#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9x s THR 22 N 0.00 2.01 0.46 1.96 2.01 -1.26 -4.79 115.64 116.02 2e9x s THR 22 Ca 0.00 0.00 0.12 0.00 0.31 0.00 0.00 61.69 62.12 2e9x s THR 22 Cb 0.00 -3.00 0.28 0.00 0.01 0.00 0.00 72.50 69.79 2e9x s THR 22 CO 0.00 -0.00 2.07 -0.65 -0.69 0.00 0.00 174.62 175.35 2e9x h PRO 23 N 0.55 0.31 -0.44 4.92 0.11 -2.02 0.58 132.00 136.01 2e9x h PRO 23 Ca -0.51 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 2e9x h PRO 23 Cb 1.34 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2e9x h PRO 23 CO 0.53 0.21 -0.17 0.00 -0.21 0.00 0.00 178.00 178.36 2e9x h ALA 24 N 1.82 0.61 -0.09 -0.75 0.00 -2.00 -2.26 119.26 116.58 2e9x h ALA 24 Ca 0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2e9x h ALA 24 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2e9x h ALA 24 CO -0.03 0.55 -0.37 0.93 0.00 0.00 0.00 179.25 180.34 2e9x h GLU 25 N 0.71 0.18 -0.06 0.00 5.08 -1.55 -2.12 114.58 116.82 2e9x h GLU 25 Ca 0.10 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2e9x h GLU 25 Cb 0.73 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2e9x h GLU 25 CO 0.06 0.53 0.03 1.25 -1.00 0.00 0.00 179.01 179.88 2e9x h LEU 26 N 0.16 0.08 -1.40 1.33 5.85 -0.60 -0.57 115.31 120.16 2e9x h LEU 26 Ca 0.02 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 2e9x h LEU 26 Cb 0.73 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2e9x h LEU 26 CO 0.05 0.15 -0.26 0.40 -0.34 0.00 0.00 178.44 178.45 2e9x h ILE 27 N 0.00 1.20 -0.28 4.05 1.08 -1.25 -1.23 117.51 121.08 2e9x h ILE 27 Ca 0.02 -0.96 -0.10 0.00 -0.39 0.00 0.00 64.86 63.43 2e9x h ILE 27 Cb 0.09 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 2e9x h ILE 27 CO -0.00 0.28 -0.21 -0.08 -0.69 0.00 0.00 178.15 177.45 2e9x h GLU 28 N 0.06 0.63 -0.03 2.37 4.57 -0.92 -1.99 114.58 119.27 2e9x h GLU 28 Ca 0.01 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.78 2e9x h GLU 28 Cb 0.49 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2e9x h GLU 28 CO 0.04 0.90 -0.46 0.00 -1.18 0.00 0.00 179.01 178.30 2e9x h ARG 29 N 0.36 0.06 -0.08 1.92 3.08 -0.77 -1.95 114.38 117.01 2e9x h ARG 29 Ca 0.05 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2e9x h ARG 29 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2e9x h ARG 29 CO 0.05 0.51 0.03 1.25 -1.07 0.00 0.00 179.97 180.75 2e9x h LEU 30 N 0.05 0.11 -1.32 3.04 5.85 -1.07 -1.56 115.31 120.41 2e9x h LEU 30 Ca 0.00 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 2e9x h LEU 30 Cb 0.84 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2e9x h LEU 30 CO 0.06 0.24 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.79 2e9x h GLU 31 N -0.03 0.09 -0.22 1.25 5.08 -1.18 -0.25 114.58 119.32 2e9x h GLU 31 Ca 0.03 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2e9x h GLU 31 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2e9x h GLU 31 CO -0.00 0.37 -0.04 1.96 -1.00 0.00 0.00 179.01 180.30 2e9x h GLN 32 N 0.08 0.42 -0.65 2.33 4.20 -1.13 -2.05 115.11 118.31 2e9x h GLN 32 Ca 0.01 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 2e9x h GLN 32 Cb 0.55 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 2e9x h GLN 32 CO 0.04 0.64 0.09 0.00 -0.67 0.00 0.00 178.83 178.94 2e9x h ALA 33 N 0.76 0.93 -0.56 3.87 0.00 -0.95 -0.75 119.26 122.56 2e9x h ALA 33 Ca 0.06 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2e9x h ALA 33 Cb 0.48 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2e9x h ALA 33 CO 0.02 0.66 0.29 2.35 0.00 0.00 0.00 179.25 182.57 2e9x h TRP 34 N 1.01 0.52 -0.11 0.00 7.01 -0.93 0.23 115.95 123.69 2e9x h TRP 34 Ca 0.20 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.11 2e9x h TRP 34 Cb 0.45 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 2e9x h TRP 34 CO 0.03 0.25 -0.37 0.52 -2.79 0.00 0.00 178.44 176.08 2e9x h MET 35 N 0.55 0.45 -0.86 2.65 2.86 -1.15 -2.59 114.93 116.83 2e9x h MET 35 Ca 0.25 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2e9x h MET 35 Cb 0.16 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 2e9x h MET 35 CO -0.17 0.96 0.57 -0.91 1.06 0.00 0.00 176.91 178.41 2e9x h ASN 36 N 0.03 0.98 -0.23 1.22 2.35 -0.93 -2.40 115.58 116.61 2e9x h ASN 36 Ca -0.01 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 2e9x h ASN 36 Cb 1.00 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 2e9x h ASN 36 CO 0.08 0.70 -0.18 -0.08 -1.65 0.00 0.00 177.43 176.30 2e9x h GLU 37 N 1.16 0.66 -0.68 0.81 4.57 -0.99 -0.12 114.58 119.99 2e9x h GLU 37 Ca 0.32 -0.24 0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2e9x h GLU 37 Cb -0.11 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.38 2e9x h GLU 37 CO -0.08 0.81 0.41 0.87 -1.18 0.00 0.00 179.01 179.84 2e9x h LYS 38 N 0.59 0.77 0.00 1.92 1.57 -1.02 -3.31 116.57 117.10 2e9x h LYS 38 Ca 0.09 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.62 