#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o3k s MET 6 N 0.00 3.31 0.65 1.61 1.00 -1.26 -4.84 119.30 119.77 2o3k s MET 6 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 55.69 56.51 2o3k s MET 6 Cb 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 34.83 32.77 2o3k s MET 6 CO 0.00 -0.80 1.04 0.00 0.00 0.00 0.00 175.02 175.26 2o3k s ALA 7 N -2.96 2.94 0.10 3.03 0.00 -1.26 -5.01 121.76 118.60 2o3k s ALA 7 Ca 0.58 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.58 2o3k s ALA 7 Cb -0.13 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2o3k s ALA 7 CO 0.49 -0.90 -0.17 0.45 0.00 0.00 0.00 175.76 175.64 2o3k s SER 8 N -4.04 2.14 0.21 0.00 0.15 -1.26 -5.03 113.70 105.87 2o3k s SER 8 Ca 0.56 -0.69 0.12 0.00 0.70 0.00 0.00 55.95 56.64 2o3k s SER 8 Cb -0.12 -0.10 0.65 0.00 -1.71 0.00 0.00 66.02 64.75 2o3k s SER 8 CO 0.54 -0.03 1.31 2.29 1.20 0.00 0.00 173.24 178.56 2o3k n LYS 9 N 1.03 0.08 0.00 5.44 2.85 -1.26 -1.28 118.16 125.01 2o3k n LYS 9 Ca -0.19 0.55 0.09 0.00 -1.05 0.00 0.00 58.31 57.71 2o3k n LYS 9 Cb 0.54 -1.86 -0.00 0.00 -0.65 0.00 0.00 35.03 33.06 2o3k n LYS 9 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2o3k n TRP 10 N -1.92 0.00 -0.14 5.58 7.02 -1.26 -4.61 117.44 122.12 2o3k n TRP 10 Ca -0.01 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 2o3k n TRP 10 Cb 0.12 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.06 2o3k n TRP 10 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2o3k h ASP 11 N 2.12 -0.02 -0.74 -0.99 3.32 -1.61 0.18 116.42 118.67 2o3k h ASP 11 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2o3k h ASP 11 Cb 0.64 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 2o3k h ASP 11 CO 0.00 0.02 0.47 -0.61 -1.72 0.00 0.00 179.24 177.40 2o3k h GLN 12 N 0.20 0.98 -0.27 3.56 5.75 -1.81 -0.76 115.11 122.76 2o3k h GLN 12 Ca 0.22 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.61 2o3k h GLN 12 Cb 0.29 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2o3k h GLN 12 CO -0.30 0.67 0.03 -0.22 -2.65 0.00 0.00 178.83 176.36 2o3k h LYS 13 N 1.00 0.46 -0.51 1.69 3.64 -1.69 -2.41 116.57 118.76 2o3k h LYS 13 Ca 0.27 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2o3k h LYS 13 Cb -0.08 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2o3k h LYS 13 CO -0.05 0.59 0.28 0.78 -2.27 0.00 0.00 179.45 178.78 2o3k h GLY 14 N 0.26 0.75 2.00 5.01 0.00 -0.31 -2.33 103.07 108.45 2o3k h GLY 14 Ca 0.08 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 2o3k h GLY 14 CO 0.01 0.33 -0.45 1.98 0.00 0.00 0.00 176.54 178.41 2o3k h MET 15 N 0.67 0.00 -0.20 4.80 1.85 -1.16 -2.05 114.93 118.85 2o3k h MET 15 Ca 0.18 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.20 2o3k h MET 15 Cb 0.05 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.07 2o3k h MET 15 CO -0.03 0.45 -0.16 -0.44 -0.40 0.00 0.00 176.91 176.33 2o3k h ASP 16 N 0.00 0.49 -0.48 1.39 3.32 -1.21 -0.92 116.42 119.00 2o3k h ASP 16 Ca -0.00 -0.46 0.03 0.00 0.02 0.00 0.00 57.03 56.62 2o3k h ASP 16 Cb 0.89 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 2o3k h ASP 16 CO 0.06 0.84 0.26 0.40 -1.72 0.00 0.00 179.24 179.08 2o3k h ILE 17 N 0.14 1.00 -0.48 0.35 1.08 -1.29 -1.06 117.51 117.25 2o3k h ILE 17 Ca 0.04 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 2o3k h ILE 17 Cb 0.69 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 2o3k h ILE 17 CO 0.04 0.10 0.32 0.00 -0.69 0.00 0.00 178.15 177.92 2o3k h ALA 18 N 1.24 0.61 -0.78 1.87 0.00 -1.24 -0.95 119.26 120.02 2o3k h ALA 18 Ca 0.20 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2o3k h ALA 18 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2o3k h ALA 18 CO -0.12 0.06 0.30 -0.92 0.00 0.00 0.00 179.25 178.56 2o3k h TYR 19 N 0.66 1.20 -0.65 0.00 3.20 -0.80 0.37 116.97 120.94 2o3k h TYR 19 Ca 0.18 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2o3k h TYR 19 Cb -0.08 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 37.81 2o3k h TYR 19 CO -0.04 0.92 0.18 0.93 -1.64 0.00 0.00 178.16 178.50 2o3k h GLU 20 N 1.14 1.00 -0.53 1.82 5.08 -0.83 0.11 114.58 122.39 2o3k h GLU 20 Ca 0.26 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2o3k h GLU 20 Cb 0.24 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2o3k h GLU 20 CO -0.02 0.88 0.06 0.93 -1.00 0.00 0.00 179.01 179.86 2o3k h GLU 21 N 0.96 0.89 -0.06 2.33 4.39 -0.58 0.46 114.58 122.96 2o3k h GLU 21 Ca 0.21 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 2o3k h GLU 21 Cb 0.31 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2o3k h GLU 21 CO -0.00 0.88 -0.22 0.00 -1.16 0.00 0.00 179.01 178.51 2o3k h ALA 22 N 0.97 1.52 -0.11 3.43 0.00 -0.23 -0.96 119.26 123.89 2o3k h ALA 22 Ca 0.16 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 2o3k h ALA 22 Cb 0.44 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2o3k h ALA 22 CO 0.01 0.35 -0.79 -0.07 0.00 0.00 0.00 179.25 178.75 2o3k h LEU 23 N 0.10 0.76 0.59 0.00 3.38 -0.34 -2.03 115.31 117.76 2o3k h LEU 23 Ca 0.02 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 2o3k h LEU 23 Cb 0.45 