#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq s ILE 2 N 0.00 2.06 0.27 1.12 -1.09 -1.26 -3.56 121.20 118.73 2wwq s ILE 2 Ca 0.00 0.05 -0.00 0.00 -2.23 0.00 0.00 60.65 58.46 2wwq s ILE 2 Cb 0.00 -3.03 0.25 0.00 -1.58 0.00 0.00 42.46 38.10 2wwq s ILE 2 CO 0.00 0.01 1.74 0.06 -1.23 0.00 0.00 174.94 175.51 2wwq h GLN 3 N 5.67 0.51 -6.28 2.79 3.07 -1.84 -3.40 115.11 115.63 2wwq h GLN 3 Ca -0.45 -0.03 -0.55 0.00 0.09 0.00 0.00 58.65 57.71 2wwq h GLN 3 Cb 1.21 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 28.63 2wwq h GLN 3 CO 0.86 0.34 -0.27 -1.21 0.09 0.00 0.00 178.83 178.65 2wwq s GLU 4 N -5.96 3.61 6.38 0.06 0.41 -1.26 -1.47 118.70 120.47 2wwq s GLU 4 Ca -0.12 -0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.33 2wwq s GLU 4 Cb 0.22 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.79 2wwq s GLU 4 CO 0.78 0.38 0.00 1.04 -0.49 0.00 0.00 175.26 176.97 2wwq n GLN 5 N -0.38 0.00 -1.37 1.61 1.13 -0.88 -4.91 117.38 112.58 2wwq n GLN 5 Ca -0.03 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.10 2wwq n GLN 5 Cb 0.53 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.84 2wwq n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2wwq n THR 6 N 0.00 -1.88 -3.90 5.09 -1.04 -1.26 -1.58 114.28 109.71 2wwq n THR 6 Ca 0.00 1.13 -0.28 0.00 -2.04 0.00 0.00 64.05 62.86 2wwq n THR 6 Cb 0.00 -1.82 -0.17 0.00 -1.82 0.00 0.00 70.33 66.53 2wwq n THR 6 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2wwq s MET 7 N -4.82 1.47 0.34 -2.82 -1.94 -1.26 -3.86 119.30 106.41 2wwq s MET 7 Ca 0.00 -0.39 0.08 0.00 -1.71 0.00 0.00 55.69 53.67 2wwq s MET 7 Cb 0.00 -1.81 -0.04 0.00 2.01 0.00 0.00 34.83 34.99 2wwq s MET 7 CO 0.00 -0.36 0.14 -0.51 -0.01 0.00 0.00 175.02 174.28 2wwq s LEU 8 N 1.67 3.27 0.23 -0.03 1.43 -0.46 -4.79 118.68 120.00 2wwq s LEU 8 Ca 0.03 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.43 2wwq s LEU 8 Cb -0.14 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2wwq s LEU 8 CO -0.08 -0.28 0.23 0.20 0.23 0.00 0.00 176.35 176.65 2wwq s ASN 9 N -3.84 5.78 -0.21 2.29 0.01 -0.74 -2.46 114.94 115.77 2wwq s ASN 9 Ca 0.37 -0.12 -0.23 0.00 -0.71 0.00 0.00 52.86 52.17 2wwq s ASN 9 Cb -0.03 -1.56 -0.02 0.00 0.41 0.00 0.00 41.25 40.06 2wwq s ASN 9 CO 0.23 -0.02 0.74 0.68 -1.51 0.00 0.00 177.10 177.21 2wwq s VAL 10 N -2.00 4.93 -2.17 1.60 -7.23 -1.26 -2.17 120.40 112.11 2wwq s VAL 10 Ca 0.33 1.41 0.19 0.00 -1.81 0.00 0.00 61.98 62.10 2wwq s VAL 10 Cb -0.09 -4.04 0.46 0.00 0.56 0.00 0.00 36.38 33.27 2wwq s VAL 10 CO 0.26 0.03 1.43 0.00 -0.31 0.00 0.00 175.10 176.51 2wwq n ALA 11 N 5.42 2.44 -2.62 1.32 0.00 0.15 -4.86 120.51 122.36 2wwq n ALA 11 Ca 0.02 -0.86 -0.11 0.00 0.00 0.00 0.00 53.44 52.49 2wwq n ALA 11 Cb 0.49 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.86 2wwq n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2wwq s ASP 12 N -1.23 0.79 0.52 0.00 -4.77 -1.26 -2.06 116.67 108.67 2wwq s ASP 12 Ca 0.36 -0.71 0.18 0.00 -3.30 0.00 0.00 52.55 49.08 2wwq s ASP 12 Cb 0.19 0.08 1.32 0.00 -1.09 0.00 0.00 42.92 43.42 2wwq s ASP 12 CO 0.26 -0.33 2.15 -0.55 0.70 0.00 0.00 175.17 177.40 2wwq h ASN 13 N 3.99 0.00 -3.60 2.11 7.08 -1.70 -3.43 115.58 120.03 2wwq h ASN 13 Ca -0.35 0.00 -0.50 0.00 -3.08 0.00 0.00 56.30 52.37 2wwq h ASN 13 Cb 1.19 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.42 2wwq h ASN 13 CO 0.50 0.02 0.05 -0.44 -2.08 0.00 0.00 177.43 175.48 2wwq s SER 14 N -6.92 6.55 0.22 6.14 0.01 -1.26 -4.88 113.70 113.56 2wwq s SER 14 Ca -0.05 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.28 2wwq s SER 14 Cb 0.17 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 64.10 2wwq s SER 14 CO 0.65 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2wwq n GLY 15 N -1.03 -2.39 3.62 3.44 0.00 -1.26 -4.92 105.19 102.65 2wwq n GLY 15 Ca 0.02 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 2wwq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwq s ALA 16 N -2.74 -1.21 0.00 4.61 0.00 -1.24 -4.02 121.76 117.15 2wwq s ALA 16 