2e9x h LYS 38 Cb 0.64 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 2e9x h LYS 38 CO 0.05 0.51 -2.06 1.19 -0.57 0.00 0.00 179.45 178.57 2e9x n PHE 39 N -4.71 0.21 -1.94 -1.35 3.01 -1.08 -4.95 117.46 106.66 2e9x n PHE 39 Ca 0.08 0.07 -0.41 0.00 1.01 0.00 0.00 57.45 58.19 2e9x n PHE 39 Cb 0.11 -0.85 -0.02 0.00 -0.01 0.00 0.00 39.48 38.71 2e9x n PHE 39 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2e9x s ALA 40 N -2.92 3.66 -1.14 4.37 0.00 -0.07 -4.89 121.76 120.77 2e9x s ALA 40 Ca -0.08 1.41 0.21 0.00 0.00 0.00 0.00 51.96 53.50 2e9x s ALA 40 Cb 0.09 -3.59 0.94 0.00 0.00 0.00 0.00 23.12 20.57 2e9x s ALA 40 CO 0.85 -0.82 1.67 -0.35 0.00 0.00 0.00 175.76 177.11 2e9x n PRO 41 N 2.23 0.10 -4.41 0.00 -0.04 -1.26 -4.79 135.00 126.82 2e9x n PRO 41 Ca 0.07 0.13 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 2e9x n PRO 41 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 2e9x n PRO 41 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2e9x s GLU 42 N -2.86 1.51 0.05 0.54 -1.05 -1.26 -4.36 118.70 111.26 2e9x s GLU 42 Ca 0.13 -1.75 -0.31 0.00 -0.15 0.00 0.00 54.97 52.90 2e9x s GLU 42 Cb 0.14 -1.13 -0.06 0.00 -0.44 0.00 0.00 34.13 32.64 2e9x s GLU 42 CO 0.36 0.06 1.34 -1.17 0.95 0.00 0.00 175.26 176.79 2e9x s LEU 43 N -3.42 4.34 0.90 1.83 2.96 -1.26 -5.01 118.68 119.02 2e9x s LEU 43 Ca 0.28 2.14 -0.10 0.00 -0.22 0.00 0.00 54.13 56.23 2e9x s LEU 43 Cb 0.03 -3.57 0.20 0.00 0.50 0.00 0.00 46.19 43.34 2e9x s LEU 43 CO 0.11 -0.63 1.23 -0.76 -1.32 0.00 0.00 176.35 174.98 2e9x s LEU 44 N 1.66 2.83 0.48 -0.68 1.43 -1.26 -4.99 118.68 118.15 2e9x s LEU 44 Ca 0.62 -0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 2e9x s LEU 44 Cb -0.32 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 2e9x s LEU 44 CO 0.28 -2.56 1.37 -1.61 0.23 0.00 0.00 176.35 174.07 2e9x s GLU 45 N -5.66 3.50 0.36 1.70 2.02 -1.26 -4.65 118.70 114.71 2e9x s GLU 45 Ca 0.73 2.29 -0.27 0.00 0.02 0.00 0.00 54.97 57.74 2e9x s GLU 45 Cb -0.03 -2.50 -0.09 0.00 0.10 0.00 0.00 34.13 31.61 2e9x s GLU 45 CO 0.51 -0.92 1.23 0.45 0.02 0.00 0.00 175.26 176.55 2e9x s SER 46 N -0.75 6.69 -0.59 -0.19 0.15 -0.46 -4.94 113.70 113.60 2e9x s SER 46 Ca 0.65 2.51 0.06 0.00 0.70 0.00 0.00 55.95 59.88 2e9x s SER 46 Cb -0.41 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 61.52 2e9x s SER 46 CO 0.51 -0.57 0.72 0.29 1.20 0.00 0.00 173.24 175.39 2e9x n LYS 47 N 0.52 2.28 -0.09 5.44 4.76 -1.26 -4.93 118.16 124.88 2e9x n LYS 47 Ca 0.02 -4.45 -0.06 0.00 -2.87 0.00 0.00 58.31 50.95 2e9x n LYS 47 Cb 0.44 -2.09 0.01 0.00 -1.84 0.00 0.00 35.03 31.55 2e9x n LYS 47 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2e9x h PRO 48 N 4.07 0.14 -0.98 1.97 0.11 -1.99 -2.14 132.00 133.17 2e9x h PRO 48 Ca 0.17 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 66.48 2e9x h PRO 48 Cb 0.69 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 31.67 2e9x h PRO 48 CO 0.78 0.10 0.62 0.93 -0.21 0.00 0.00 178.00 180.21 2e9x h GLU 49 N 0.15 0.57 0.10 1.05 4.39 -1.99 -0.94 114.58 117.90 2e9x h GLU 49 Ca 0.16 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2e9x h GLU 49 Cb 0.19 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2e9x h GLU 49 CO -0.23 0.38 -0.05 0.82 -1.16 0.00 0.00 179.01 178.77 2e9x h ILE 50 N 0.59 0.72 -0.18 3.13 2.04 -1.82 -2.86 117.51 119.13 2e9x h ILE 50 Ca 0.55 -1.31 0.05 0.00 1.00 0.00 0.00 64.86 65.14 2e9x h ILE 50 Cb 1.09 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 2e9x h ILE 50 CO -0.30 0.22 -0.12 0.58 0.00 0.00 0.00 178.15 178.53 2e9x h VAL 51 N -0.96 0.64 -0.04 1.67 2.07 -1.20 -0.06 116.25 118.36 2e9x h VAL 51 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2e9x h VAL 51 Cb 0.46 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2e9x h VAL 51 CO 0.02 0.00 0.03 -0.33 0.02 0.00 0.00 177.57 177.31 2e9x h GLU 52 N -0.12 0.06 -0.40 1.57 5.08 -1.33 0.08 114.58 119.52 2e9x h GLU 52 Ca 0.11 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2e9x h GLU 52 Cb 0.28 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2e9x h GLU 52 CO -0.26 0.05 -0.03 0.00 -1.00 0.00 0.00 179.01 177.77 2e9x h VAL 54 N 0.62 1.28 -0.80 0.00 2.07 -0.84 -1.32 116.25 117.25 2e9x h VAL 54 Ca 0.12 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 2e9x h VAL 54 Cb 0.43 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 2e9x h VAL 54 CO 0.02 0.55 0.47 0.24 0.02 0.00 0.00 177.57 178.87 2e9x h MET 55 N 0.67 1.10 0.03 1.57 2.07 -0.58 -0.84 114.93 118.95 2e9x h MET 55 Ca 0.03 -0.11 -0.00 0.00 -2.07 0.00 0.00 59.70 57.55 2e9x h MET 55 Cb 1.08 -0.23 0.00 0.00 -1.87 0.00 0.00 31.60 30.58 2e9x h MET 55 CO 0.11 0.79 -0.01 1.49 1.07 0.00 0.00 176.91 180.35 2e9x h GLU 56 N 1.11 -0.03 -0.96 1.72 4.81 -0.98 -1.10 114.58 119.14 2e9x h GLU 56 Ca 0.29 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.69 