52 -1.26 -0.73 118.95 120.45 2keq s ARG 67 Ca -0.06 -0.21 -0.15 0.00 -0.52 0.00 0.00 55.73 54.79 2keq s ARG 67 Cb -0.04 -1.78 0.01 0.00 0.52 0.00 0.00 34.95 33.66 2keq s ARG 67 CO -0.00 -0.58 0.60 0.00 0.02 0.00 0.00 175.30 175.34 2keq s ALA 68 N 1.96 -0.54 0.52 2.13 0.00 -1.06 -2.54 121.76 122.24 2keq s ALA 68 Ca 0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2keq s ALA 68 Cb -0.16 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 2keq s ALA 68 CO -0.08 -0.93 0.83 0.95 0.00 0.00 0.00 175.76 176.53 2keq s THR 69 N -3.64 4.45 0.58 0.00 -4.23 -1.03 -1.60 115.64 110.17 2keq s THR 69 Ca 0.18 0.12 0.28 0.00 -1.18 0.00 0.00 61.69 61.10 2keq s THR 69 Cb -0.03 -3.71 0.35 0.00 1.34 0.00 0.00 72.50 70.44 2keq s THR 69 CO 0.10 -0.71 2.24 0.11 -0.54 0.00 0.00 174.62 175.82 2keq h LYS 70 N 0.08 0.00 0.00 3.99 6.56 -1.93 -2.82 116.57 122.45 2keq h LYS 70 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 2keq h LYS 70 Cb 1.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2keq h LYS 70 CO 0.61 0.00 -0.39 -0.44 -2.06 0.00 0.00 179.45 177.17 2keq h ASP 71 N 0.00 0.00 -3.32 0.86 3.32 -1.95 -3.32 116.42 112.01 2keq h ASP 71 Ca 0.00 -0.11 -0.53 0.00 0.02 0.00 0.00 57.03 56.41 2keq h ASP 71 Cb 0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.58 2keq h ASP 71 CO -0.00 0.06 0.57 -2.28 -1.72 0.00 0.00 179.24 175.87 2keq s HIS 72 N -3.16 3.43 0.19 4.55 2.46 -1.07 -4.09 115.29 117.60 2keq s HIS 72 Ca 0.07 1.34 -0.02 0.00 0.47 0.00 0.00 55.06 56.92 2keq s HIS 72 Cb 0.12 -3.44 -0.05 0.00 -0.13 0.00 0.00 32.58 29.09 2keq s HIS 72 CO 0.68 -1.30 0.39 0.15 -2.47 0.00 0.00 174.74 172.19 2keq s LYS 73 N 0.42 3.55 -0.02 2.88 3.01 -1.17 -2.12 119.74 126.29 2keq s LYS 73 Ca 0.56 -0.24 0.03 0.00 -1.01 0.00 0.00 55.97 55.31 2keq s LYS 73 Cb -0.31 -2.83 -0.00 0.00 -1.01 0.00 0.00 37.83 33.67 2keq s LYS 73 CO 0.33 0.41 -0.10 -0.06 0.51 0.00 0.00 175.35 176.44 2keq s PHE 74 N -1.81 0.97 -0.40 3.18 0.40 -0.51 -1.04 117.98 118.77 2keq s PHE 74 Ca 0.40 -0.23 -0.28 0.00 -0.60 0.00 0.00 56.93 56.22 2keq s PHE 74 Cb -0.11 -0.67 0.02 0.00 0.51 0.00 0.00 43.02 42.77 2keq s PHE 74 CO 0.28 -0.08 1.05 1.41 0.70 0.00 0.00 175.22 178.58 2keq s MET 75 N 0.05 3.84 1.05 0.44 1.75 -0.64 -3.27 119.30 122.53 2keq s MET 75 Ca -0.01 0.69 -0.14 0.00 -1.25 0.00 0.00 55.69 54.99 2keq s MET 75 Cb -0.07 -3.83 0.21 0.00 2.84 0.00 0.00 34.83 33.98 2keq s MET 75 CO 0.00 -1.11 1.10 0.95 -0.65 0.00 0.00 175.02 175.31 2keq s THR 76 N 3.90 1.93 0.62 10.11 -4.23 -0.33 -2.82 115.64 124.81 2keq s THR 76 Ca 0.44 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 61.27 2keq s THR 76 Cb -0.10 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.61 2keq s THR 76 CO 0.23 0.00 