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2o3k h LEU 23 CO 0.03 1.29 -0.32 0.25 0.09 0.00 0.00 178.44 179.78 2o3k h LEU 24 N 0.42 -0.78 -1.80 1.67 6.46 -0.29 -1.32 115.31 119.67 2o3k h LEU 24 Ca -0.05 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 2o3k h LEU 24 Cb 1.40 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.53 2o3k h LEU 24 CO 0.15 -0.52 0.24 1.23 -0.62 0.00 0.00 178.44 178.92 2o3k h GLY 25 N -0.84 0.30 0.84 3.75 0.00 -1.23 -1.31 103.07 104.59 2o3k h GLY 25 Ca -0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2o3k h GLY 25 CO 0.10 0.08 0.04 -1.82 0.00 0.00 0.00 176.54 174.94 2o3k h TYR 26 N 0.25 0.33 -1.00 5.60 3.20 -0.88 -0.15 116.97 124.32 2o3k h TYR 26 Ca 0.15 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.00 2o3k h TYR 26 Cb 0.29 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 2o3k h TYR 26 CO -0.00 0.45 0.66 0.87 -1.64 0.00 0.00 178.16 178.50 2o3k h LYS 27 N 0.12 1.29 0.00 1.82 1.57 -0.19 -1.35 116.57 119.83 2o3k h LYS 27 Ca 0.06 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2o3k h LYS 27 Cb 0.29 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2o3k h LYS 27 CO 0.00 0.85 0.00 0.39 -0.57 0.00 0.00 179.45 180.13 2o3k n GLU 28 N -4.40 0.22 -0.33 3.15 1.02 -0.64 -4.85 120.64 114.81 2o3k n GLU 28 Ca 0.12 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2o3k n GLU 28 Cb 0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2o3k n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2o3k n GLY 29 N -0.16 0.76 0.00 0.62 0.00 -0.51 -4.89 105.19 101.02 2o3k n GLY 29 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2o3k n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o3k n GLY 30 N -2.19 2.31 3.66 -0.02 0.00 -0.09 -4.95 105.19 103.91 2o3k n GLY 30 Ca 0.00 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 2o3k n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o3k s VAL 31 N 1.00 4.08 -0.84 1.61 1.01 -1.26 -4.34 120.40 121.65 2o3k s VAL 31 Ca 0.00 1.32 -0.23 0.00 0.00 0.00 0.00 61.98 63.07 2o3k s VAL 31 Cb 0.00 -3.85 -0.15 0.00 0.00 0.00 0.00 36.38 32.38 2o3k s VAL 31 CO 0.00 -0.10 1.91 -0.81 0.00 0.00 0.00 175.10 176.10 2o3k n PRO 32 N 6.57 1.47 -3.66 2.72 -0.04 -1.26 -4.21 135.00 136.59 2o3k n PRO 32 Ca 0.14 -1.96 -0.21 0.00 -0.04 0.00 0.00 63.50 61.44 2o3k n PRO 32 Cb 0.44 -3.09 -0.18 0.00 -0.04 0.00 0.00 33.50 30.64 2o3k n PRO 32 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2o3k s ILE 33 N 6.48 -0.12 0.42 0.52 1.01 -1.26 -4.70 121.20 123.56 2o3k s ILE 33 Ca 0.60 0.32 0.04 0.00 0.00 0.00 0.00 60.65 61.62 2o3k s ILE 33 Cb 0.11 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.30 2o3k s ILE 33 CO 0.13 0.10 0.03 -0.83 0.00 0.00 0.00 174.94 174.38 2o3k s GLY 34 N 2.17 2.60 0.11 6.18 0.00 -1.25 -1.51 107.32 115.62 2o3k s GLY 34 Ca 0.04 -1.51 -0.26 0.00 0.00 0.00 0.00 44.72 43.00 2o3k s GLY 34 CO -0.04 -2.03 1.09 -0.32 0.00 0.00 0.00 173.10 171.79 2o3k s GLY 35 N -3.70 -0.17 0.03 0.20 0.00 -0.08 -1.99 107.32 101.61 2o3k s GLY 35 Ca 0.25 0.12 -0.27 0.00 0.00 0.00 0.00 44.72 44.82 2o3k s GLY 35 CO 0.12 1.12 0.63 0.00 0.00 0.00 0.00 173.10 174.98 2o3k s LEU 37 N -1.81 3.18 0.01 0.00 2.96 -0.34 -0.46 118.68 122.23 2o3k s LEU 37 Ca -0.06 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2o3k s LEU 37 Cb -0.00 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 2o3k s LEU 37 CO 0.01 0.23 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.56 2o3k s ILE 38 N 0.01 0.57 0.03 6.68 1.01 -0.93 -1.07 121.20 127.49 2o3k s ILE 38 Ca -0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 2o3k s ILE 38 Cb -0.13 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 2o3k s ILE 38 CO 0.03 -0.03 1.20 0.21 0.00 0.00 0.00 174.94 176.34 2o3k s ASN 39 N -0.68 7.08 0.46 3.58 3.84 -0.71 -1.21 114.94 127.29 2o3k s ASN 39 Ca -0.01 1.96 0.31 0.00 0.21 0.00 0.00 52.86 55.33 2o3k s ASN 39 Cb -0.05 -2.57 1.56 0.00 -0.55 0.00 0.00 41.25 39.63 2o3k s ASN 39 CO 0.00 -0.50 1.95 0.78 -2.79 0.00 0.00 177.10 176.55 2o3k h ASN 40 N 7.00 0.00 0.00 -4.21 2.35 -1.42 -1.71 115.58 117.59 2o3k h ASN 40 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2o3k h ASN 40 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2o3k h ASN 40 CO 0.83 0.00 -0.15 0.11 -1.65 0.00 0.00 177.43 176.56 2o3k h LYS 41 N 0.00 0.00 -0.01 0.81 6.56 -1.91 -3.42 116.57 118.60 2o3k h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2o3k h LYS 41 Cb 0.