2e9x h GLU 56 Cb -0.02 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.27 2e9x h GLU 56 CO -0.05 0.17 0.57 1.96 -0.73 0.00 0.00 179.01 180.92 2e9x h GLN 57 N -0.23 0.73 -0.30 1.92 1.08 -0.92 0.35 115.11 117.73 2e9x h GLN 57 Ca -0.00 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 2e9x h GLN 57 Cb 0.21 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2e9x h GLN 57 CO 0.01 0.48 -0.30 -0.07 -0.95 0.00 0.00 178.83 178.00 2e9x h LEU 58 N 0.75 0.63 -0.28 1.46 3.38 -0.81 -2.06 115.31 118.38 2e9x h LEU 58 Ca 0.54 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 58.06 2e9x h LEU 58 Cb 0.80 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2e9x h LEU 58 CO -0.37 0.90 -0.83 -0.33 0.09 0.00 0.00 178.44 177.90 2e9x h GLU 59 N 0.53 0.42 -0.09 1.13 5.08 0.37 -2.58 114.58 119.44 2e9x h GLU 59 Ca 0.07 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.94 2e9x h GLU 59 Cb 0.78 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2e9x h GLU 59 CO 0.06 1.05 -0.37 0.45 -1.00 0.00 0.00 179.01 179.20 2e9x h HIS 60 N 0.26 0.21 -0.00 4.33 3.86 -0.32 -1.52 115.15 121.98 2e9x h HIS 60 Ca -0.05 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2e9x h HIS 60 Cb 1.44 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.86 2e9x h HIS 60 CO 0.05 0.54 -0.09 -0.12 0.86 0.00 0.00 177.93 179.17 2e9x n MET 61 N -4.07 0.72 0.01 2.45 0.00 -0.79 -2.73 117.12 112.71 2e9x n MET 61 Ca -0.01 -0.23 0.13 0.00 -0.00 0.00 0.00 57.70 57.58 2e9x n MET 61 Cb 0.44 -1.50 0.37 0.00 0.00 0.00 0.00 33.22 32.53 2e9x n MET 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2e9x n GLU 62 N -0.94 0.02 -0.95 2.12 -0.58 -0.58 -4.18 120.64 115.56 2e9x n GLU 62 Ca 0.15 0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.79 2e9x n GLU 62 Cb 0.27 -1.52 -0.13 0.00 -0.57 0.00 0.00 31.44 29.49 2e9x n GLU 62 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2e9x n GLU 63 N -1.55 1.85 -0.99 3.49 1.02 -1.11 -5.09 120.64 118.27 2e9x n GLU 63 Ca 0.06 -0.93 0.00 0.00 -0.02 0.00 0.00 57.16 56.27 2e9x n GLU 63 Cb 0.34 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2e9x n GLU 63 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2e9x n ASN 64 N 2.17 0.00 0.00 1.62 3.02 -1.26 -5.12 115.26 115.69 2e9x n ASN 64 Ca 0.36 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 2e9x n ASN 64 Cb 0.81 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 2e9x n ASN 64 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2e9x n GLU 71 N 0.00 0.00 -0.28 3.52 4.07 -1.26 -5.20 120.64 121.49 2e9x n GLU 71 Ca 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.13 2e9x n GLU 71 Cb 0.00 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 31.54 2e9x n GLU 71 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2e9x h ASP 72 N 0.00 0.61 -0.80 4.31 3.32 -2.05 0.57 116.42 122.38 2e9x h ASP 72 Ca 0.00 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.13 2e9x h ASP 72 Cb 0.00 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 2e9x h ASP 72 CO 0.00 0.34 0.52 0.25 -1.72 0.00 0.00 179.24 178.63 2e9x h LEU 73 N 0.73 0.88 -1.33 1.55 5.85 -2.05 0.26 115.31 121.19 2e9x h LEU 73 Ca 0.39 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.03 2e9x h LEU 73 Cb 0.38 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2e9x h LEU 73 CO -0.26 0.62 -0.27 0.50 -0.34 0.00 0.00 178.44 178.69 2e9x h LYS 74 N 1.03 0.11 -0.10 1.25 3.64 -1.58 -1.49 116.57 119.43 2e9x h LYS 74 Ca 0.31 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 2e9x h LYS 74 Cb -0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2e9x h LYS 74 CO -0.09 0.37 -0.31 0.28 -2.27 0.00 0.00 179.45 177.43 2e9x h VAL 75 N 0.10 1.39 -0.20 2.00 2.07 0.72 -2.50 116.25 119.83 2e9x h VAL 75 Ca 0.02 -1.64 0.01 0.00 0.82 0.00 0.00 66.70 65.90 2e9x h VAL 75 Cb 0.53 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2e9x h VAL 75 CO 0.04 0.48 0.11 0.28 0.02 0.00 0.00 177.57 178.50 2e9x h SER 76 N -0.04 0.19 -0.64 0.57 0.02 -0.31 -0.31 113.55 113.03 2e9x h SER 76 Ca -0.01 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2e9x h SER 76 Cb 0.93 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 2e9x h SER 76 CO 0.07 0.14 0.40 0.40 -1.14 0.00 0.00 176.83 176.69 2e9x h ILE 77 N 0.24 1.09 -0.59 3.27 2.04 -1.33 0.12 117.51 122.34 2e9x h ILE 77 Ca 0.08 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 2e9x h ILE 77 Cb -0.01 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 2e9x h ILE 77 CO -0.03 0.14 0.18 0.45 0.00 0.00 0.00 178.15 178.89 2e9x h HIS 78 N 0.78 0.95 -0.67 1.37 3.86 -1.15 -2.18 115.15 118.11 2e9x h HIS 78 Ca 0.25 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2e9x h HIS 78 Cb 0.01 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 2e9x h HIS 78 CO -0.05 0.79 0.21 0.37 0.86 0.00 0.00 177.93 180.12 2e9x h GLN 79 N 