2.15 -0.37 -0.54 0.00 0.00 174.62 176.09 2keq h VAL 77 N -2.06 0.32 0.00 2.29 -1.51 -1.72 -0.67 116.25 112.91 2keq h VAL 77 Ca -0.53 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2keq h VAL 77 Cb 1.33 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2keq h VAL 77 CO 0.54 0.00 -0.15 0.47 -1.23 0.00 0.00 177.57 177.20 2keq n ASP 78 N -3.54 0.53 0.00 4.19 8.00 -1.26 -4.93 116.55 119.53 2keq n ASP 78 Ca -0.00 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.90 2keq n ASP 78 Cb 0.25 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 1.39 0.74 3.81 0.44 0.00 -0.26 -5.08 105.19 106.24 2keq n GLY 79 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.55 3.87 -0.45 1.61 -0.21 -1.26 -4.78 119.66 117.88 2keq s GLN 80 Ca 0.00 1.17 0.04 0.00 0.02 0.00 0.00 55.36 56.59 2keq s GLN 80 Cb 0.00 -2.12 0.12 0.00 1.00 0.00 0.00 33.01 32.01 2keq s GLN 80 CO 0.00 -0.35 0.18 0.00 -2.12 0.00 0.00 175.29 173.00 2keq s MET 81 N -3.56 1.80 0.11 2.91 0.23 -1.26 -1.18 119.30 118.35 2keq s MET 81 Ca 0.63 -2.33 0.11 0.00 -1.03 0.00 0.00 55.69 53.06 2keq s MET 81 Cb -0.13 -3.29 -0.04 0.00 -1.53 0.00 0.00 34.83 29.85 2keq s MET 81 CO 0.24 -1.05 -0.26 -0.51 -2.03 0.00 0.00 175.02 171.41 2keq s LEU 82 N 0.18 2.29 0.51 0.18 1.43 -1.20 -4.84 118.68 117.22 2keq s LEU 82 Ca 0.15 -0.72 -0.23 0.00 -1.03 0.00 0.00 54.13 52.30 2keq s LEU 82 Cb -0.23 -1.20 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 2keq s LEU 82 CO -0.03 0.18 1.30 -2.16 0.23 0.00 0.00 176.35 175.87 2keq s PRO 83 N -1.91 3.41 0.55 1.29 0.04 -1.26 -1.42 135.00 135.69 2keq s PRO 83 Ca 0.13 2.10 0.26 0.00 0.04 0.00 0.00 61.00 63.53 2keq s PRO 83 Cb -0.10 -2.35 1.45 0.00 0.04 0.00 0.00 34.50 33.54 2keq s PRO 83 CO 0.05 -0.93 2.00 0.97 0.04 0.00 0.00 177.00 179.13 2keq h ILE 84 N 1.68 0.64 -0.78 0.56 2.10 -1.55 0.71 117.51 120.87 2keq h ILE 84 Ca -0.50 0.00 0.06 0.00 1.08 0.00 0.00 64.86 65.49 2keq h ILE 84 Cb 1.28 0.73 -0.05 0.00 -1.09 0.00 0.00 36.82 37.70 2keq h ILE 84 CO 0.59 0.00 0.51 -0.78 -1.08 0.00 0.00 178.15 177.39 2keq h ASP 85 N 0.00 0.76 0.17 2.19 3.58 -1.87 -1.75 116.42 119.51 2keq h ASP 85 Ca 0.22 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.45 2keq h ASP 85 Cb 0.95 -0.16 0.03 0.00 1.72 0.00 0.00 39.33 41.86 2keq h ASP 85 CO -0.00 0.50 -0.97 -0.08 -2.88 0.00 0.00 179.24 175.81 2keq h GLU 86 N 0.87 0.36 -0.90 0.28 4.57 -1.21 -3.31 114.58 115.23 2keq h GLU 86 Ca 0.33 -0.61 0.04 0.00 -1.18 0.00 0.00 59.36 57.94 2keq h GLU 86 Cb 0.19 0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 2keq h GLU 86 CO -0.11 1.29 0.58 0.82 -1.18 0.00 0.00 179.01 180.41 2keq h ILE 87 N -0.25 1.14 -0.44 2.32 2.04 -1.21 0.07 117.51 121.18 2keq h ILE 87 Ca -0.17 