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 2o3k h LYS 41 CO 0.00 0.00 -0.35 -0.40 -2.06 0.00 0.00 179.45 176.64 2o3k n ASP 42 N -3.22 1.16 -0.48 0.86 5.68 -1.25 -4.95 116.55 114.34 2o3k n ASP 42 Ca -0.02 -0.94 -0.06 0.00 -0.50 0.00 0.00 54.79 53.26 2o3k n ASP 42 Cb 0.08 0.24 -0.03 0.00 -1.14 0.00 0.00 41.12 40.28 2o3k n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2o3k n GLY 43 N 1.38 0.85 3.76 6.12 0.00 -0.64 -5.00 105.19 111.66 2o3k n GLY 43 Ca 0.11 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 2o3k n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2o3k s SER 44 N -2.79 5.09 -0.37 1.61 0.01 -1.26 -4.75 113.70 111.24 2o3k s SER 44 Ca 0.00 2.15 -0.12 0.00 1.31 0.00 0.00 55.95 59.29 2o3k s SER 44 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2o3k s SER 44 CO 0.00 -1.65 0.22 -0.69 0.41 0.00 0.00 173.24 171.53 2o3k s VAL 45 N -2.06 4.82 0.09 3.43 1.01 -1.26 -1.75 120.40 124.69 2o3k s VAL 45 Ca 0.71 -0.67 0.14 0.00 0.00 0.00 0.00 61.98 62.16 2o3k s VAL 45 Cb -0.24 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2o3k s VAL 45 CO 0.38 -0.18 1.55 -0.07 0.00 0.00 0.00 175.10 176.78 2o3k h LEU 46 N 8.47 0.00 0.00 3.92 3.38 -1.48 -3.48 115.31 126.12 2o3k h LEU 46 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2o3k h LEU 46 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2o3k h LEU 46 CO 0.67 0.57 0.00 0.61 0.09 0.00 0.00 178.44 180.38 2o3k n GLY 47 N 0.71 0.93 3.27 0.83 0.00 -1.22 -4.38 105.19 105.34 2o3k n GLY 47 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 2o3k n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2o3k s ARG 48 N -2.00 0.88 -0.01 1.61 1.70 -1.26 -1.19 118.95 118.67 2o3k s ARG 48 Ca 0.00 -0.54 -0.29 0.00 -0.47 0.00 0.00 55.73 54.43 2o3k s ARG 48 Cb 0.00 0.38 0.10 0.00 -0.57 0.00 0.00 34.95 34.86 2o3k s ARG 48 CO 0.00 -0.30 1.28 0.20 -1.08 0.00 0.00 175.30 175.40 2o3k s GLY 49 N -2.22 -0.21 0.18 3.88 0.00 -0.56 -4.69 107.32 103.70 2o3k s GLY 49 Ca -0.03 0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.88 2o3k s GLY 49 CO -0.05 3.72 0.17 -2.38 0.00 0.00 0.00 173.10 174.56 2o3k s HIS 50 N -2.15 0.87 0.10 1.90 -3.43 -1.26 -0.90 115.29 110.42 2o3k s HIS 50 Ca 0.24 -1.17 -0.35 0.00 -0.80 0.00 0.00 55.06 52.98 2o3k s HIS 50 Cb 0.01 -0.38 -0.15 0.00 -1.43 0.00 0.00 32.58 30.63 2o3k s HIS 50 CO -0.01 -0.65 1.51 -1.71 -2.00 0.00 0.00 174.74 171.87 2o3k n ASN 51 N -0.22 2.52 -0.43 7.38 2.85 -0.57 -4.52 115.26 122.28 2o3k n ASN 51 Ca -0.02 1.09 0.06 0.00 -0.11 0.00 0.00 54.58 55.60 2o3k n ASN 51 Cb 0.64 -1.32 0.14 0.00 1.24 0.00 0.00 39.78 40.48 2o3k n ASN 51 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 2o3k n MET 52 N 3.33 2.60 -0.10 1.20 2.81 -0.26 -4.58 117.12 122.12 2o3k n MET 52 Ca 0.18 -2.23 -0.10 0.00 -1.81 0.00 0.00 57.70 53.75 2o3k n MET 52 Cb 0.24 -1.40 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 2o3k n MET 52 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2o3k h ARG 53 N 1.05 -0.33 -0.01 0.03 2.43 -1.71 0.55 114.38 116.39 2o3k h ARG 53 Ca 0.00 0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.97 2o3k h ARG 53 Cb 0.91 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2o3k h ARG 53 CO 0.06 -0.22 -0.93 0.74 -1.51 0.00 0.00 179.97 178.10 2o3k h PHE 54 N -0.34 0.64 0.00 2.20 -1.00 -1.86 0.51 116.94 117.09 2o3k h PHE 54 Ca 0.13 -0.35 -0.01 0.00 2.81 0.00 0.00 57.97 60.55 2o3k h PHE 54 Cb 0.58 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 2o3k h PHE 54 CO -0.57 1.16 -0.06 1.96 -1.61 0.00 0.00 178.31 179.19 2o3k h GLN 55 N 0.25 0.00 0.00 1.51 7.50 -1.78 -3.30 115.11 119.28 2o3k h GLN 55 Ca -0.08 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.07 2o3k h GLN 55 Cb 1.57 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.10 2o3k h GLN 55 CO 0.16 0.06 -0.13 1.63 -1.50 0.00 0.00 178.83 179.05 2o3k n LYS 56 N -3.24 0.13 -3.73 1.46 5.02 0.15 -4.99 118.16 112.95 2o3k n LYS 56 Ca -0.01 -0.69 -0.23 0.00 -2.02 0.00 0.00 58.31 55.36 2o3k n LYS 56 Cb 0.27 -0.53 0.03 0.00 -0.02 0.00 0.00 35.03 34.78 2o3k n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2o3k n GLY 57 N -0.04 -0.34 3.61 0.72 0.00 0.16 -4.94 105.19 104.36 2o3k n GLY 57 Ca 0.00 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2o3k n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2o3k s SER 58 N -4.13 5.65 0.00 1.61 0.15 0.10 -4.97 113.70 112.12 2o3k s SER 58 Ca 0.15 0.05 0.25 0.00 0.70 0.00 0.00 55.95 57.10 2o3k s SER 58 Cb -0.07 -1.98 0.50 0.00 -1.71 0.00 0.00 66.02 62.75 2o3k s SER 58 CO 0.81 0.12 1.40 0.00 1.20 0.00 0.00 173.24 176.78 2o3k n ALA 59 N 3.87 3.30 0.00 5.45 0.00 -1.26 -4.00 120.51 127.87 2o3k n ALA 59 Ca -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2o3k n ALA 59 Cb 0.52 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2o3k n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2o3k n THR 60 N -0.56 0.00 -1.45 0.00 -2.24 -1.26 -4.89 114.28 103.88 2o3k n THR 60 Ca 0.11 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.29 2o3k n THR 60 Cb 0.38 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 2o3k n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2o3k n LEU 61 N -1.06 8.24 -4.62 3.22 4.77 -1.26 -4.75 117.00 121.53 2o3k n LEU 61 Ca 0.00 -4.32 -0.29 0.00 -0.03 0.00 0.00 56.01 51.37 2o3k n LEU 61 Cb 0.00 -1.58 0.20 0.00 -2.33 0.00 0.00 43.42 39.71 2o3k n LEU 61 CO 0.00 1.81 0.61 -1.00 -1.33 0.00 0.00 177.39 177.48 2o3k s HIS 62 N 2.36 1.80 0.22 -1.77 3.76 -1.26 -1.11 115.29 119.29 2o3k s HIS 62 Ca 0.63 0.96 -0.08 0.00 -0.15 0.00 0.00 55.06 56.43 2o3k s HIS 62 Cb 0.17 -3.24 0.35 0.00 1.11 0.00 0.00 32.58 30.96 2o3k s HIS 62 CO -0.07 -3.24 1.72 0.78 -0.85 0.00 0.00 174.74 173.09 