0.84 1.03 -0.62 2.45 4.15 -0.48 -1.33 115.11 121.14 2e9x h GLN 79 Ca 0.19 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 2e9x h GLN 79 Cb 0.29 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2e9x h GLN 79 CO -0.01 0.88 0.33 0.52 -1.93 0.00 0.00 178.83 178.62 2e9x h MET 80 N 0.99 0.87 -0.62 1.69 2.86 -0.42 -1.25 114.93 119.05 2e9x h MET 80 Ca 0.22 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 2e9x h MET 80 Cb 0.28 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2e9x h MET 80 CO -0.01 0.67 0.03 1.49 1.06 0.00 0.00 176.91 180.15 2e9x h GLU 81 N 0.85 1.07 -0.48 1.72 4.81 -1.05 -2.45 114.58 119.04 2e9x h GLU 81 Ca 0.22 -0.32 0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2e9x h GLU 81 Cb 0.06 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 2e9x h GLU 81 CO -0.03 1.03 0.20 0.52 -0.73 0.00 0.00 179.01 179.99 2e9x h MET 82 N 0.98 0.38 -0.92 1.92 2.86 -0.73 -1.53 114.93 117.89 2e9x h MET 82 Ca 0.18 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2e9x h MET 82 Cb 0.53 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 2e9x h MET 82 CO 0.03 0.25 0.60 0.93 1.06 0.00 0.00 176.91 179.78 2e9x h GLU 83 N 0.39 1.22 -0.48 1.72 4.39 -0.96 0.16 114.58 121.03 2e9x h GLU 83 Ca 0.23 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2e9x h GLU 83 Cb 0.20 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2e9x h GLU 83 CO -0.21 0.82 0.27 0.00 -1.16 0.00 0.00 179.01 178.74 2e9x h ARG 84 N 1.26 0.66 -0.39 2.33 3.08 -0.85 -1.07 114.38 119.40 2e9x h ARG 84 Ca 0.34 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.20 2e9x h ARG 84 Cb -0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 2e9x h ARG 84 CO -0.07 0.51 -0.21 0.82 -1.07 0.00 0.00 179.97 179.95 2e9x h ILE 85 N 0.63 1.28 -0.11 2.04 2.04 -0.81 -2.89 117.51 119.69 2e9x h ILE 85 Ca 0.17 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.71 2e9x h ILE 85 Cb 0.03 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2e9x h ILE 85 CO -0.03 0.45 -0.09 0.03 0.00 0.00 0.00 178.15 178.52 2e9x h ARG 86 N 0.64 -0.09 -0.42 2.37 3.08 -0.46 -1.64 114.38 117.86 2e9x h ARG 86 Ca 0.08 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.20 2e9x h ARG 86 Cb 0.77 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 2e9x h ARG 86 CO 0.06 -0.06 0.12 -0.92 -1.07 0.00 0.00 179.97 178.09 2e9x h TYR 87 N -0.10 0.20 -0.64 3.04 3.20 -1.17 -0.25 116.97 121.25 2e9x h TYR 87 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2e9x h TYR 87 Cb 0.20 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 2e9x h TYR 87 CO -0.20 0.05 0.33 0.28 -1.64 0.00 0.00 178.16 176.98 2e9x h VAL 88 N 0.26 1.21 -0.40 1.81 2.07 -1.27 0.15 116.25 120.09 2e9x h VAL 88 Ca 0.20 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2e9x h VAL 88 Cb 0.22 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2e9x h VAL 88 CO -0.23 0.24 0.10 0.25 0.02 0.00 0.00 177.57 177.94 2e9x h LEU 89 N 0.88 0.61 -0.78 2.57 5.85 -0.94 -1.15 115.31 122.34 2e9x h LEU 89 Ca 0.22 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2e9x h LEU 89 Cb 0.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2e9x h LEU 89 CO -0.03 0.68 0.27 0.28 -0.34 0.00 0.00 178.44 179.29 2e9x h SER 90 N 0.50 1.10 -0.11 1.25 0.02 -0.77 -0.90 113.55 114.64 2e9x h SER 90 Ca 0.12 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2e9x h SER 90 Cb 0.31 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2e9x h SER 90 CO 0.00 1.00 0.01 -1.28 -1.14 0.00 0.00 176.83 175.42 2e9x h SER 91 N 1.13 0.19 0.01 3.07 0.87 -0.84 -1.05 113.55 116.93 2e9x h SER 91 Ca 0.25 -0.29 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2e9x h SER 91 Cb 0.28 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2e9x h SER 91 CO -0.01 0.43 -0.18 0.22 -0.53 0.00 0.00 176.83 176.76 2e9x h TYR 92 N -0.06 -0.46 -0.83 2.24 3.20 -1.04 0.52 116.97 120.53 2e9x h TYR 92 Ca 0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2e9x h TYR 92 Cb 0.33 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 2e9x h TYR 92 CO 0.03 -0.25 0.53 -0.07 -1.64 0.00 0.00 178.16 176.75 2e9x h LEU 93 N -0.29 0.97 -0.49 2.82 3.38 -1.11 -1.29 115.31 119.29 2e9x h LEU 93 Ca 0.05 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2e9x h LEU 93 Cb 0.36 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2e9x h LEU 93 CO -0.16 0.72 0.01 0.03 0.09 0.00 0.00 178.44 179.12 2e9x h ARG 94 N 1.13 0.86 -0.16 1.13 3.08 -0.74 -1.93 114.38 117.75 2e9x h ARG 94 Ca 0.30 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 60.11 2e9x h ARG 94 Cb -0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 2e9x h ARG 94 CO -0.06 0.90 -0.00 0.00 -1.07 0.00 0.00 179.97 179.74 2e9x h ARG 96 N 0.05 1.26 -0.52 0.00 3.08 -1.15 -1.94 114.38 115.18 2e9x h ARG 96 Ca 0.08 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 2e9x h ARG 96 Cb 