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2wwq s ALA 16 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2wwq s ALA 16 CO 0.00 -0.88 0.00 0.54 0.00 0.00 0.00 175.76 175.42 2wwq n ARG 17 N -0.40 0.00 -1.89 0.00 1.74 -1.26 -3.79 116.66 111.06 2wwq n ARG 17 Ca -0.09 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.57 2wwq n ARG 17 Cb 0.62 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.04 2wwq n ARG 17 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2wwq s ARG 18 N 0.00 4.19 -0.06 5.56 1.70 -1.26 -4.00 118.95 125.08 2wwq s ARG 18 Ca 0.00 2.44 -0.03 0.00 -0.47 0.00 0.00 55.73 57.68 2wwq s ARG 18 Cb 0.00 -3.06 0.04 0.00 -0.57 0.00 0.00 34.95 31.36 2wwq s ARG 18 CO 0.00 -0.53 0.11 0.08 -1.08 0.00 0.00 175.30 173.89 2wwq s VAL 19 N -0.04 -0.18 -0.04 4.99 1.01 -1.03 -1.89 120.40 123.23 2wwq s VAL 19 Ca 0.61 0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.78 2wwq s VAL 19 Cb -0.45 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 2wwq s VAL 19 CO 0.46 0.15 0.50 -0.04 0.00 0.00 0.00 175.10 176.18 2wwq s MET 20 N 2.12 4.23 0.48 2.72 -1.94 -0.67 -1.35 119.30 124.89 2wwq s MET 20 Ca 0.03 0.55 -0.21 0.00 -1.71 0.00 0.00 55.69 54.35 2wwq s MET 20 Cb -0.12 -3.34 -0.08 0.00 2.01 0.00 0.00 34.83 33.30 2wwq s MET 20 CO -0.05 0.38 1.07 0.00 -0.01 0.00 0.00 175.02 176.42 2wwq n ILE 22 N -0.85 0.00 -3.47 0.00 -5.35 -1.15 -2.07 119.36 106.48 2wwq n ILE 22 Ca 0.09 -0.22 0.01 0.00 -0.27 0.00 0.00 62.75 62.36 2wwq n ILE 22 Cb 0.51 1.23 -0.05 0.00 -1.74 0.00 0.00 39.64 39.59 2wwq n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2wwq s LYS 23 N -0.26 0.22 -0.45 6.28 2.47 -0.54 -4.47 119.74 123.00 2wwq s LYS 23 Ca 0.00 0.47 -0.22 0.00 -1.56 0.00 0.00 55.97 54.66 2wwq s LYS 23 Cb 0.00 0.19 0.03 0.00 -1.46 0.00 0.00 37.83 36.59 2wwq s LYS 23 CO 0.00 -0.06 0.74 0.08 0.16 0.00 0.00 175.35 176.27 2wwq s VAL 24 N 1.83 4.70 0.66 4.02 1.01 -1.26 -2.84 120.40 128.52 2wwq s VAL 24 Ca -0.05 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 2wwq s VAL 24 Cb -0.04 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2wwq s VAL 24 CO -0.15 -0.68 1.06 -0.76 0.00 0.00 0.00 175.10 174.56 2wwq s LEU 25 N 3.14 3.10 0.00 3.92 1.43 -1.26 -3.67 118.68 125.34 2wwq s LEU 25 Ca 0.28 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 2wwq s LEU 25 Cb -0.13 -4.27 0.00 0.00 0.03 0.00 0.00 46.19 41.82 2wwq s LEU 25 CO 0.21 -1.07 0.00 0.61 0.23 0.00 0.00 176.35 176.33 2wwq n GLY 26 N -2.80 2.23 7.00 -3.19 0.00 -1.26 -4.85 105.19 102.31 2wwq n GLY 26 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2wwq n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwq n GLY 27 N -0.43 0.97 2.33 -0.02 0.00 -1.24 -4.91 105.19 101.88 2wwq n GLY 27 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2wwq n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wwq n SER 28 N -3.22 -4.40 -2.88 1.61 7.64 -1.26 -2.82 113.62 108.28 2wwq n SER 28 Ca 0.00 0.17 -0.00 0.00 1.01 0.00 0.00 58.87 60.04 2wwq n SER 28 Cb 0.00 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 2wwq n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wwq n HIS 29 N -3.28 -2.64 -2.11 1.43 1.44 -1.26 -4.97 115.22 103.83 2wwq n HIS 29 Ca -0.15 1.00 -0.42 0.00 -2.01 0.00 0.00 57.72 56.15 2wwq n HIS 29 Cb 0.53 -3.82 -0.03 0.00 0.12 0.00 0.00 29.99 26.79 2wwq n HIS 29 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2wwq s ARG 30 N -3.03 4.30 -0.18 -1.40 3.52 -1.13 -5.01 118.95 116.03 2wwq s ARG 30 Ca 0.01 2.15 -0.07 0.00 -0.13 0.00 0.00 55.73 57.69 2wwq s ARG 30 Cb -0.00 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 2wwq s ARG 30 CO 0.66 -0.45 0.05 1.03 -0.81 0.00 0.00 175.30 175.78 2wwq s ARG 31 N 0.83 3.93 0.68 5.12 0.52 -1.26 -4.69 118.95 124.08 2wwq s ARG 31 Ca 0.64 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 2wwq s ARG 31 Cb -0.39 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 31.92 2wwq s ARG 31 CO 0.33 0.27 0.00 2.48 0.02 0.00 0.00 175.30 178.39 2wwq n TYR 32 N 3.53 0.00 -2.88 -0.53 