2o3k h GLY 63 N -2.15 0.92 1.13 -2.22 0.00 -1.79 0.15 103.07 99.12 2o3k h GLY 63 Ca -0.56 -0.09 -0.14 0.00 0.00 0.00 0.00 47.33 46.54 2o3k h GLY 63 CO 0.55 -0.08 -0.27 0.83 0.00 0.00 0.00 176.54 177.57 2o3k h GLU 64 N 0.37 0.98 -0.30 4.80 3.07 -1.89 -1.90 114.58 119.70 2o3k h GLU 64 Ca 0.35 -0.44 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 2o3k h GLU 64 Cb 0.50 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 2o3k h GLU 64 CO -0.38 1.11 -0.13 0.82 -1.40 0.00 0.00 179.01 179.03 2o3k h ILE 65 N 0.83 1.29 -0.95 3.13 1.08 -1.73 -2.44 117.51 118.71 2o3k h ILE 65 Ca 0.10 -1.22 0.03 0.00 -0.39 0.00 0.00 64.86 63.37 2o3k h ILE 65 Cb 0.85 1.44 -0.05 0.00 -3.07 0.00 0.00 36.82 35.99 2o3k h ILE 65 CO 0.08 0.39 0.62 -1.28 -0.69 0.00 0.00 178.15 177.27 2o3k h SER 66 N 0.38 1.06 -0.08 1.72 0.87 -0.66 -0.77 113.55 116.07 2o3k h SER 66 Ca 0.07 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2o3k h SER 66 Cb 0.65 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2o3k h SER 66 CO 0.04 0.74 0.05 0.74 -0.53 0.00 0.00 176.83 177.87 2o3k h THR 67 N 1.24 1.06 -0.81 2.23 2.02 -1.20 0.31 112.91 117.76 2o3k h THR 67 Ca 0.37 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 2o3k h THR 67 Cb -0.06 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 2o3k h THR 67 CO -0.10 0.05 0.44 -0.07 0.37 0.00 0.00 175.52 176.21 2o3k h LEU 68 N 0.06 1.01 -0.60 2.58 3.38 -1.13 -2.34 115.31 118.28 2o3k h LEU 68 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2o3k h LEU 68 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2o3k h LEU 68 CO -0.01 0.82 0.33 -0.08 0.09 0.00 0.00 178.44 179.60 2o3k h GLU 69 N 1.12 0.83 0.00 1.13 4.57 -0.81 -2.03 114.58 119.39 2o3k h GLU 69 Ca 0.28 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2o3k h GLU 69 Cb 0.04 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 2o3k h GLU 69 CO -0.04 0.62 0.00 0.09 -1.18 0.00 0.00 179.01 178.50 2o3k n ASN 70 N -4.59 0.51 0.21 1.04 3.02 0.07 -1.59 115.26 113.93 2o3k n ASN 70 Ca 0.04 0.65 0.11 0.00 -0.03 0.00 0.00 54.58 55.36 2o3k n ASN 70 Cb 0.08 -0.75 0.15 0.00 -0.61 0.00 0.00 39.78 38.65 2o3k n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2o3k n GLY 72 N 1.11 -1.25 3.72 0.00 0.00 -0.62 -4.84 105.19 103.32 2o3k n GLY 72 Ca 0.04 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 2o3k n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o3k s ARG 73 N -1.10 4.30 0.07 1.61 0.52 -1.26 -4.94 118.95 118.16 2o3k s ARG 73 Ca 0.00 2.15 0.01 0.00 -0.52 0.00 0.00 55.73 57.37 2o3k s ARG 73 Cb 0.00 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 2o3k s ARG 73 CO 0.00 -0.44 -0.05 -0.51 0.02 0.00 0.00 175.30 174.31 2o3k s LEU 74 N 0.78 2.46 0.27 2.53 1.43 -1.26 -5.13 118.68 119.76 2o3k s LEU 74 Ca 0.64 -0.91 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 2o3k s LEU 74 Cb -0.39 0.01 -0.09 0.00 0.03 0.00 0.00 46.19 45.75 2o3k s LEU 74 CO 0.33 -0.46 1.21 -1.61 0.23 0.00 0.00 176.35 176.05 2o3k s GLU 75 N -3.42 4.49 0.25 1.70 0.41 -1.26 -4.93 118.70 115.94 2o3k s GLU 75 Ca 0.06 1.99 -0.12 0.00 -0.41 0.00 0.00 54.97 56.49 2o3k s GLU 75 Cb 0.03 -3.16 0.34 0.00 -1.78 0.00 0.00 34.13 29.57 2o3k s GLU 75 CO -0.05 -0.03 1.58 0.78 -0.49 0.00 0.00 175.26 177.04 2o3k h GLY 76 N 4.11 0.49 0.13 -1.39 0.00 -2.00 -0.78 103.07 103.63 2o3k h GLY 76 Ca -0.47 0.34 0.23 0.00 0.00 0.00 0.00 47.33 47.43 2o3k h GLY 76 CO 0.69 -0.31 0.63 0.07 0.00 0.00 0.00 176.54 177.63 2o3k h LYS 77 N -0.02 0.39 -0.97 4.80 2.10 -1.94 -2.17 116.57 118.77 2o3k h LYS 77 Ca 0.40 -0.02 0.18 0.00 -2.00 0.00 0.00 60.65 59.21 2o3k h LYS 77 Cb 0.63 -0.09 -0.09 0.00 -0.90 0.00 0.00 32.23 31.78 2o3k h LYS 77 CO -0.90 0.26 0.61 0.28 -2.00 0.00 0.00 179.45 177.69 2o3k h VAL 78 N 0.40 0.73 -0.04 0.07 2.07 -1.51 -1.24 116.25 116.72 2o3k h VAL 78 Ca 0.52 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 67.68 2o3k h VAL 78 Cb 1.31 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2o3k h VAL 78 CO -0.21 0.12 -0.57 1.88 0.02 0.00 0.00 177.57 178.81 2o3k h TYR 79 N 0.67 0.15 0.00 1.57 0.05 -1.54 -3.34 116.97 114.52 2o3k h TYR 79 Ca 0.53 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.25 2o3k h TYR 79 Cb 0.94 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.65 2o3k h TYR 79 CO -0.00 0.66 0.37 0.87 -1.05 0.00 0.00 178.16 179.00 2o3k h LYS 80 N 0.09 0.00 -1.31 4.88 1.79 -1.32 -2.85 116.57 117.85 2o3k h LYS 80 Ca -0.00 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.00 2o3k h LYS 80 Cb 1.03 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.27 2o3k h LYS 80 CO 0.08 0.00 -0.99 -3.47 -1.08 0.00 0.00 179.45 173.99 2o3k n ASP 81 N -2.83 2.84 -4.32 0.86 2.03 -1.25 -4.59 116.55 109.28 2o3k n ASP 81 Ca -0.02 -3.17 -0.23 0.00 0.52 0.00 0.00 54.79 51.90 2o3k n ASP 81 Cb 0.41 -0.51 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 2o3k n ASP 81 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2o3k s THR 82 N -4.11 0.90 -0.06 5.18 -4.23 -1.08 -1.07 115.64 111.18 2o3k s THR 82 Ca 0.37 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2o3k s THR 