0.09 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2e9x h ARG 96 CO -0.13 0.89 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.58 2e9x h LEU 97 N 1.28 0.86 -0.32 3.04 3.38 -0.91 -0.31 115.31 122.33 2e9x h LEU 97 Ca 0.33 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2e9x h LEU 97 Cb -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2e9x h LEU 97 CO -0.06 0.93 0.15 -0.03 0.09 0.00 0.00 178.44 179.53 2e9x h MET 98 N 0.82 0.31 -0.72 1.13 4.05 -0.48 0.01 114.93 120.05 2e9x h MET 98 Ca 0.15 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 2e9x h MET 98 Cb 0.51 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 2e9x h MET 98 CO 0.03 0.21 0.29 0.87 0.23 0.00 0.00 176.91 178.53 2e9x h LYS 99 N 0.32 1.08 -0.74 0.39 1.57 -0.98 -0.80 116.57 117.41 2e9x h LYS 99 Ca 0.13 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2e9x h LYS 99 Cb 0.05 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 2e9x h LYS 99 CO -0.09 0.89 0.48 0.82 -0.57 0.00 0.00 179.45 180.98 2e9x h ILE 100 N 1.03 1.20 -0.23 1.86 2.04 -0.56 -1.61 117.51 121.23 2e9x h ILE 100 Ca 0.24 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 2e9x h ILE 100 Cb 0.22 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2e9x h ILE 100 CO -0.02 0.19 -0.30 -0.33 0.00 0.00 0.00 178.15 177.69 2e9x h GLU 101 N 1.01 0.62 -0.73 2.37 5.08 -0.67 -0.90 114.58 121.36 2e9x h GLU 101 Ca 0.27 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2e9x h GLU 101 Cb -0.10 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2e9x h GLU 101 CO -0.06 0.96 0.29 0.87 -1.00 0.00 0.00 179.01 180.07 2e9x h LYS 102 N 0.32 1.08 -0.50 2.33 1.57 -0.94 -3.24 116.57 117.18 2e9x h LYS 102 Ca 0.03 -0.19 -0.36 0.00 -1.87 0.00 0.00 60.65 58.26 2e9x h LYS 102 Cb 0.87 -0.18 -0.28 0.00 0.08 0.00 0.00 32.23 32.73 2e9x h LYS 102 CO 0.07 0.88 -0.65 1.19 -0.57 0.00 0.00 179.45 180.37 2e9x n PHE 103 N -4.29 1.81 -0.29 -1.35 3.01 -0.63 -4.81 117.46 110.92 2e9x n PHE 103 Ca 0.06 -1.98 0.08 0.00 1.01 0.00 0.00 57.45 56.63 2e9x n PHE 103 Cb 0.18 -0.34 0.24 0.00 -0.01 0.00 0.00 39.48 39.55 2e9x n PHE 103 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2e9x h PHE 104 N 1.75 0.65 -0.52 1.38 -5.15 -1.19 -0.19 116.94 113.67 2e9x h PHE 104 Ca 0.25 0.04 -0.06 0.00 -0.20 0.00 0.00 57.97 58.00 2e9x h PHE 104 Cb 1.35 -0.16 -0.02 0.00 0.22 0.00 0.00 35.95 37.34 2e9x h PHE 104 CO 0.84 0.07 0.07 -1.35 -2.00 0.00 0.00 178.31 175.95 2e9x h PRO 105 N 0.50 0.83 0.01 6.09 0.11 -1.88 -1.99 132.00 135.67 2e9x h PRO 105 Ca 0.48 -0.19 -0.21 0.00 0.11 0.00 0.00 66.00 66.19 2e9x h PRO 105 Cb 0.77 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2e9x h PRO 105 CO -0.43 0.78 -0.92 0.45 -0.21 0.00 0.00 178.00 177.67 2e9x h HIS 106 N 0.79 0.33 -0.29 0.65 3.86 -1.67 -1.47 115.15 117.35 2e9x h HIS 106 Ca 0.16 -0.19 -0.12 0.00 -1.16 0.00 0.00 60.37 59.07 2e9x h HIS 106 Cb 0.37 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2e9x h HIS 106 CO 0.02 1.02 -0.32 0.28 0.86 0.00 0.00 177.93 179.79 2e9x h VAL 107 N 0.11 1.28 -0.04 2.45 2.07 -0.89 -1.90 116.25 119.34 2e9x h VAL 107 Ca -0.05 -1.44 -0.26 0.00 0.82 0.00 0.00 66.70 65.77 2e9x h VAL 107 Cb 1.57 1.41 0.02 0.00 -1.52 0.00 0.00 31.29 32.77 2e9x h VAL 107 CO 0.14 0.46 -0.97 -0.07 0.02 0.00 0.00 177.57 177.15 2e9x h LEU 108 N 0.52 0.92 -0.67 2.57 3.38 -1.33 -2.92 115.31 117.78 2e9x h LEU 108 Ca 0.06 -0.71 -0.08 0.00 0.09 0.00 0.00 57.88 57.24 2e9x h LEU 108 Cb 0.81 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2e9x h LEU 108 CO 0.07 1.51 0.09 -0.08 0.09 0.00 0.00 178.44 180.12 2e9x h GLU 109 N 0.43 1.12 -0.65 1.13 4.57 -1.22 -1.51 114.58 118.44 2e9x h GLU 109 Ca -0.11 -0.31 -0.07 0.00 -1.18 0.00 0.00 59.36 57.69 2e9x h GLU 109 Cb 1.62 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 30.06 2e9x h GLU 109 CO 0.19 1.03 0.13 -0.22 -1.18 0.00 0.00 179.01 178.97 2e9x h LYS 110 N 1.04 1.06 -0.19 1.92 3.64 -1.40 -2.49 116.57 120.15 2e9x h LYS 110 Ca 0.20 -0.27 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 2e9x h LYS 110 Cb 0.46 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2e9x h LYS 110 CO 0.02 0.97 -0.46 1.49 -2.27 0.00 0.00 179.45 179.20 2e9x h GLU 111 N 0.98 0.49 -0.28 1.90 4.57 -1.35 -1.85 114.58 119.04 2e9x h GLU 111 Ca 0.20 -0.27 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 2e9x h GLU 111 Cb 0.40 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2e9x h GLU 111 CO 0.01 0.85 -0.15 -0.22 -1.18 0.00 0.00 179.01 178.32 2e9x h LYS 112 N 0.40 0.49 -0.37 1.92 3.64 -1.07 -2.80 116.57 118.78 2e9x h LYS 112 Ca 0.03 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2e9x h LYS 112 Cb 0.96 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2e9x h LYS 112 CO 0.08 0.63 0.00 0.25 -2.27 0.00 0.00 179.45 178.15 2e9x n THR 113 N -4.19 0.47 -1.94 1.00 -2.24 -0.96 -4.95 