4.11 -1.26 -4.94 117.16 115.19 2wwq n TYR 32 Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.76 2wwq n TYR 32 Cb 0.52 0.01 -0.01 0.00 -0.00 0.00 0.00 39.34 39.87 2wwq n TYR 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2wwq n ALA 33 N 4.00 -0.45 0.00 -3.48 0.00 -1.23 -4.72 120.51 114.62 2wwq n ALA 33 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2wwq n ALA 33 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2wwq n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwq n GLY 34 N -0.77 1.48 0.00 0.00 0.00 -1.26 -4.46 105.19 100.18 2wwq n GLY 34 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2wwq n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wwq n VAL 35 N 2.69 0.00 0.00 1.61 0.24 -1.26 -4.93 118.33 116.68 2wwq n VAL 35 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wwq n VAL 35 Cb 0.00 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 2wwq n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wwq n GLY 36 N 0.00 0.00 3.68 7.63 0.00 -0.94 -4.57 105.19 110.99 2wwq n GLY 36 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2wwq n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wwq s ASP 37 N 0.00 4.74 0.00 1.61 1.11 -1.26 -4.89 116.67 117.98 2wwq s ASP 37 Ca 0.00 -0.54 -0.18 0.00 0.18 0.00 0.00 52.55 52.01 2wwq s ASP 37 Cb 0.00 -0.96 -0.06 0.00 1.07 0.00 0.00 42.92 42.97 2wwq s ASP 37 CO 0.00 0.01 0.52 -0.63 1.18 0.00 0.00 175.17 176.25 2wwq s ILE 38 N -2.18 4.93 -0.06 0.77 1.01 -1.26 -3.74 121.20 120.65 2wwq s ILE 38 Ca 0.31 1.09 -0.04 0.00 0.00 0.00 0.00 60.65 62.00 2wwq s ILE 38 Cb -0.07 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.58 2wwq s ILE 38 CO 0.20 0.49 0.15 0.27 0.00 0.00 0.00 174.94 176.06 2wwq s ILE 39 N -0.59 -0.02 0.13 2.92 -4.36 -0.72 -4.04 121.20 114.51 2wwq s ILE 39 Ca 0.28 0.08 -0.31 0.00 -0.26 0.00 0.00 60.65 60.44 2wwq s ILE 39 Cb -0.18 -0.24 -0.10 0.00 1.25 0.00 0.00 42.46 43.20 2wwq s ILE 39 CO 0.16 0.03 1.71 -0.75 0.24 0.00 0.00 174.94 176.33 2wwq s LYS 40 N 0.61 4.17 0.31 0.37 2.47 -1.13 -0.39 119.74 126.15 2wwq s LYS 40 Ca -0.04 2.48 0.10 0.00 -1.56 0.00 0.00 55.97 56.95 2wwq s LYS 40 Cb -0.06 -3.41 -0.06 0.00 -1.46 0.00 0.00 37.83 32.84 2wwq s LYS 40 CO -0.03 -0.75 -0.14 -1.50 0.16 0.00 0.00 175.35 173.09 2wwq s ILE 41 N 2.11 2.26 -0.19 5.43 1.10 -0.53 -3.03 121.20 128.34 2wwq s ILE 41 Ca 0.76 -2.28 -0.03 0.00 -0.51 0.00 0.00 60.65 58.58 2wwq s ILE 41 Cb -0.45 -2.46 0.06 0.00 0.15 0.00 0.00 42.46 39.77 2wwq s ILE 41 CO 0.33 -0.31 0.05 -0.89 -2.11 0.00 0.00 174.94 172.02 2wwq s THR 42 N -2.62 0.36 0.22 4.00 2.01 -0.56 -1.75 115.64 117.29 2wwq s THR 42 Ca 0.31 -0.49 -0.32 0.00 0.31 0.00 0.00 61.69 61.50 2wwq s THR 42 Cb -0.01 -0.93 -0.13 0.00 0.01 0.00 0.00 72.50 71.45 2wwq s THR 42 CO 0.15 -0.26 1.62 2.30 -0.69 0.00 0.00 174.62 177.74 2wwq n ILE 43 N 5.11 0.34 -0.11 1.82 -5.35 -1.11 -1.67 119.36 118.39 2wwq n ILE 43 Ca -0.08 -0.08 -0.15 0.00 -0.27 0.00 0.00 62.75 62.17 2wwq n ILE 43 Cb 0.47 -1.79 -0.14 0.00 -1.74 0.00 0.00 39.64 36.45 2wwq n ILE 43 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2wwq n LYS 44 N 3.18 0.67 -4.35 6.28 4.81 -1.20 -2.41 118.16 125.13 2wwq n LYS 44 Ca 0.14 0.10 -0.24 0.00 -0.87 0.00 0.00 58.31 57.45 2wwq n LYS 44 Cb 0.33 -1.54 -0.12 0.00 0.02 0.00 0.00 35.03 33.73 2wwq n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2wwq s GLU 45 N -2.51 1.32 0.14 1.64 0.41 -0.79 -4.64 118.70 114.28 2wwq s GLU 45 Ca -0.24 -1.41 0.00 0.00 -0.41 0.00 0.00 54.97 52.92 2wwq s GLU 45 Cb 0.08 -1.49 -0.04 0.00 -1.78 0.00 0.00 34.13 30.89 2wwq s GLU 45 CO 0.70 0.32 0.02 0.00 -0.49 0.00 0.00 175.26 175.80 2wwq s ALA 46 N -1.80 1.09 0.17 5.21 0.00 -1.25 -3.73 121.76 121.44 2wwq s ALA 46 Ca 0.16 -1.51 -0.32 0.00 0.00 0.00 0.00 51.96 50.29 2wwq s ALA 46 Cb -0.07 0.63 -0.11 0.00 0.00 0.00 0.00 23.12 23.57 2wwq s ALA 46 CO 0.07 -0.38 1.72 -1.50 0.00 0.00 0.00 175.76 175.67 2wwq s ILE 47 N -3.83 2.34 -0.41 0.00 2.07 -1.26 -4.16 121.20 115.95 2wwq s ILE 47 Ca 0.22 0.13 0.23 