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 2keq h ILE 87 Cb 1.77 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2keq h ILE 87 CO 0.18 0.21 0.10 0.15 0.00 0.00 0.00 178.15 178.79 2keq h PHE 88 N 1.13 0.68 0.23 1.37 3.57 -1.47 -0.55 116.94 121.89 2keq h PHE 88 Ca 0.36 -0.05 -0.31 0.00 3.53 0.00 0.00 57.97 61.49 2keq h PHE 88 Cb 0.01 -0.20 0.03 0.00 2.79 0.00 0.00 35.95 38.58 2keq h PHE 88 CO -0.02 0.59 -1.41 0.93 -2.23 0.00 0.00 178.31 176.18 2keq h GLU 89 N 0.65 0.49 0.00 1.11 5.08 -1.44 -3.32 114.58 117.15 2keq h GLU 89 Ca 0.15 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 2keq h GLU 89 Cb 0.26 0.31 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2keq h GLU 89 CO -0.00 1.40 0.00 0.54 -1.00 0.00 0.00 179.01 179.95 2keq n ARG 90 N -3.78 0.19 -3.13 2.33 5.12 -0.06 -4.94 116.66 112.39 2keq n ARG 90 Ca -0.17 0.24 -0.23 0.00 -1.93 0.00 0.00 57.85 55.75 2keq n ARG 90 Cb 1.06 -1.76 0.03 0.00 -1.16 0.00 0.00 32.46 30.63 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 -2.10 -4.79 -3.13 5.56 1.02 -0.23 -4.99 120.64 111.98 2keq n GLU 91 Ca 0.05 0.82 -0.34 0.00 -0.02 0.00 0.00 57.16 57.67 2keq n GLU 91 Cb 0.35 -5.67 -0.06 0.00 -0.02 0.00 0.00 31.44 26.04 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 -6.69 4.16 0.54 -4.62 1.43 -1.13 -4.86 118.68 107.51 2keq s LEU 92 Ca 0.34 1.32 -0.05 0.00 -1.03 0.00 0.00 54.13 54.71 2keq s LEU 92 Cb -0.16 -3.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.15 2keq s LEU 92 CO 0.42 -0.12 0.84 -1.81 0.23 0.00 0.00 176.35 175.91 2keq s ASP 93 N -2.06 5.84 0.17 2.29 1.01 -1.26 -4.56 116.67 118.10 2keq s ASP 93 Ca 0.50 0.75 0.08 0.00 0.71 0.00 0.00 52.55 54.60 2keq s ASP 93 Cb -0.12 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 2keq s ASP 93 CO 0.19 -0.87 -0.07 -0.76 0.21 0.00 0.00 175.17 173.86 2keq s LEU 94 N -4.87 3.06 0.30 1.23 1.43 -1.26 -2.41 118.68 116.16 2keq s LEU 94 Ca 0.51 -0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 2keq s LEU 94 Cb -0.10 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 44.27 2keq s LEU 94 CO 0.44 0.11 0.87 -0.32 0.23 0.00 0.00 176.35 177.68 2keq s MET 95 N -2.78 4.43 0.41 1.70 -2.45 -1.13 -4.56 119.30 114.92 2keq s MET 95 Ca 0.25 1.14 0.04 0.00 -1.25 0.00 0.00 55.69 55.87 2keq s MET 95 Cb -0.09 -2.76 -0.03 0.00 1.25 0.00 0.00 34.83 33.20 2keq s MET 95 CO 0.16 0.29 0.13 1.03 1.05 0.00 0.00 175.02 177.67 2keq s ARG 96 N -2.16 1.92 0.00 4.11 3.00 -1.26 -2.28 118.95 122.29 2keq s ARG 96 Ca 0.49 -2.17 0.00 0.00 0.00 0.00 0.00 55.73 54.05 2keq s ARG 96 Cb -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 34.95 34.16 2keq s ARG 96 CO 0.22 -0.47 0.00 1.55 0.00 0.00 0.00 175.30 176.60 2keq n VAL 97 N -0.91 0.00 1.53 3.52 3.14 -1.24 -4.73 118.33 119.64 2keq n VAL 97 Ca -0.06 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.40 2keq n VAL 97 Cb 0.65 -0.33 0.32 0.00 -1.06 0.00 0.00 33.84 33.42 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 -1.68 0.92 -2.70 6.55 8.00 -1.26 -4.89 116.55 121.48 2keq n ASP 98 Ca 0.00 -1.73 -0.19 0.00 0.71 0.00 0.00 54.79 53.58 2keq n ASP 98 Cb 0.26 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.12 -5.18 -4.75 -2.24 3.02 -1.26 -5.00 115.26 99.73 2keq n ASN 99 Ca 0.12 -0.08 -0.32 0.00 -0.03 0.00 0.00 54.58 54.27 2keq n ASN 99 Cb 0.19 -4.29 0.10 0.00 -0.61 0.00 0.00 39.78 35.16 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 -6.17 3.11 0.52 3.41 1.43 -1.26 -5.02 118.68 114.70 2keq s LEU 100 Ca 0.13 1.98 -0.22 0.00 -1.03 0.00 0.00 54.13 55.00 2keq s LEU 100 Cb -0.06 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.56 2keq s LEU 100 CO 0.17 -2.16 1.25 -2.16 0.23 0.00 0.00 176.35 173.68 2keq s PRO 101 N -4.58 3.34 -0.15 1.29 0.04 -1.26 -4.95 135.00 128.73 2keq s PRO 101 Ca 0.65 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 63.37 2keq s PRO 101 Cb -0.20 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 2keq s PRO 101 CO 0.52 -0.95 1.46 -0.80 0.04 0.00 0.00 177.00 177.27 2keq s ASN 102 N -1.24 6.73 -0.03 6.66 -0.87 -1.26 -5.01 114.94 119.92 2keq s ASN 102 Ca 0.70 1.83 -0.01 0.00 -1.57 0.00 0.00 52.86 53.81 2keq s ASN 102 Cb -0.34 -2.54 0.03 0.00 -0.02 0.00 0.00 41.25 38.39 2keq s ASN 102 CO 0.40 -0.93 0.04 0.27 -2.57 0.00 0.00 177.10 174.30 2keq s ILE 103 N 4.05 -0.04 0.73 0.60 -4.36 -1.26 -5.01 121.20 115.92 2keq s ILE 103 Ca 0.64 0.27 -0.04 0.00 -0.26 0.00 0.00 60.65 61.26 2keq s ILE 103 Cb -0.26 -0.14 0.11 0.00 1.25 0.00 0.00 42.46 43.42 2keq s ILE 103 CO 0.23 0.13 1.02 -1.59 0.24 0.00 0.00 174.94 174.97 2keq s LYS 104 N 1.46 1.75 -0.41 0.37 0.00 -1.26 -4.39 119.74 117.26 2keq s LYS 104 Ca -0.04 -0.77 -0.28 0.00 0.00 0.00 0.00 55.97 54.88 2keq s LYS 104 Cb -0.13 -2.24 -0.02 0.00 0.00 0.00 0.00 37.83 35.44 2keq s LYS 104 CO -0.03 -1.45 1.84 0.42 0.00 0.00 0.00 175.35 176.13 2keq s ILE 105 N -3.23 3.43 0.08 3.79 1.01 -1.26 -3.96 121.20 121.06 2keq s ILE 105 Ca 0.65 0.39 -0.14 0.00 0.00 0.00 0.00 60.65 61.55 2keq s ILE 105 Cb -0.07 -3.69 -0.17 0.00 0.01 0.00 0.00 42.46 38.53 2keq s ILE 105 CO 0.45 -0.52 1.27 0.00 0.00 0.00 0.00 174.94 176.13 2keq h ALA 106 N 13.70 0.25 -2.79 9.38 0.00 -1.13 -3.48 119.26 135.19 2keq h ALA 106 Ca -0.31 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 53.96 2keq h ALA 106 Cb 1.17 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 2keq h ALA 106 CO 1.08 0.60 -0.11 0.95 0.00 0.00 0.00 179.25 181.77 2keq s THR 107 N -3.67 0.03 0.01 0.00 -4.23 -1.12 -5.02 115.64 101.65 2keq s THR 107 Ca -0.11 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2keq s THR 107 Cb 0.07 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 2keq s THR 107 CO 0.89 -0.16 -0.06 -0.60 -0.54 0.00 0.00 174.62 174.15 2keq s ARG 108 N -3.93 0.45 -0.02 3.99 3.52 -1.26 -1.03 118.95 120.67 2keq s ARG 108 Ca 0.14 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 2keq s ARG 108 Cb 0.00 -0.36 0.03 0.00 -1.56 0.00 0.00 34.95 33.06 2keq s ARG 108 CO 0.00 0.09 0.02 0.15 -0.81 0.00 0.00 175.30 174.75 2keq s LYS 109 N -0.64 0.02 0.16 5.12 1.02 -0.22 -5.01 119.74 120.19 2keq s LYS 109 Ca -0.02 0.16 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 2keq s LYS 109 Cb -0.05 -0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 36.90 2keq s LYS 109 CO 0.00 -0.15 1.43 -0.47 -0.92 0.00 0.00 175.35 175.24 2keq s TYR 110 N 0.99 3.17 -0.22 3.18 5.04 -1.26 -0.56 117.35 127.69 2keq s TYR 110 Ca -0.09 0.92 -0.05 0.00 -2.44 0.00 0.00 57.07 55.42 2keq s TYR 110 Cb -0.12 -3.75 -0.19 0.00 0.35 0.00 0.00 41.96 38.26 2keq s TYR 110 CO -0.03 -2.59 -0.06 1.28 -1.34 0.00 0.00 175.55 172.81 2keq n LEU 111 N 3.55 2.60 0.00 6.97 4.77 -0.48 -4.89 117.00 129.52 2keq n LEU 111 Ca 0.11 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2keq n LEU 111 Cb 0.41 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2keq n LEU 111 CO 0.59 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 2keq n GLY 112 N 1.93 0.59 2.50 -0.72 0.00 -1.19 -5.03 105.19 103.28 2keq n GLY 112 Ca -0.43 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 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 2.75 -3.11 1.61 4.81 -1.26 -0.83 118.16 122.12 2keq n LYS 113 Ca 0.00 -4.69 -0.25 0.00 -0.87 0.00 0.00 58.31 52.50 2keq n LYS 113 Cb 0.00 -2.28 -0.01 0.00 0.02 0.00 0.00 35.03 32.77 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 -2.61 3.50 -0.02 1.64 -0.21 -1.14 -4.65 119.66 116.17 2keq s GLN 114 Ca 0.40 -0.15 -0.30 0.00 0.02 0.00 0.00 55.36 55.34 2keq s GLN 114 Cb 0.15 -2.56 -0.06 0.00 1.00 0.00 0.00 33.01 31.54 2keq s GLN 114 CO -0.01 0.02 1.66 1.21 -2.12 0.00 0.00 175.29 176.04 2keq s ASN 115 N -4.06 6.65 0.10 5.90 3.04 -1.23 -3.13 114.94 122.21 2keq s ASN 115 Ca 0.43 2.31 0.10 0.00 0.04 0.00 0.00 52.86 55.73 2keq s ASN 115 Cb -0.10 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 37.04 2keq s ASN 115 CO 0.39 -0.91 -0.26 0.68 -3.04 0.00 0.00 177.10 173.96 2keq s VAL 116 N 3.69 2.14 0.05 -5.21 -7.23 -1.26 -3.55 120.40 109.03 2keq s VAL 116 Ca 0.74 -1.62 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 2keq s VAL 116 Cb -0.35 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2keq s VAL 116 CO 0.31 0.14 0.02 -0.31 -0.31 0.00 