114.28 101.48 2e9x n THR 113 Ca 0.00 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.68 2e9x n THR 113 Cb 0.34 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 2e9x n THR 113 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2e9x s ARG 114 N -1.53 4.22 0.16 -0.78 3.52 -0.70 -4.94 118.95 118.90 2e9x s ARG 114 Ca 0.38 2.35 -0.31 0.00 -0.13 0.00 0.00 55.73 58.02 2e9x s ARG 114 Cb 0.22 -3.17 -0.09 0.00 -1.56 0.00 0.00 34.95 30.35 2e9x s ARG 114 CO 0.31 -0.61 1.38 -2.14 -0.81 0.00 0.00 175.30 173.43 2e9x s PRO 115 N 1.20 4.33 -0.03 5.12 0.02 -1.26 -4.91 135.00 139.47 2e9x s PRO 115 Ca 0.70 2.12 -0.36 0.00 0.02 0.00 0.00 61.00 63.48 2e9x s PRO 115 Cb -0.43 -3.21 -0.15 0.00 0.02 0.00 0.00 34.50 30.73 2e9x s PRO 115 CO 0.31 -0.39 1.63 -1.91 -0.33 0.00 0.00 177.00 176.31 2e9x n GLU 116 N 3.34 1.63 0.00 5.54 4.07 -1.26 -0.98 120.64 132.98 2e9x n GLU 116 Ca 0.09 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 57.79 2e9x n GLU 116 Cb 0.42 -2.32 0.00 0.00 -0.06 0.00 0.00 31.44 29.47 2e9x n GLU 116 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2e9x n GLY 117 N 3.61 2.12 3.77 8.31 0.00 -1.26 -5.09 105.19 116.65 2e9x n GLY 117 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2e9x n GLY 117 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e9x s GLU 118 N -0.21 4.62 0.17 1.61 2.12 -0.15 -5.00 118.70 121.86 2e9x s GLU 118 Ca 0.00 1.26 -0.34 0.00 0.36 0.00 0.00 54.97 56.25 2e9x s GLU 118 Cb 0.00 -3.14 -0.14 0.00 0.26 0.00 0.00 34.13 31.12 2e9x s GLU 118 CO 0.00 0.48 1.58 -2.30 -0.54 0.00 0.00 175.26 174.48 2e9x n PRO 119 N 1.27 2.19 -2.72 4.30 -0.02 -1.26 -4.89 135.00 133.85 2e9x n PRO 119 Ca -0.03 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 2e9x n PRO 119 Cb 0.49 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 2e9x n PRO 119 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2e9x s SER 120 N 0.91 6.67 -0.05 2.55 0.15 -1.26 -4.96 113.70 117.71 2e9x s SER 120 Ca 0.78 1.42 0.17 0.00 0.70 0.00 0.00 55.95 59.02 2e9x s SER 120 Cb -0.67 -2.44 0.54 0.00 -1.71 0.00 0.00 66.02 61.75 2e9x s SER 120 CO 0.38 -0.43 1.46 -1.20 1.20 0.00 0.00 173.24 174.65 2e9x n SER 121 N -1.14 3.84 -3.75 5.45 7.64 -1.26 -1.35 113.62 123.04 2e9x n SER 121 Ca 0.05 -2.22 -0.15 0.00 1.01 0.00 0.00 58.87 57.56 2e9x n SER 121 Cb 0.54 -0.43 -0.16 0.00 -1.01 0.00 0.00 64.21 63.15 2e9x n SER 121 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2e9x s LEU 122 N -1.41 0.84 0.87 -3.43 1.43 -1.26 -4.39 118.68 111.34 2e9x s LEU 122 Ca 0.40 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 2e9x s LEU 122 Cb 0.24 0.08 0.11 0.00 0.03 0.00 0.00 46.19 46.65 2e9x s LEU 122 CO 0.23 -0.15 1.13 -0.94 0.23 0.00 0.00 176.35 176.84 2e9x s SER 123 N 1.24 3.87 0.19 2.29 1.04 -1.26 -4.78 113.70 116.29 2e9x s SER 123 Ca -0.08 1.07 -0.12 0.00 0.48 0.00 0.00 55.95 57.30 2e9x s SER 123 Cb -0.12 -1.69 0.16 0.00 0.10 0.00 0.00 66.02 64.46 2e9x s SER 123 CO -0.04 -2.34 1.80 -0.65 0.98 0.00 0.00 173.24 173.00 2e9x h PRO 124 N -1.35 0.59 -0.60 4.02 0.11 -2.01 -0.52 132.00 132.25 2e9x h PRO 124 Ca -0.49 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 2e9x h PRO 124 Cb 1.31 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2e9x h PRO 124 CO 0.61 0.39 0.03 0.93 -0.21 0.00 0.00 178.00 179.75 2e9x h GLU 125 N 0.61 1.04 -0.63 1.05 3.07 -1.99 -1.42 114.58 116.31 2e9x h GLU 125 Ca 0.24 -0.32 -0.07 0.00 -0.50 0.00 0.00 59.36 58.72 2e9x h GLU 125 Cb 0.11 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 2e9x h GLU 125 CO -0.14 1.01 0.12 0.93 -1.40 0.00 0.00 179.01 179.53 2e9x h GLU 126 N 0.94 1.02 -0.15 2.33 5.08 -1.85 -0.28 114.58 121.68 2e9x h GLU 126 Ca 0.17 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2e9x h GLU 126 Cb 0.52 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2e9x h GLU 126 CO 0.03 0.93 0.09 1.25 -1.00 0.00 0.00 179.01 180.30 2e9x h LEU 127 N 0.96 0.18 -0.47 1.33 5.85 -0.80 0.13 115.31 122.49 2e9x h LEU 127 Ca 0.20 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2e9x h LEU 127 Cb 0.39 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2e9x h LEU 127 CO 0.01 0.17 0.31 0.00 -0.34 0.00 0.00 178.44 178.58 2e9x h ALA 128 N 1.02 0.60 -0.55 1.25 0.00 -0.96 -1.00 119.26 119.62 2e9x h ALA 128 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2e9x h ALA 128 Cb 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2e9x h ALA 128 CO -0.01 0.03 0.32 0.35 0.00 0.00 0.00 179.25 179.94 2e9x h PHE 129 N 0.62 0.59 -0.45 0.00 3.57 -0.68 -0.89 116.94 119.70 2e9x h PHE 129 Ca 0.18 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2e9x h PHE 129 Cb -0.05 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 2e9x h PHE 129 CO -0.05 0.32 0.19 0.00 -2.23 0.00 0.00 178.31 176.54 2e9x h ALA 130 N 1.26 0.59 -0.89 2.41 0.00 -0.36 -0.41 119.26 121.85 2e9x h ALA 130 