82 Cb 0.42 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.68 2o3k s THR 82 CO -0.06 0.00 -0.07 -0.89 -0.54 0.00 0.00 174.62 173.05 2o3k s THR 83 N -3.30 0.76 -0.20 3.99 2.01 -0.35 -3.71 115.64 114.84 2o3k s THR 83 Ca 0.31 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.89 2o3k s THR 83 Cb 0.06 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 2o3k s THR 83 CO 0.15 0.28 0.46 -0.22 -0.69 0.00 0.00 174.62 174.59 2o3k s LEU 84 N 0.90 4.15 -0.20 4.42 2.96 -0.05 -2.19 118.68 128.67 2o3k s LEU 84 Ca -0.11 0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 54.31 2o3k s LEU 84 Cb -0.15 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 2o3k s LEU 84 CO 0.01 -0.13 0.08 -0.31 -1.32 0.00 0.00 176.35 174.67 2o3k s TYR 85 N 1.51 3.25 -0.01 5.38 2.02 0.39 -1.29 117.35 128.60 2o3k s TYR 85 Ca 0.21 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.97 2o3k s TYR 85 Cb -0.15 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.29 2o3k s TYR 85 CO 0.09 0.09 -0.02 -0.08 -1.57 0.00 0.00 175.55 174.06 2o3k s THR 86 N 0.61 0.23 -0.34 -0.71 -1.32 -0.35 -1.35 115.64 112.41 2o3k s THR 86 Ca 0.04 -0.05 0.26 0.00 -1.21 0.00 0.00 61.69 60.73 2o3k s THR 86 Cb -0.13 -0.25 0.29 0.00 -1.51 0.00 0.00 72.50 70.90 2o3k s THR 86 CO 0.01 0.10 1.79 0.71 -2.21 0.00 0.00 174.62 175.02 2o3k h THR 87 N 5.56 0.00 -3.92 5.08 1.35 -1.68 0.16 112.91 119.46 2o3k h THR 87 Ca -0.33 -0.33 -0.28 0.00 -0.55 0.00 0.00 66.41 64.92 2o3k h THR 87 Cb 1.17 1.15 -0.25 0.00 -1.73 0.00 0.00 68.15 68.50 2o3k h THR 87 CO 0.49 0.00 -0.74 -0.22 -0.25 0.00 0.00 175.52 174.81 2o3k s LEU 88 N -4.96 2.13 -0.06 3.87 2.96 -1.26 -2.73 118.68 118.64 2o3k s LEU 88 Ca 0.04 -0.31 -0.36 0.00 -0.22 0.00 0.00 54.13 53.28 2o3k s LEU 88 Cb 0.09 -0.15 -0.14 0.00 0.50 0.00 0.00 46.19 46.49 2o3k s LEU 88 CO 0.45 -0.09 1.69 -0.24 -1.32 0.00 0.00 176.35 176.83 2o3k n SER 89 N 2.23 2.77 -4.74 3.68 2.88 -0.83 -4.81 113.62 114.79 2o3k n SER 89 Ca -0.18 1.05 -0.40 0.00 -1.33 0.00 0.00 58.87 58.01 2o3k n SER 89 Cb 0.57 -1.29 0.02 0.00 -0.75 0.00 0.00 64.21 62.76 2o3k n SER 89 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2o3k n PRO 90 N 4.91 2.05 -2.06 -1.46 -0.04 -1.26 -4.72 135.00 132.42 2o3k n PRO 90 Ca 0.22 0.73 -0.28 0.00 -0.04 0.00 0.00 63.50 64.13 2o3k n PRO 90 Cb 0.23 -2.55 0.14 0.00 -0.04 0.00 0.00 33.50 31.28 2o3k n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2o3k h GLU 92 N -1.21 0.19 0.12 0.00 3.07 -1.96 0.10 114.58 114.90 2o3k h GLU 92 Ca -0.44 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.40 2o3k h GLU 92 Cb 1.27 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 2o3k h GLU 92 CO 0.47 0.19 -0.06 1.98 -1.40 0.00 0.00 179.01 180.19 2o3k h MET 93 N 0.19 -0.16 -0.13 2.33 4.05 -1.99 -1.02 114.93 118.20 2o3k h MET 93 Ca 0.05 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.43 2o3k h MET 93 Cb 0.09 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 2o3k h MET 93 CO -0.00 0.19 -0.17 0.00 0.23 0.00 0.00 176.91 177.16 2o3k h THR 95 N 0.19 1.22 -0.69 0.00 2.02 -0.72 -2.62 112.91 112.31 2o3k h THR 95 Ca 0.04 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.47 2o3k h THR 95 Cb 0.42 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2o3k h THR 95 CO 0.03 0.26 0.46 1.23 0.37 0.00 0.00 175.52 177.87 2o3k h GLY 96 N 0.49 0.98 0.94 2.16 0.00 -0.52 -1.70 103.07 105.40 2o3k h GLY 96 Ca 0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2o3k h GLY 96 CO -0.00 0.35 0.11 0.00 0.00 0.00 0.00 176.54 177.00 2o3k h ALA 97 N 1.57 0.54 -0.62 3.60 0.00 -1.16 0.16 119.26 123.35 2o3k h ALA 97 Ca 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2o3k h ALA 97 Cb -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2o3k h ALA 97 CO -0.06 0.20 0.39 0.82 0.00 0.00 0.00 179.25 180.61 2o3k h ILE 98 N 0.52 1.17 -0.34 0.00 2.04 -1.07 -2.19 117.51 117.64 2o3k h ILE 98 Ca 0.13 -0.35 -0.14 0.00 1.00 0.00 0.00 64.86 65.50 2o3k h ILE 98 Cb 0.29 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2o3k h ILE 98 CO -0.00 0.17 -0.35 0.40 0.00 0.00 0.00 178.15 178.37 2o3k h ILE 99 N 0.84 1.28 -0.30 -0.67 2.04 -1.09 -1.80 117.51 117.81 2o3k h ILE 99 Ca 0.22 -1.51 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 2o3k h ILE 99 Cb -0.06 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2o3k h ILE 99 CO -0.05 0.49 0.00 -0.03 0.00 0.00 0.00 178.15 178.57 2o3k h MET 100 N 0.64 0.52 0.00 2.37 4.05 -0.77 -3.00 114.93 118.75 2o3k h MET 100 Ca 0.06 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2o3k h MET 100 Cb 0.89 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2o3k h MET 100 CO 0.08 0.66 -0.02 0.66 0.23 0.00 0.00 176.91 178.53 2o3k n TYR 101 N -4.58 0.16 -0.98 1.39 4.01 -0.84 -4.93 117.16 111.40 2o3k n TYR 101 Ca -0.03 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2o3k n TYR 101 Cb 0.25 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 2o3k n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2o3k n GLY 102 N 1.47 0.40 3.58 2.72 0.00 -0.85 -4.49 105.19 108.02 2o3k n GLY 102 Ca 0.07 