0.00 -1.41 0.00 0.00 60.65 59.82 2wwq s ILE 47 Cb 0.07 -3.08 0.30 0.00 0.13 0.00 0.00 42.46 39.88 2wwq s ILE 47 CO 0.02 0.01 1.56 1.55 -1.91 0.00 0.00 174.94 176.16 2wwq h PRO 48 N 7.41 0.00 -4.93 3.50 0.13 -1.99 -3.41 132.00 132.71 2wwq h PRO 48 Ca -0.44 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.05 2wwq h PRO 48 Cb 1.21 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.98 2wwq h PRO 48 CO 0.95 0.01 -0.85 0.50 -0.23 0.00 0.00 178.00 178.38 2wwq s ARG 49 N -3.22 2.72 0.00 0.86 6.06 -1.26 -4.97 118.95 119.14 2wwq s ARG 49 Ca 0.06 -0.73 0.00 0.00 -2.50 0.00 0.00 55.73 52.57 2wwq s ARG 49 Cb 0.05 -2.36 0.00 0.00 0.06 0.00 0.00 34.95 32.71 2wwq s ARG 49 CO 0.68 -0.18 0.00 0.41 -2.50 0.00 0.00 175.30 173.71 2wwq n GLY 50 N 4.57 2.02 2.97 8.12 0.00 -1.26 -5.09 105.19 116.51 2wwq n GLY 50 Ca -0.19 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 2wwq n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq s LYS 51 N -3.21 0.12 0.00 1.61 -0.14 -1.26 -4.79 119.74 112.07 2wwq s LYS 51 Ca 0.00 0.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.88 2wwq s LYS 51 Cb 0.00 -0.05 0.00 0.00 -1.68 0.00 0.00 37.83 36.10 2wwq s LYS 51 CO 0.00 -0.09 0.68 1.33 -0.76 0.00 0.00 175.35 176.52 2wwq n VAL 52 N 3.59 0.00 -1.49 3.17 0.24 -1.26 -5.14 118.33 117.43 2wwq n VAL 52 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2wwq n VAL 52 Cb 0.56 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 2wwq n VAL 52 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wwq n LYS 53 N 0.00 -3.35 -2.99 7.34 4.76 -1.26 -4.90 118.16 117.76 2wwq n LYS 53 Ca 0.00 2.56 -0.29 0.00 -2.87 0.00 0.00 58.31 57.71 2wwq n LYS 53 Cb 0.58 -3.20 -0.03 0.00 -1.84 0.00 0.00 35.03 30.54 2wwq n LYS 53 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2wwq s LYS 54 N -4.45 3.69 0.00 1.97 -2.85 -1.26 -4.33 119.74 112.52 2wwq s LYS 54 Ca 0.00 0.26 0.00 0.00 -1.00 0.00 0.00 55.97 55.23 2wwq s LYS 54 Cb 0.00 -2.47 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 2wwq s LYS 54 CO 0.00 0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.88 2wwq n GLY 55 N -1.34 1.95 3.56 0.59 0.00 -1.01 -5.05 105.19 103.89 2wwq n GLY 55 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2wwq n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wwq n ASP 56 N 0.00 -0.15 -4.70 1.61 10.43 -1.26 -4.78 116.55 117.71 2wwq n ASP 56 Ca 0.00 0.62 -0.36 0.00 2.57 0.00 0.00 54.79 57.62 2wwq n ASP 56 Cb 0.00 -1.34 -0.09 0.00 1.84 0.00 0.00 41.12 41.53 2wwq n ASP 56 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2wwq s VAL 57 N -1.91 5.38 0.00 2.53 -7.23 -1.26 -2.74 120.40 115.17 2wwq s VAL 57 Ca 0.70 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 61.08 2wwq s VAL 57 Cb -0.33 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2wwq s VAL 57 CO 0.54 0.40 0.00 0.18 -0.31 0.00 0.00 175.10 175.90 2wwq n LEU 58 N 3.86 0.00 -3.90 1.32 4.77 -0.72 -4.93 117.00 117.39 2wwq n LEU 58 Ca -0.15 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 2wwq n LEU 58 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2wwq n LEU 58 CO 0.36 0.00 -0.16 -0.54 -1.33 0.00 0.00 177.39 175.72 2wwq s LYS 59 N 1.67 0.71 0.25 3.23 1.02 -1.09 -1.45 119.74 124.07 2wwq s LYS 59 Ca 0.00 -0.86 -0.12 0.00 0.02 0.00 0.00 55.97 55.02 2wwq s LYS 59 Cb 0.00 0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.58 2wwq s LYS 59 CO 0.00 -0.20 0.45 0.00 -0.92 0.00 0.00 175.35 174.68 2wwq s ALA 60 N -3.21 -0.10 -0.12 5.17 0.00 0.48 -0.89 121.76 123.09 2wwq s ALA 60 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2wwq s ALA 60 Cb 0.02 1.10 -0.01 0.00 0.00 0.00 0.00 23.12 24.23 2wwq s ALA 60 CO -0.07 -0.83 -0.17 0.14 0.00 0.00 0.00 175.76 174.83 2wwq s VAL 61 N -4.00 2.71 -0.20 0.00 -7.23 -0.66 -1.76 120.40 109.26 2wwq s VAL 61 Ca 0.24 -0.79 -0.23 0.00 -1.81 0.00 0.00 61.98 59.39 2wwq s VAL 61 Cb -0.00 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 2wwq s VAL 61 CO 0.10 0.54 0.76 -0.69 -0.31 0.00 0.00 175.10 175.49 2wwq s VAL 62 N 0.35 