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2e9x h ALA 130 Cb 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2e9x h ALA 130 CO -0.12 0.19 0.53 0.00 0.00 0.00 0.00 179.25 179.85 2e9x h ARG 131 N 0.59 1.21 -0.51 0.00 3.08 -0.82 -1.08 114.38 116.84 2e9x h ARG 131 Ca 0.15 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 2e9x h ARG 131 Cb 0.18 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2e9x h ARG 131 CO -0.01 0.85 -0.17 0.93 -1.07 0.00 0.00 179.97 180.50 2e9x h GLU 132 N 1.23 1.02 -0.84 0.04 5.08 -0.83 -0.60 114.58 119.68 2e9x h GLU 132 Ca 0.32 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2e9x h GLU 132 Cb -0.04 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2e9x h GLU 132 CO -0.06 1.10 0.42 0.35 -1.00 0.00 0.00 179.01 179.82 2e9x h PHE 133 N 0.89 1.19 0.31 4.33 3.57 -0.61 0.18 116.94 126.80 2e9x h PHE 133 Ca 0.12 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2e9x h PHE 133 Cb 0.75 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2e9x h PHE 133 CO 0.05 0.85 -0.15 1.98 -2.23 0.00 0.00 178.31 178.81 2e9x h MET 134 N 1.19 -0.41 -0.51 1.11 4.05 -0.96 -1.73 114.93 117.68 2e9x h MET 134 Ca 0.29 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.78 2e9x h MET 134 Cb 0.09 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 2e9x h MET 134 CO -0.04 -0.13 0.26 0.00 0.23 0.00 0.00 176.91 177.23 2e9x h ALA 135 N -0.05 0.65 -0.53 0.39 0.00 -0.94 -1.31 119.26 117.46 2e9x h ALA 135 Ca -0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2e9x h ALA 135 Cb 0.46 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2e9x h ALA 135 CO 0.07 -0.09 0.34 -0.97 0.00 0.00 0.00 179.25 178.60 2e9x h ASN 136 N 0.50 0.58 -0.30 0.00 -1.24 -0.95 -1.55 115.58 112.62 2e9x h ASN 136 Ca 0.22 -0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.09 2e9x h ASN 136 Cb 0.13 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.04 2e9x h ASN 136 CO -0.16 0.41 -0.36 0.74 -1.29 0.00 0.00 177.43 176.78 2e9x h THR 137 N 0.69 1.29 -0.27 -3.57 2.02 -0.96 -1.95 112.91 110.17 2e9x h THR 137 Ca 0.20 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 2e9x h THR 137 Cb -0.04 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2e9x h THR 137 CO -0.06 0.50 0.09 -0.33 0.37 0.00 0.00 175.52 176.08 2e9x h GLU 138 N 0.53 0.42 -0.40 6.66 5.08 -1.18 -0.88 114.58 124.80 2e9x h GLU 138 Ca 0.04 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2e9x h GLU 138 Cb 0.94 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2e9x h GLU 138 CO 0.09 0.48 0.23 1.03 -1.00 0.00 0.00 179.01 179.83 2e9x h SER 139 N 0.27 0.36 0.08 1.42 0.87 -1.30 0.10 113.55 115.37 2e9x h SER 139 Ca 0.09 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2e9x h SER 139 Cb 0.23 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2e9x h SER 139 CO -0.00 0.26 -0.04 0.22 -0.53 0.00 0.00 176.83 176.74 2e9x h TYR 140 N 0.47 -0.11 -0.83 2.24 3.20 -1.16 -1.00 116.97 119.77 2e9x h TYR 140 Ca 0.16 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2e9x h TYR 140 Cb 0.02 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2e9x h TYR 140 CO -0.08 -0.07 0.44 -0.07 -1.64 0.00 0.00 178.16 176.74 2e9x h LEU 141 N -0.12 1.05 0.09 2.82 3.38 -0.90 -1.16 115.31 120.48 2e9x h LEU 141 Ca -0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2e9x h LEU 141 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2e9x h LEU 141 CO 0.01 0.86 -0.04 0.50 0.09 0.00 0.00 178.44 179.86 2e9x h LYS 142 N 1.17 -0.12 -0.39 1.13 3.64 -0.56 -0.58 116.57 120.86 2e9x h LYS 142 Ca 0.29 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.56 2e9x h LYS 142 Cb 0.05 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2e9x h LYS 142 CO -0.04 0.13 -0.24 -0.91 -2.27 0.00 0.00 179.45 176.12 2e9x h ASN 143 N -0.36 0.80 0.91 4.20 2.35 -1.06 -0.33 115.58 122.09 2e9x h ASN 143 Ca -0.01 -0.30 -0.22 0.00 -0.55 0.00 0.00 56.30 55.22 2e9x h ASN 143 Cb 0.30 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 2e9x h ASN 143 CO 0.02 1.01 -1.12 1.62 -1.65 0.00 0.00 177.43 177.30 2e9x h VAL 144 N 0.68 1.56 0.00 2.81 3.04 -1.28 -3.46 116.25 119.61 2e9x h VAL 144 Ca 0.09 -3.30 0.00 0.00 -1.01 0.00 0.00 66.70 62.48 2e9x h VAL 144 Cb 0.75 2.