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 2o3k n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o3k s ILE 103 N -2.00 3.33 0.11 -0.61 1.01 -0.73 -4.39 121.20 117.91 2o3k s ILE 103 Ca 0.00 0.28 0.33 0.00 0.00 0.00 0.00 60.65 61.27 2o3k s ILE 103 Cb 0.00 -3.58 0.36 0.00 0.01 0.00 0.00 42.46 39.25 2o3k s ILE 103 CO 0.00 -0.46 2.00 1.55 0.00 0.00 0.00 174.94 178.03 2o3k h PRO 104 N 14.68 0.00 -3.93 2.79 0.13 -1.80 -3.44 132.00 140.42 2o3k h PRO 104 Ca -0.31 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.50 2o3k h PRO 104 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.00 2o3k h PRO 104 CO 1.10 0.00 -0.75 0.50 -0.23 0.00 0.00 178.00 178.62 2o3k s ARG 105 N -3.72 0.34 -0.11 0.86 3.52 -1.24 -0.82 118.95 117.77 2o3k s ARG 105 Ca -0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 55.73 55.56 2o3k s ARG 105 Cb 0.10 -0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.10 2o3k s ARG 105 CO 0.43 -0.03 -0.08 0.00 -0.81 0.00 0.00 175.30 174.81 2o3k s VAL 107 N 1.67 4.29 -0.14 0.00 1.01 -0.41 -1.19 120.40 125.62 2o3k s VAL 107 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2o3k s VAL 107 Cb -0.13 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2o3k s VAL 107 CO -0.08 0.35 0.00 -0.63 0.00 0.00 0.00 175.10 174.75 2o3k s ILE 108 N 1.51 4.28 0.06 2.22 1.01 0.24 -1.21 121.20 129.32 2o3k s ILE 108 Ca 0.06 -0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 2o3k s ILE 108 Cb -0.15 -2.87 -0.14 0.00 0.01 0.00 0.00 42.46 39.31 2o3k s ILE 108 CO 0.03 0.52 1.54 1.23 0.00 0.00 0.00 174.94 178.26 2o3k h GLY 109 N 6.25 0.15 -3.63 6.18 0.00 -0.73 0.20 103.07 111.49 2o3k h GLY 109 Ca -0.38 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2o3k h GLY 109 CO 0.63 0.09 0.23 -1.83 0.00 0.00 0.00 176.54 175.65 2o3k s GLU 110 N -5.27 1.10 -0.08 4.80 4.04 -1.10 0.61 118.70 122.80 2o3k s GLU 110 Ca -0.14 -0.04 0.16 0.00 0.04 0.00 0.00 54.97 54.99 2o3k s GLU 110 Cb 0.05 0.51 0.32 0.00 0.02 0.00 0.00 34.13 35.04 2o3k s GLU 110 CO 0.69 -0.41 1.15 0.27 -1.84 0.00 0.00 175.26 175.12 2o3k n ASN 111 N 0.38 1.20 0.02 0.83 0.23 -1.26 -1.97 115.26 114.69 2o3k n ASN 111 Ca -0.17 -2.70 -0.22 0.00 -0.53 0.00 0.00 54.58 50.96 2o3k n ASN 111 Cb 0.60 -0.36 -0.14 0.00 -2.08 0.00 0.00 39.78 37.80 2o3k n ASN 111 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2o3k h VAL 112 N 4.28 0.89 0.00 3.53 2.07 -1.99 -3.38 116.25 121.66 2o3k h VAL 112 Ca -0.09 -2.41 -0.18 0.00 0.82 0.00 0.00 66.70 64.84 2o3k h VAL 112 Cb 1.41 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.81 2o3k h VAL 112 CO 0.04 0.78 -0.87 0.78 0.02 0.00 0.00 177.57 178.32 2o3k h ASN 113 N -0.12 0.00 -4.03 0.57 -0.26 -1.93 -3.46 115.58 106.35 2o3k h ASN 113 Ca -0.35 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.34 2o3k h ASN 113 Cb 1.91 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 38.96 2o3k h ASN 113 CO 0.09 0.87 0.08 0.12 -1.06 0.00 0.00 177.43 177.53 2o3k s PHE 114 N -2.86 -0.74 -0.24 1.19 5.36 -1.26 -5.11 117.98 114.32 2o3k s PHE 114 Ca 0.01 1.78 -0.15 0.00 -0.96 0.00 0.00 56.93 57.61 2o3k s PHE 114 Cb 0.10 0.26 0.07 0.00 -0.34 0.00 0.00 43.02 43.11 2o3k s PHE 114 CO 0.80 -0.37 0.61 0.21 -1.46 0.00 0.00 175.22 175.01 2o3k s LYS 115 N 0.29 0.63 0.48 10.12 2.20 -1.26 -4.17 119.74 128.02 2o3k s LYS 115 Ca -0.00 1.06 0.05 0.00 -0.36 0.00 0.00 55.97 56.71 2o3k s LYS 115 Cb -0.05 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 2o3k s LYS 115 CO 0.01 -0.14 0.16 -1.54 -0.36 0.00 0.00 175.35 173.49 2o3k s SER 116 N 1.36 4.33 0.06 1.43 1.04 -1.26 -4.98 113.70 115.67 2o3k s SER 116 Ca -0.08 -1.33 0.10 0.00 0.48 0.00 0.00 55.95 55.12 2o3k s SER 116 Cb -0.06 0.07 0.45 0.00 0.10 0.00 0.00 66.02 66.59 2o3k s SER 116 CO -0.15 -0.77 1.32 0.29 0.98 0.00 0.00 173.24 174.91 2o3k n LYS 117 N -1.35 0.03 -0.32 4.02 5.02 -1.26 -3.02 118.16 121.29 2o3k n LYS 117 Ca -0.07 0.41 -0.03 0.00 -2.02 0.00 0.00 58.31 56.59 2o3k n LYS 117 Cb 0.65 -1.58 0.09 0.00 -0.02 0.00 0.00 35.03 34.18 2o3k n LYS 117 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2o3k h GLY 118 N 1.22 1.22 0.47 0.72 0.00 -1.88 -0.51 103.07 104.31 2o3k h GLY 118 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 46.95 2o3k h GLY 118 CO 0.00 0.41 0.04 -2.09 0.00 0.00 0.00 176.54 174.91 2o3k h GLU 119 N 1.13 0.15 -0.18 4.80 4.81 -1.74 0.47 114.58 124.02 2o3k h GLU 119 Ca 0.32 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.37 2o3k h GLU 119 Cb -0.09 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 2o3k h GLU 119 CO -0.08 0.10 -0.59 -0.22 -0.73 0.00 0.00 179.01 177.49 2o3k h LYS 120 N 0.16 0.60 -0.87 1.92 1.63 -1.75 -3.18 116.57 115.08 2o3k h LYS 120 Ca 0.19 -0.40 -0.00 0.00 -0.85 0.00 0.00 60.65 59.58 2o3k h LYS 120 Cb 0.24 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.88 2o3k h LYS 120 CO -0.27 1.01 0.53 -0.92 -3.45 0.00 0.00 179.45 176.35 2o3k h TYR 121 N 0.45 1.15 -0.36 1.91 3.20 -0.32 -1.06 116.97 121.94 2o3k h TYR 121 Ca -0.00 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2o3k h TYR 121 Cb 1.15 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 