4.92 -0.39 1.32 1.01 -1.25 -2.60 120.40 123.76 2wwq s VAL 62 Ca -0.14 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.32 2wwq s VAL 62 Cb -0.17 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.21 2wwq s VAL 62 CO 0.07 0.03 0.81 1.33 0.00 0.00 0.00 175.10 177.34 2wwq n VAL 63 N 4.88 0.42 -3.33 2.92 0.24 -0.86 -2.21 118.33 120.39 2wwq n VAL 63 Ca 0.03 -0.71 -0.13 0.00 -2.04 0.00 0.00 64.34 61.48 2wwq n VAL 63 Cb 0.49 0.83 -0.06 0.00 -1.47 0.00 0.00 33.84 33.63 2wwq n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2wwq s ARG 64 N -0.60 0.66 -0.29 7.34 0.52 -1.19 -4.40 118.95 120.99 2wwq s ARG 64 Ca 0.06 -0.71 -0.11 0.00 -0.52 0.00 0.00 55.73 54.45 2wwq s ARG 64 Cb 0.03 -0.56 -0.03 0.00 0.52 0.00 0.00 34.95 34.91 2wwq s ARG 64 CO 0.05 -1.19 0.18 0.99 0.02 0.00 0.00 175.30 175.35 2wwq s THR 65 N 1.56 5.04 0.12 0.02 2.01 -1.26 -2.93 115.64 120.20 2wwq s THR 65 Ca 0.16 -0.07 0.18 0.00 0.31 0.00 0.00 61.69 62.28 2wwq s THR 65 Cb -0.13 -3.47 0.13 0.00 0.01 0.00 0.00 72.50 69.04 2wwq s THR 65 CO -0.05 0.17 1.70 0.50 -0.69 0.00 0.00 174.62 176.24 2wwq h LYS 66 N 8.38 0.00 0.18 4.92 3.64 -1.78 -2.95 116.57 128.95 2wwq h LYS 66 Ca -0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 2wwq h LYS 66 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2wwq h LYS 66 CO 0.58 0.39 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.85 2wwq h LYS 67 N 0.00 -0.23 0.00 1.90 1.63 -1.91 -3.38 116.57 114.58 2wwq h LYS 67 Ca -0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2wwq h LYS 67 Cb 0.96 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2wwq h LYS 67 CO 0.05 0.17 0.00 0.41 -3.45 0.00 0.00 179.45 176.63 2wwq n GLY 68 N 0.24 3.86 3.22 5.01 0.00 -1.12 -4.79 105.19 111.61 2wwq n GLY 68 Ca -0.08 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 2wwq n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wwq s VAL 69 N -2.07 0.00 0.00 1.61 1.01 -1.17 -4.94 120.40 114.84 2wwq s VAL 69 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 59.99 2wwq s VAL 69 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2wwq s VAL 69 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 175.10 172.99 2wwq n ARG 70 N -0.35 0.00 0.00 2.72 1.85 -1.26 -1.67 116.66 117.95 2wwq n ARG 70 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 2wwq n ARG 70 Cb 0.65 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.06 2wwq n ARG 70 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wwq n ARG 71 N -0.15 0.00 0.08 2.89 1.85 -1.23 -4.87 116.66 115.23 2wwq n ARG 71 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.88 2wwq n ARG 71 Cb 0.00 0.00 0.40 0.00 -1.05 0.00 0.00 32.46 31.81 2wwq n ARG 71 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2wwq h PRO 72 N 0.00 0.35 -0.09 2.89 0.13 -2.02 0.62 132.00 133.88 2wwq h PRO 72 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2wwq h PRO 72 Cb 0.00 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.07 2wwq h PRO 72 CO 0.00 0.38 0.00 -0.40 -0.23 0.00 0.00 178.00 177.75 2wwq n ASP 73 N -4.34 1.51 -0.12 1.44 5.75 -1.26 -4.92 116.55 114.61 2wwq n ASP 73 Ca 0.00 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 2wwq n ASP 73 Cb 0.20 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2wwq n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wwq n GLY 74 N 1.14 0.84 3.70 6.12 0.00 -1.02 -5.05 105.19 110.92 2wwq n GLY 74 Ca 0.18 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2wwq n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wwq s SER 75 N -2.75 6.48 -0.14 1.61 1.04 0.18 -4.79 113.70 115.32 2wwq s SER 75 Ca 0.00 0.56 -0.12 0.00 0.48 0.00 0.00 55.95 56.87 2wwq s SER 75 Cb 0.00 -2.22 -0.05 0.00 0.10 0.00 0.00 66.02 63.85 2wwq s SER 75 CO 0.00 0.01 0.24 -0.69 0.98 0.00 0.00 173.24 173.79 2wwq s VAL 76 N 0.82 5.33 -0.36 5.02 1.01 -1.26 -3.50 120.40 127.47 2wwq s VAL 76 Ca 0.19 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 2wwq s VAL 76 Cb -0.14 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.72 2wwq