0.00 175.10 174.95 2keq s TYR 117 N -1.00 0.38 0.18 2.82 1.51 0.20 -2.69 117.35 118.74 2keq s TYR 117 Ca 0.12 -0.82 -0.10 0.00 -1.01 0.00 0.00 57.07 55.26 2keq s TYR 117 Cb -0.10 -0.27 -0.00 0.00 -0.11 0.00 0.00 41.96 41.47 2keq s TYR 117 CO 0.05 -0.37 0.33 0.34 -1.11 0.00 0.00 175.55 174.79 2keq s ASP 118 N -2.55 -0.01 0.06 2.29 2.15 0.45 -1.05 116.67 118.01 2keq s ASP 118 Ca 0.01 -0.84 0.02 0.00 0.43 0.00 0.00 52.55 52.16 2keq s ASP 118 Cb 0.03 0.47 -0.03 0.00 -0.30 0.00 0.00 42.92 43.09 2keq s ASP 118 CO -0.08 -0.94 -0.06 0.27 -0.17 0.00 0.00 175.17 174.19 2keq s ILE 119 N -3.97 0.51 0.19 4.11 -4.36 -1.26 -0.45 121.20 115.98 2keq s ILE 119 Ca 0.17 -1.38 0.01 0.00 -0.26 0.00 0.00 60.65 59.19 2keq s ILE 119 Cb 0.02 -0.97 -0.05 0.00 1.25 0.00 0.00 42.46 42.72 2keq s ILE 119 CO 0.01 -0.60 0.05 -0.83 0.24 0.00 0.00 174.94 173.81 2keq s GLY 120 N -2.13 1.36 0.11 6.27 0.00 -0.34 -4.83 107.32 107.77 2keq s GLY 120 Ca -0.03 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.06 2keq s GLY 120 CO -0.02 -1.51 -0.09 0.14 0.00 0.00 0.00 173.10 171.61 2keq s VAL 121 N -3.79 0.96 -0.86 1.40 1.01 -1.04 -1.40 120.40 116.69 2keq s VAL 121 Ca 0.29 -1.84 0.19 0.00 0.00 0.00 0.00 61.98 60.63 2keq s VAL 121 Cb 0.07 -1.58 0.18 0.00 0.00 0.00 0.00 36.38 35.04 2keq s VAL 121 CO 0.07 -0.69 1.61 1.21 0.00 0.00 0.00 175.10 177.31 2keq n GLU 122 N 0.19 0.06 0.00 2.72 2.13 -1.26 -3.87 120.64 120.61 2keq n GLU 122 Ca -0.13 0.25 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2keq n GLU 122 Cb 0.59 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.69 2keq n GLU 122 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2keq n ARG 123 N -1.73 3.09 -3.98 5.31 1.85 -1.26 -5.12 116.66 114.83 2keq n ARG 123 Ca 0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.78 2keq n ARG 123 Cb 0.22 -0.94 -0.03 0.00 -1.05 0.00 0.00 32.46 30.67 2keq n ARG 123 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2keq s ASP 124 N -2.60 0.30 -0.05 2.89 1.01 -1.25 -5.11 116.67 111.86 2keq s ASP 124 Ca 0.00 -1.17 0.11 0.00 0.71 0.00 0.00 52.55 52.21 2keq s ASP 124 Cb 0.00 0.69 0.21 0.00 1.01 0.00 0.00 42.92 44.83 2keq s ASP 124 CO 0.00 -1.34 1.10 1.57 0.21 0.00 0.00 175.17 176.70 2keq n HIS 125 N -0.49 0.00 -4.20 4.23 -0.00 -1.26 -2.50 115.22 111.00 2keq n HIS 125 Ca -0.02 -0.49 -0.12 0.00 0.46 0.00 0.00 57.72 57.55 2keq n HIS 125 Cb 0.61 -0.12 -0.10 0.00 -0.12 0.00 0.00 29.99 30.26 2keq n HIS 125 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2keq s ASN 126 N -1.87 1.29 0.10 0.26 4.22 -1.26 -1.41 114.94 116.28 2keq s ASN 126 Ca 0.19 -1.04 -0.25 0.00 -2.14 0.00 0.00 52.86 49.62 2keq s ASN 126 Cb 0.19 0.08 0.08 0.00 1.28 0.00 0.00 41.25 42.88 2keq s ASN 126 CO -0.04 -0.46 0.67 0.72 -2.04 0.00 0.00 177.10 175.95 2keq s PHE 127 N -3.57 -0.51 -0.12 1.54 -0.12 -0.68 -4.76 117.98 109.77 2keq s PHE 127 Ca 0.15 0.39 -0.20 0.00 -0.05 0.00 0.00 56.93 57.22 2keq s PHE 127 Cb 0.05 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 2keq s PHE 127 CO -0.02 -0.76 0.58 0.00 -0.05 0.00 0.00 175.22 174.97 2keq s ALA 128 N -3.33 3.44 1.08 1.99 0.00 -0.34 -1.65 121.76 122.95 2keq s ALA 128 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.70 2keq s ALA 128 Cb -0.01 -2.82 0.23 0.00 0.00 0.00 0.00 23.12 20.53 2keq s ALA 128 CO -0.10 -0.15 1.15 -0.51 0.00 0.00 0.00 175.76 176.15 2keq s LEU 129 N 0.95 1.42 0.40 0.00 1.43 -0.24 -3.58 118.68 119.06 2keq s LEU 129 Ca 0.30 0.71 0.17 0.00 -1.03 0.00 0.00 54.13 54.28 2keq s LEU 129 Cb -0.16 -2.66 1.07 0.00 0.03 0.00 0.00 46.19 44.46 2keq s LEU 129 CO 0.13 -3.45 1.82 0.07 0.23 0.00 0.00 176.35 175.15 2keq h LYS 130 N -2.12 0.42 -0.01 1.70 2.10 -1.75 0.46 116.57 117.36 2keq h LYS 130 Ca -0.47 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2keq h LYS 130 Cb 1.30 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2keq h LYS 130 CO 0.43 0.28 -0.35 0.09 -2.00 0.00 0.00 179.45 177.90 2keq n ASN 131 N -4.56 1.31 0.00 7.07 3.02 -1.26 -4.98 115.26 115.87 2keq n ASN 131 Ca 0.21 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 2keq n ASN 131 Cb 0.75 0.26 0.00 0.00 -0.61 0.00 0.00 39.78 40.18 2keq n ASN 131 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2keq n GLY 132 N 1.37 2.90 3.65 7.41 0.00 0.15 -4.50 105.19 116.18 2keq n GLY 132 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.07 2.02 -2.83 1.61 3.72 -1.25 -3.72 117.46 115.94 2keq n PHE 133 Ca 0.00 0.44 -0.41 0.00 -0.05 0.00 0.00 57.45 57.43 2keq n PHE 133 Cb 0.00 -2.44 -0.04 0.00 -0.94 0.00 0.00 39.48 36.06 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 0.19 4.91 -0.06 4.37 -1.09 -0.97 -1.08 121.20 127.48 2keq s ILE 134 Ca 0.73 1.85 0.00 0.00 -2.23 0.00 0.00 60.65 61.00 2keq s ILE 134 Cb -0.71 -4.22 -0.03 0.00 -1.58 0.00 0.00 42.46 35.92 2keq s ILE 134 CO 0.47 0.20 -0.03 0.00 -1.23 0.00 0.00 174.94 174.35 2keq s ALA 135 N 0.87 3.15 -0.09 9.38 0.00 -0.66 -1.61 121.76 132.79 2keq s ALA 135 Ca 0.47 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 2keq s ALA 135 Cb -0.20 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.62 2keq s ALA 135 CO 0.25 0.60 0.25 0.45 0.00 0.00 0.00 175.76 177.30 2keq s SER 136 N -1.03 -0.26 0.00 0.00 0.15 -0.21 -1.68 113.70 110.68 2keq s SER 136 Ca 0.14 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2keq s SER 136 Cb -0.11 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2keq s SER 136 CO 0.04 -0.09 0.00 0.59 1.20 0.00 0.00 173.24 174.98