2o3k h TYR 121 CO 0.05 0.76 0.15 -0.07 -1.64 0.00 0.00 178.16 177.42 2o3k h LEU 122 N 1.20 0.20 -0.74 2.82 3.38 -0.91 -0.28 115.31 120.98 2o3k h LEU 122 Ca 0.31 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 2o3k h LEU 122 Cb -0.05 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2o3k h LEU 122 CO -0.06 0.16 0.36 1.56 0.09 0.00 0.00 178.44 180.55 2o3k h GLN 123 N 0.32 1.07 0.00 1.13 4.20 -1.44 -0.59 115.11 119.80 2o3k h GLN 123 Ca 0.16 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2o3k h GLN 123 Cb 0.10 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2o3k h GLN 123 CO -0.14 0.83 -0.10 1.15 -0.67 0.00 0.00 178.83 179.90 2o3k h THR 124 N 1.04 1.06 -0.37 -0.54 2.02 -0.60 -2.38 112.91 113.14 2o3k h THR 124 Ca 0.26 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2o3k h THR 124 Cb 0.11 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2o3k h THR 124 CO -0.03 0.10 0.00 0.54 0.37 0.00 0.00 175.52 176.50 2o3k n ARG 125 N -4.40 3.00 -1.15 6.66 5.12 -0.17 -4.89 116.66 120.83 2o3k n ARG 125 Ca -0.03 -1.82 0.00 0.00 -1.93 0.00 0.00 57.85 54.07 2o3k n ARG 125 Cb 0.18 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 2o3k n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2o3k n GLY 126 N 0.60 0.41 3.72 -0.13 0.00 -0.89 -5.05 105.19 103.85 2o3k n GLY 126 Ca 0.16 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 2o3k n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o3k s HIS 127 N -2.00 3.15 -0.09 1.61 3.76 -0.30 -5.00 115.29 116.42 2o3k s HIS 127 Ca 0.00 0.12 -0.20 0.00 -0.15 0.00 0.00 55.06 54.83 2o3k s HIS 127 Cb 0.00 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 2o3k s HIS 127 CO 0.00 0.49 0.56 -1.21 -0.85 0.00 0.00 174.74 173.74 2o3k s GLU 128 N -1.67 4.37 -0.08 1.40 2.02 -0.00 -3.73 118.70 121.01 2o3k s GLU 128 Ca 0.21 0.62 0.04 0.00 0.02 0.00 0.00 54.97 55.86 2o3k s GLU 128 Cb -0.12 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.69 2o3k s GLU 128 CO 0.12 0.15 -0.19 0.08 0.02 0.00 0.00 175.26 175.43 2o3k s VAL 129 N 0.60 1.68 -0.10 2.63 1.01 -1.26 -1.09 120.40 123.88 2o3k s VAL 129 Ca 0.30 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2o3k s VAL 129 Cb -0.16 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.76 2o3k s VAL 129 CO 0.14 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 174.88 2o3k s VAL 130 N 0.40 1.41 -0.29 2.92 1.01 -0.33 -2.98 120.40 122.54 2o3k s VAL 130 Ca -0.15 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 2o3k s VAL 130 Cb -0.16 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 2o3k s VAL 130 CO 0.06 0.42 0.09 -0.69 0.00 0.00 0.00 175.10 174.99 2o3k s VAL 131 N 0.93 4.16 -0.18 2.92 1.01 -1.26 0.82 120.40 128.79 2o3k s VAL 131 Ca -0.08 -0.52 0.17 0.00 0.00 0.00 0.00 61.98 61.55 2o3k s VAL 131 Cb -0.15 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.16 2o3k s VAL 131 CO -0.00 0.14 1.24 0.58 0.00 0.00 0.00 175.10 177.05 2o3k h VAL 132 N 5.75 0.58 -5.39 2.92 2.07 -0.72 -3.49 116.25 117.97 2o3k h VAL 132 Ca -0.33 -1.90 -0.32 0.00 0.82 0.00 0.00 66.70 64.96 2o3k h VAL 132 Cb 1.14 2.17 0.15 0.00 -1.52 0.00 0.00 31.29 33.23 2o3k h VAL 132 CO 0.60 0.33 -0.69 -0.67 0.02 0.00 0.00 177.57 177.17 2o3k n ASP 133 N -3.06 -3.17 -4.65 0.57 4.64 0.11 -4.92 116.55 106.07 2o3k n ASP 133 Ca -0.01 -0.55 -0.43 0.00 -1.38 0.00 0.00 54.79 52.42 2o3k n ASP 133 Cb 0.73 -4.74 -0.03 0.00 -1.04 0.00 0.00 41.12 36.04 2o3k n ASP 133 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2o3k s ASP 134 N -3.98 6.69 0.34 1.67 -1.08 0.20 -4.92 116.67 115.59 2o3k s ASP 134 Ca 0.15 1.94 0.12 0.00 -0.52 0.00 0.00 52.55 54.24 2o3k s ASP 134 Cb -0.07 -2.53 0.61 0.00 -1.46 0.00 0.00 42.92 39.46 2o3k s ASP 134 CO 0.67 -0.95 1.76 -0.33 0.52 0.00 0.00 175.17 176.85 2o3k h GLU 135 N 9.38 0.02 -0.11 4.34 4.39 -1.91 -1.69 114.58 129.02 2o3k h GLU 135 Ca -0.34 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 2o3k h GLU 135 Cb 1.15 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2o3k h GLU 135 CO 0.97 0.46 0.05 0.00 -1.16 0.00 0.00 179.01 179.32 2o3k h ARG 136 N 0.02 0.15 0.32 2.33 3.08 -1.98 -0.48 114.38 117.82 2o3k h ARG 136 Ca -0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2o3k h ARG 136 Cb 0.78 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2o3k h ARG 136 CO 0.06 0.22 -0.15 0.00 -1.07 0.00 0.00 179.97 179.03 2o3k h LYS 138 N -0.51 0.32 -0.54 0.00 3.64 -1.26 -0.53 116.57 117.68 2o3k h LYS 138 Ca -0.04 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2o3k h LYS 138 Cb 0.38 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2o3k h LYS 138 CO 0.07 0.21 0.16 -0.22 -2.27 0.00 0.00 179.45 177.40 2o3k h LYS 139 N 0.33 0.85 -0.25 1.90 3.64 -0.99 0.10 116.57 122.16 2o3k h LYS 139 Ca 0.27 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2o3k h LYS 139 Cb 0.34 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2o3k h LYS 139 CO -0.30 0.78 0.04 1.25 -2.27 0.00 0.00 179.45 178.95 2o3k h LEU 140 N 0.75 0.39 -0.73 5.20 5.85 -0.61 -2.28 115.31 123.88 2o3k h LEU 140 Ca 0.17 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 