s VAL 76 CO 0.07 0.46 0.15 -0.63 0.00 0.00 0.00 175.10 175.15 2wwq s ILE 77 N 0.02 4.02 -0.30 2.22 1.01 -0.67 -5.00 121.20 122.51 2wwq s ILE 77 Ca 0.15 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 2wwq s ILE 77 Cb -0.13 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2wwq s ILE 77 CO 0.04 -0.26 0.10 -0.60 0.00 0.00 0.00 174.94 174.22 2wwq s ARG 78 N 1.43 3.20 0.71 2.79 3.52 -1.26 -3.05 118.95 126.29 2wwq s ARG 78 Ca 0.00 -0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 54.73 2wwq s ARG 78 Cb -0.20 -3.43 0.05 0.00 -1.56 0.00 0.00 34.95 29.81 2wwq s ARG 78 CO 0.03 -0.42 1.04 -0.06 -0.81 0.00 0.00 175.30 175.08 2wwq s PHE 79 N 1.54 3.01 0.00 5.12 0.40 -1.17 -5.00 117.98 121.88 2wwq s PHE 79 Ca 0.03 0.59 0.00 0.00 -0.60 0.00 0.00 56.93 56.95 2wwq s PHE 79 Cb -0.17 -3.18 0.00 0.00 0.51 0.00 0.00 43.02 40.18 2wwq s PHE 79 CO 0.04 -1.38 0.51 -0.25 0.70 0.00 0.00 175.22 174.84 2wwq n ASP 80 N -2.96 1.02 -2.43 1.36 10.43 -1.26 -4.51 116.55 118.21 2wwq n ASP 80 Ca 0.07 -1.05 -0.04 0.00 2.57 0.00 0.00 54.79 56.34 2wwq n ASP 80 Cb 0.60 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.56 2wwq n ASP 80 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wwq n GLY 81 N -0.03 2.75 1.33 0.44 0.00 -1.26 -5.00 105.19 103.42 2wwq n GLY 81 Ca 0.00 -2.18 -0.00 0.00 0.00 0.00 0.00 46.02 43.84 2wwq n GLY 81 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wwq n ASN 82 N -2.20 0.22 -4.89 1.61 5.03 -1.15 -3.34 115.26 110.53 2wwq n ASN 82 Ca 0.00 -2.00 -0.29 0.00 0.87 0.00 0.00 54.58 53.16 2wwq n ASN 82 Cb 0.09 -0.06 -0.02 0.00 -1.02 0.00 0.00 39.78 38.76 2wwq n ASN 82 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wwq s ALA 83 N -0.04 3.41 0.31 5.41 0.00 -1.17 -1.79 121.76 127.90 2wwq s ALA 83 Ca 0.21 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2wwq s ALA 83 Cb 0.24 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 2wwq s ALA 83 CO -0.10 -0.05 0.35 0.00 0.00 0.00 0.00 175.76 175.95 2wwq s VAL 85 N -3.43 1.66 0.41 0.00 1.01 -1.07 -0.67 120.40 118.30 2wwq s VAL 85 Ca 0.35 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 2wwq s VAL 85 Cb 0.02 -1.47 -0.10 0.00 0.00 0.00 0.00 36.38 34.83 2wwq s VAL 85 CO 0.21 0.47 1.00 -0.76 0.00 0.00 0.00 175.10 176.03 2wwq s LEU 86 N 0.63 4.08 -0.01 3.92 1.43 -1.26 -1.66 118.68 125.81 2wwq s LEU 86 Ca -0.14 1.90 -0.01 0.00 -1.03 0.00 0.00 54.13 54.85 2wwq s LEU 86 Cb -0.16 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.76 2wwq s LEU 86 CO 0.04 -0.43 0.02 -0.76 0.23 0.00 0.00 176.35 175.45 2wwq s LEU 87 N -2.80 1.92 0.25 1.79 1.43 -0.07 -3.41 118.68 117.80 2wwq s LEU 87 Ca 0.59 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 2wwq s LEU 87 Cb -0.17 0.09 -0.15 0.00 0.03 0.00 0.00 46.19 45.98 2wwq s LEU 87 CO 0.22 -0.03 0.87 -3.20 0.23 0.00 0.00 176.35 174.45 2wwq n ASN 88 N 2.97 0.51 -0.01 2.29 2.85 -0.66 -2.67 115.26 120.55 2wwq n ASN 88 Ca -0.13 1.16 0.06 0.00 -0.11 0.00 0.00 54.58 55.57 2wwq n ASN 88 Cb 0.60 -1.18 -0.10 0.00 1.24 0.00 0.00 39.78 40.34 2wwq n ASN 88 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 2wwq n ASN 89 N 1.53 1.82 -0.80 1.20 0.23 -1.26 -3.09 115.26 114.89 2wwq n ASN 89 Ca 0.13 -0.11 0.09 0.00 -0.53 0.00 0.00 54.58 54.15 2wwq n ASN 89 Cb 0.29 1.51 0.11 0.00 -2.08 0.00 0.00 39.78 39.61 2wwq n ASN 89 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2wwq n ASN 90 N -1.86 2.73 0.00 0.53 4.13 -1.26 -4.93 115.26 114.60 2wwq n ASN 90 Ca -0.02 -1.81 0.00 0.00 1.68 0.00 0.00 54.58 54.43 2wwq n ASN 90 Cb 0.32 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 2wwq n ASN 90 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2wwq n SER 91 N 1.07 0.00 0.00 6.41 7.64 -1.25 -5.09 113.62 122.40 2wwq n SER 91 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2wwq n SER 91 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2wwq n SER 91 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2wwq n GLU 92 N 0.00 0.00 -2.11 1.43 0.00 -1.18 -4.91 120.64 113.88 2wwq n GLU 92 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 2wwq n GLU 92 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 2wwq n GLU 92 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 2wwq s GLN 93 N 0.00 4.31 0.04 3.44 -1.52 -1.26 -4.61 119.66 120.05 2wwq s GLN 93 Ca 0.00 2.21 -0.37 0.00 -1.95 0.00 0.00 55.36 55.25 2wwq s GLN 93 Cb 0.00 -3.03 -0.16 0.00 -0.22 0.00 0.00 33.01 29.60 2wwq s GLN 93 CO 0.00 -0.23 1.45 -2.30 -0.25 0.00 0.00 175.29 173.96 2wwq n PRO 94 N 0.71 1.33 0.04 2.91 -0.02 -1.26 -1.65 135.00 137.06 2wwq n PRO 94 Ca 0.00 0.48 -0.20 0.00 -2.02 0.00 0.00 63.50 61.77 2wwq n PRO 94 Cb 0.42 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.60 2wwq n PRO 94 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2wwq h ILE 95 N 3.72 0.88 -3.94 4.25 2.04 -1.90 -3.46 117.51 119.11 2wwq h ILE 95 Ca -0.47 -2.54 -0.52 0.00 1.00 0.00 0.00 64.86 62.33 2wwq h ILE 95 Cb 1.32 2.65 0.07 0.00 -0.74 0.00 0.00 36.82 40.13 2wwq h ILE 95 CO 0.83 0.83 0.60 -0.83 0.00 0.00 0.00 178.15 179.57 2wwq s GLY 96 N -5.23 2.93 -0.02 5.37 0.00 -1.26 -4.94 107.32 104.18 2wwq s GLY 96 Ca -0.15 1.19 0.13 0.00 0.00 0.00 0.00 44.72 45.89 2wwq s GLY 96 CO 0.83 1.78 0.30 2.41 0.00 0.00 0.00 173.10 178.41 2wwq n THR 97 N 0.22 0.00 -4.40 0.90 -1.04 -1.26 -4.90 114.28 103.80 2wwq n THR 97 Ca 0.03 -0.30 -0.20 0.00 -2.04 0.00 0.00 64.05 61.54 2wwq n THR 97 Cb 0.44 0.20 -0.14 0.00 -1.82 0.00 0.00 70.33 69.01 2wwq n THR 97 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2wwq s ARG 98 N -2.92 0.93 -0.02 -2.82 3.52 -1.26 -5.04 118.95 111.33 2wwq s ARG 98 Ca -0.05 -0.63 0.03 0.00 -0.13 0.00 0.00 55.73 54.94 2wwq s ARG 98 Cb 0.09 -0.91 -0.00 0.00 -1.56 0.00 0.00 34.95 32.57 2wwq s ARG 98 CO 0.55 0.23 -0.09 0.42 -0.81 0.00 0.00 175.30 175.60 2wwq s ILE 99 N -0.66 0.79 -0.05 4.11 1.01 -1.23 -1.70 121.20 123.46 2wwq s ILE 99 Ca 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 2wwq s ILE 99 Cb -0.07 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.73 2wwq s ILE 99 CO 0.01 0.24 0.13 0.72 0.00 0.00 0.00 174.94 176.03 2wwq s PHE 100 N 0.06 -0.14 0.00 3.97 -0.12 -0.87 -4.40 117.98 116.48 2wwq s PHE 100 Ca -0.01 0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.24 2wwq s PHE 100 Cb -0.07 0.00 0.00 0.00 -0.63 0.00 0.00 43.02 42.32 2wwq s PHE 100 CO 0.00 -0.10 0.00 0.41 -0.05 0.00 0.00 175.22 175.49 2wwq n GLY 101 N 3.39 4.61 3.76 1.99 0.00 -1.26 -4.62 105.19 113.06 2wwq n GLY 101 Ca -0.17 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 2wwq n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wwq s PRO 102 N -4.98 2.49 0.26 1.61 0.04 -1.26 -4.04 135.00 129.12 2wwq s PRO 102 Ca 0.00 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 2wwq s PRO 102 Cb 0.00 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2wwq s PRO 102 CO 0.00 -1.49 0.25 0.14 0.04 0.00 0.00 177.00 175.95 2wwq s VAL 103 N -2.49 0.00 -0.00 -0.36 -7.23 -1.26 -4.66 120.40 104.40 2wwq s VAL 103 Ca 0.66 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 2wwq s VAL 103 Cb -0.20 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2wwq s VAL 103 CO 0.47 0.00 0.04 0.42 -0.31 0.00 0.00 175.10 175.72 2wwq s THR 104 N -3.83 4.45 -0.66 5.32 -4.23 -1.26 -5.00 115.64 110.43 2wwq s THR 104 Ca 0.36 -0.51 0.21 0.00 -1.18 0.00 0.00 61.69 60.57 2wwq s THR 104 Cb 0.04 -3.02 0.21 0.00 1.34 0.00 0.00 72.50 71.08 2wwq s THR 104 CO 0.17 0.36 1.65 -2.11 -0.54 0.00 0.00 174.62 174.14 2wwq n ARG 105 N 1.26 0.13 0.00 3.99 1.85 -1.26 -2.60 116.66 120.04 2wwq n ARG 105 Ca -0.14 0.35 0.08 0.00 -1.00 0.00 0.00 57.85 57.15 2wwq n ARG 105 Cb 0.53 -1.75 0.45 0.00 -1.05 0.00 0.00 32.46 30.64 2wwq n ARG 105 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2wwq n GLU 106 N -2.00 0.33 -0.00 2.89 -0.58 -1.26 -1.74 120.64 118.29 2wwq n GLU 106 Ca 0.03 0.09 0.07 0.00 -0.42 0.00 0.00 57.16 56.93 2wwq n GLU 106 Cb 0.22 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.50 2wwq n GLU 106 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wwq