2o3k h LEU 140 Cb 0.30 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2o3k h LEU 140 CO -0.00 0.55 -0.32 -0.03 -0.34 0.00 0.00 178.44 178.29 2o3k h MET 141 N 0.22 0.60 -0.97 1.25 4.05 -1.08 -2.71 114.93 116.29 2o3k h MET 141 Ca 0.07 -0.27 0.03 0.00 -0.28 0.00 0.00 59.70 59.25 2o3k h MET 141 Cb 0.33 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.06 2o3k h MET 141 CO 0.00 0.85 0.64 -0.22 0.23 0.00 0.00 176.91 178.41 2o3k h LYS 142 N 0.51 1.22 -0.19 0.39 1.63 -0.83 -2.23 116.57 117.07 2o3k h LYS 142 Ca 0.06 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2o3k h LYS 142 Cb 0.81 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2o3k h LYS 142 CO 0.07 0.81 -0.00 0.37 -3.45 0.00 0.00 179.45 177.24 2o3k h GLN 143 N 1.26 0.34 -0.47 1.90 4.15 -1.17 -2.78 115.11 118.34 2o3k h GLN 143 Ca 0.37 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.73 2o3k h GLN 143 Cb -0.06 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 2o3k h GLN 143 CO -0.11 0.55 0.21 0.35 -1.93 0.00 0.00 178.83 177.90 2o3k h PHE 144 N 0.09 0.38 -0.42 3.99 3.57 -1.18 -1.40 116.94 121.98 2o3k h PHE 144 Ca 0.05 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2o3k h PHE 144 Cb 0.40 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 2o3k h PHE 144 CO 0.04 0.17 0.21 0.82 -2.23 0.00 0.00 178.31 177.32 2o3k h ILE 145 N 0.42 0.98 -0.36 1.41 1.08 -1.39 0.15 117.51 119.80 2o3k h ILE 145 Ca 0.21 -0.15 -0.09 0.00 -0.39 0.00 0.00 64.86 64.45 2o3k h ILE 145 Cb 0.15 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 2o3k h ILE 145 CO -0.17 0.08 -0.13 0.44 -0.69 0.00 0.00 178.15 177.67 2o3k h ASP 146 N 0.43 0.63 0.75 1.72 3.45 -1.18 -2.45 116.42 119.76 2o3k h ASP 146 Ca 0.18 -0.18 -0.15 0.00 0.43 0.00 0.00 57.03 57.30 2o3k h ASP 146 Cb 0.08 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 2o3k h ASP 146 CO -0.12 0.79 -1.36 1.05 -1.57 0.00 0.00 179.24 178.03 2o3k h GLU 147 N 0.58 0.00 -1.65 3.56 4.11 -0.96 -3.41 114.58 116.81 2o3k h GLU 147 Ca 0.10 0.00 -0.44 0.00 0.07 0.00 0.00 59.36 59.09 2o3k h GLU 147 Cb 0.57 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.42 2o3k h GLU 147 CO 0.04 0.27 -1.18 0.54 0.07 0.00 0.00 179.01 178.75 2o3k n ARG 148 N -2.88 1.02 -0.28 1.06 1.74 0.48 -4.99 116.66 112.81 2o3k n ARG 148 Ca -0.09 -3.31 0.08 0.00 -0.77 0.00 0.00 57.85 53.77 2o3k n ARG 148 Cb 0.82 -1.55 0.23 0.00 -1.02 0.00 0.00 32.46 30.94 2o3k n ARG 148 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2o3k h PRO 149 N 2.99 0.40 -0.14 5.56 0.13 -1.60 -1.74 132.00 137.60 2o3k h PRO 149 Ca 0.03 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 2o3k h PRO 149 Cb 1.04 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 2o3k h PRO 149 CO 0.49 0.27 -0.26 1.96 -0.23 0.00 0.00 178.00 180.22 2o3k h GLN 150 N 0.41 0.25 -0.19 0.86 1.08 -1.94 -0.50 115.11 115.08 2o3k h GLN 150 Ca 0.47 -0.08 -0.15 0.00 -1.45 0.00 0.00 58.65 57.43 2o3k h GLN 150 Cb 0.80 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 2o3k h GLN 150 CO -0.47 0.50 -0.52 -0.44 -0.95 0.00 0.00 178.83 176.95 2o3k h ASP 151 N 0.22 0.59 0.02 1.46 3.32 -1.74 -2.50 116.42 117.79 2o3k h ASP 151 Ca 0.04 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 2o3k h ASP 151 Cb 0.59 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2o3k h ASP 151 CO 0.04 1.00 -0.01 -0.25 -1.72 0.00 0.00 179.24 178.30 2o3k h TRP 152 N 0.41 -0.03 -0.64 4.55 -0.00 -1.09 -2.50 115.95 116.66 2o3k h TRP 152 Ca 0.01 -0.00 0.13 0.00 -0.00 0.00 0.00 58.89 59.04 2o3k h TRP 152 Cb 1.05 0.01 -0.10 0.00 -0.00 0.00 0.00 29.16 30.12 2o3k h TRP 152 CO 0.04 0.34 0.04 0.74 -0.00 0.00 0.00 178.44 179.60 2o3k h PHE 153 N -0.39 0.04 -0.65 2.65 0.04 -1.07 0.43 116.94 117.98 2o3k h PHE 153 Ca -0.00 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.82 2o3k h PHE 153 Cb 0.37 0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 2o3k h PHE 153 CO 0.05 -0.14 0.43 1.49 -0.60 0.00 0.00 178.31 179.54 2o3k h GLU 154 N 0.16 0.85 0.00 1.51 4.81 -1.37 0.13 114.58 120.67 2o3k h GLU 154 Ca 0.34 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2o3k h GLU 154 Cb 0.55 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2o3k h GLU 154 CO -0.51 0.56 -0.10 0.22 -0.73 0.00 0.00 179.01 178.45 2o3k h ASP 155 N 0.88 0.00 -0.30 1.04 -0.00 -0.45 -2.45 116.42 115.15 2o3k h ASP 155 Ca 0.24 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 57.18 2o3k h ASP 155 Cb -0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.18 2o3k h ASP 155 CO -0.05 0.10 -0.03 2.30 -0.00 0.00 0.00 179.24 181.55 2o3k n ILE 156 N -3.95 2.40 -3.45 2.25 -5.35 -0.76 -4.98 119.36 105.52 2o3k n ILE 156 Ca -0.02 -2.33 -0.25 0.00 -0.27 0.00 0.00 62.75 59.88 2o3k n ILE 156 Cb 0.19 -0.29 0.04 0.00 -1.74 0.00 0.00 39.64 37.84 2o3k n ILE 156 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o3k n GLY 157 N -0.89 -0.52 0.60 3.28 0.00 -0.92 -5.06 105.19 101.68 2o3k n GLY 157 Ca 0.27 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.54 2o3k n GLY 157 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50