n LEU 107 N -1.20 0.46 -0.03 -4.62 4.77 -1.07 -4.10 117.00 111.21 2wwq n LEU 107 Ca 0.10 -0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 55.61 2wwq n LEU 107 Cb 0.11 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 2wwq n LEU 107 CO 0.12 0.12 0.59 -0.09 -1.33 0.00 0.00 177.39 176.80 2wwq h ARG 108 N 0.00 0.13 -7.00 3.23 2.43 -1.46 -3.39 114.38 108.33 2wwq h ARG 108 Ca 0.00 -0.08 -0.53 0.00 -0.81 0.00 0.00 59.98 58.56 2wwq h ARG 108 Cb 0.46 0.01 0.09 0.00 -0.42 0.00 0.00 29.97 30.11 2wwq h ARG 108 CO 0.00 0.63 0.56 -1.12 -1.51 0.00 0.00 179.97 178.53 2wwq s SER 109 N -5.91 5.95 0.48 -3.80 0.01 -1.05 -4.83 113.70 104.54 2wwq s SER 109 Ca -0.15 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.66 2wwq s SER 109 Cb 0.03 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2wwq s SER 109 CO 0.71 -1.08 0.00 -0.62 0.41 0.00 0.00 173.24 172.65 2wwq n GLU 110 N -0.44 -2.97 -1.96 12.44 -0.58 -1.26 -4.72 120.64 121.15 2wwq n GLU 110 Ca 0.07 2.25 -0.42 0.00 -0.42 0.00 0.00 57.16 58.64 2wwq n GLU 110 Cb 0.46 -3.57 -0.03 0.00 -0.57 0.00 0.00 31.44 27.73 2wwq n GLU 110 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2wwq s LYS 111 N -3.42 3.10 0.00 3.49 2.47 -1.26 -4.27 119.74 119.84 2wwq s LYS 111 Ca 0.00 1.29 0.00 0.00 -1.56 0.00 0.00 55.97 55.70 2wwq s LYS 111 Cb 0.00 -4.27 0.00 0.00 -1.46 0.00 0.00 37.83 32.10 2wwq s LYS 111 CO 0.00 -2.14 0.00 1.19 0.16 0.00 0.00 175.35 174.56 2wwq n PHE 112 N 11.22 0.00 0.00 4.03 0.99 -1.26 -5.06 117.46 127.38 2wwq n PHE 112 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 2wwq n PHE 112 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.97 2wwq n PHE 112 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 2wwq n MET 113 N 0.00 0.00 -0.48 -1.08 2.81 -1.26 -0.77 117.12 116.35 2wwq n MET 113 Ca 0.00 0.00 0.39 0.00 -1.81 0.00 0.00 57.70 56.28 2wwq n MET 113 Cb 0.02 0.00 0.65 0.00 -0.71 0.00 0.00 33.22 33.18 2wwq n MET 113 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wwq n LYS 114 N -3.10 -0.03 -0.00 0.03 4.01 -1.26 -2.07 118.16 115.73 2wwq n LYS 114 Ca 0.00 1.14 -0.17 0.00 -0.51 0.00 0.00 58.31 58.77 2wwq n LYS 114 Cb 0.00 -2.31 -0.13 0.00 -0.51 0.00 0.00 35.03 32.08 2wwq n LYS 114 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2wwq h ILE 115 N 0.00 1.61 -0.28 -0.18 2.04 -1.33 -3.30 117.51 116.08 2wwq h ILE 115 Ca 0.83 -2.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.27 2wwq h ILE 115 Cb 2.78 3.19 -0.03 0.00 -0.74 0.00 0.00 36.82 42.02 2wwq h ILE 115 CO -0.37 0.65 0.06 2.30 0.00 0.00 0.00 178.15 180.79 2wwq n ILE 116 N -4.35 1.32 -0.03 -0.67 -6.64 -0.88 -3.23 119.36 104.87 2wwq n ILE 116 Ca -0.12 -0.63 -0.02 0.00 -1.77 0.00 0.00 62.75 60.21 2wwq n ILE 116 Cb 0.65 -0.49 -0.06 0.00 -1.44 0.00 0.00 39.64 38.30 2wwq n ILE 116 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 2wwq n SER 117 N 0.16 3.18 -1.22 7.28 7.64 -1.20 -4.63 113.62 124.83 2wwq n SER 117 Ca 0.14 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.12 2wwq n SER 117 Cb 0.72 0.79 0.29 0.00 -1.01 0.00 0.00 64.21 65.00 2wwq n SER 117 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wwq n LEU 118 N -2.20 3.96 -3.90 -3.43 4.77 -1.20 -4.96 117.00 110.05 2wwq n LEU 118 Ca -0.10 -2.22 -0.10 0.00 -0.03 0.00 0.00 56.01 53.56 2wwq n LEU 118 Cb 0.66 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 2wwq n LEU 118 CO 0.16 0.85 -0.19 0.00 -1.33 0.00 0.00 177.39 176.87 2wwq s ALA 119 N -1.40 -0.17 0.00 -1.18 0.00 -1.24 -3.53 121.76 114.24 2wwq s ALA 119 Ca 0.43 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2wwq s ALA 119 Cb 0.25 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2wwq s ALA 119 CO 0.24 -0.29 0.00 -0.35 0.00 0.00 0.00 175.76 175.36 2wwq n PRO 120 N 0.95 2.66 -0.79 0.00 -0.04 -1.26 -4.90 135.00 131.63 2wwq n PRO 120 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2wwq n PRO 120 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 2wwq n PRO 120 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55