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.81 2e9x h VAL 144 CO 0.06 0.89 0.00 0.00 -1.01 0.00 0.00 177.57 177.51 2e9x n ALA 145 N -2.39 2.00 -0.20 3.17 0.00 -0.88 -4.92 120.51 117.29 2e9x n ALA 145 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2e9x n ALA 145 Cb 0.96 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.52 2e9x n ALA 145 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2e9x h LEU 146 N 0.00 0.18 0.00 0.00 3.38 -1.02 -0.49 115.31 117.36 2e9x h LEU 146 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2e9x h LEU 146 Cb 0.00 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2e9x h LEU 146 CO 0.00 0.11 0.00 2.29 0.09 0.00 0.00 178.44 180.93 2e9x n LYS 147 N -5.02 0.27 -0.13 1.13 2.85 -0.14 -2.07 118.16 115.05 2e9x n LYS 147 Ca 0.09 0.11 0.10 0.00 -1.05 0.00 0.00 58.31 57.56 2e9x n LYS 147 Cb 0.28 -1.50 0.16 0.00 -0.65 0.00 0.00 35.03 33.32 2e9x n LYS 147 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2e9x n HIS 148 N -1.25 0.34 -3.24 5.58 8.25 -0.20 -4.98 115.22 119.72 2e9x n HIS 148 Ca 0.08 -0.21 -0.22 0.00 -0.26 0.00 0.00 57.72 57.12 2e9x n HIS 148 Cb 0.12 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 2e9x n HIS 148 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2e9x s MET 149 N -1.36 3.15 0.61 -0.41 -1.94 -0.88 -5.05 119.30 113.42 2e9x s MET 149 Ca 0.30 -0.65 -0.18 0.00 -1.71 0.00 0.00 55.69 53.45 2e9x s MET 149 Cb 0.18 -2.67 -0.10 0.00 2.01 0.00 0.00 34.83 34.25 2e9x s MET 149 CO 0.26 -0.08 0.21 -2.30 -0.01 0.00 0.00 175.02 173.10 2e9x n PRO 150 N -1.87 0.25 -0.32 2.03 -0.02 -1.26 -4.67 135.00 129.15 2e9x n PRO 150 Ca -0.00 0.11 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 2e9x n PRO 150 Cb 0.58 -1.45 0.11 0.00 -0.02 0.00 0.00 33.50 32.72 2e9x n PRO 150 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2e9x n PRO 151 N 0.49 -0.09 -0.80 0.52 -0.02 -1.26 -1.34 135.00 132.49 2e9x n PRO 151 Ca 0.09 1.38 0.03 0.00 -2.02 0.00 0.00 63.50 62.98 2e9x n PRO 151 Cb 0.49 -2.05 0.33 0.00 -0.02 0.00 0.00 33.50 32.24 2e9x n PRO 151 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2e9x n ASN 152 N -5.42 4.95 0.00 2.55 3.02 -1.26 -4.10 115.26 114.99 2e9x n ASN 152 Ca 0.14 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 2e9x n ASN 152 Cb 0.43 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2e9x n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2e9x n LEU 153 N 0.40 1.28 -0.03 3.41 4.77 -0.45 -4.78 117.00 121.59 2e9x n LEU 153 Ca 0.27 -1.28 0.14 0.00 -0.03 0.00 0.00 56.01 55.11 2e9x n LEU 153 Cb 1.11 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.89 2e9x n LEU 153 CO 0.30 0.32 0.95 0.00 -1.33 0.00 0.00 177.39 177.63 2e9x n GLN 154 N -0.32 0.45 -4.53 3.23 6.02 -1.21 -4.79 117.38 116.24 2e9x n GLN 154 Ca 0.00 -0.07 -0.33 0.00 -0.01 0.00 0.00 57.00 56.59 2e9x n GLN 154 Cb 0.33 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.96 2e9x n GLN 154 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2e9x s LYS 155 N -2.60 3.44 -0.15 -1.09 -0.14 -1.26 -4.69 119.74 113.25 2e9x s LYS 155 Ca 0.27 -0.64 0.00 0.00 -1.36 0.00 0.00 55.97 54.24 2e9x s LYS 155 Cb 0.20 -2.76 0.03 0.00 -1.68 0.00 0.00 37.83 33.61 2e9x s LYS 155 CO 0.48 0.14 -0.13 0.08 -0.76 0.00 0.00 175.35 175.16 2e9x s VAL 156 N 0.57 1.56 -0.59 3.17 1.01 -1.26 -5.08 120.40 119.78 2e9x s VAL 156 Ca -0.06 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 2e9x s VAL 156 Cb -0.15 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.76 2e9x s VAL 156 CO 0.03 0.41 1.32 -0.62 0.00 0.00 0.00 175.10 176.24 2e9x s ASP 157 N 1.49 6.25 0.57 3.32 2.15 -1.26 -4.86 116.67 124.32 2e9x s ASP 157 Ca 0.04 0.15 0.34 0.00 0.43 0.00 0.00 52.55 53.50 2e9x s ASP 157 Cb -0.13 -2.55 1.72 0.00 -0.30 0.00 0.00 42.92 41.65 2e9x s ASP 157 CO -0.10 -1.64 2.14 -0.07 -0.17 0.00 0.00 175.17 175.33 2e9x h LEU 158 N 12.66 0.00 -1.35 -1.34 3.38 -1.98 -0.90 115.31 125.79 2e9x h LEU 158 Ca -0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2e9x h LEU 158 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2e9x h LEU 158 CO 1.19 0.06 -0.15 0.15 0.09 0.00 0.00 178.44 179.77 2e9x h PHE 159 N 0.00 0.26 0.00 1.13 3.57 -1.89 -1.02 116.94 118.99 2e9x h PHE 159 Ca -0.00 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.29 2e9x h PHE 159 Cb 0.27 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2e9x h PHE 159 CO 0.00 0.40 -1.72 0.54 -2.23 0.00 0.00 178.31 175.30 2e9x n ARG 160 N -4.25 0.64 0.08 1.11 1.74 -0.52 -4.35 116.66 111.11 2e9x n ARG 160 Ca -0.01 0.10 -0.16 0.00 -0.77 0.00 0.00 57.85 57.01 2e9x n ARG 160 Cb 0.29 -1.70 -0.09 0.00 -1.02 0.00 0.00 32.46 29.94 2e9x n ARG 160 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2e9x h ALA 161 N 1.45 0.20 -2.72 7.54 0.00 -1.00 -3.44 119.26 121.29 2e9x h ALA 161 Ca -0.21 -0.77 -0.58 0.00 0.00 0.00 0.00 54.91 53.35 2e9x h ALA 161 Cb 1.61 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 2e9x h ALA 161 CO 0.03 0.82 0.01 0.08 0.00 0.00 0.00 179.25 180.19 2e9x s VAL 162 N -3.05 5.09 0.51 0.00 1.01 -0.41 -5.04 120.40 118.52 2e9x s VAL 162 Ca -0.06 1.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.84 2e9x s VAL 162 Cb 0.08 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 2e9x s VAL 162 CO 0.89 0.22 1.11 -2.65 0.00 0.00 0.00 175.10 174.66 2e9x n PRO 163 N 4.32 1.36 -2.84 2.72 -0.02 -1.26 -4.86 135.00 134.41 2e9x n PRO 163 Ca -0.04 0.50 -0.25 0.00 -2.02 0.00 0.00 63.50 61.69 2e9x n PRO 163 Cb 0.51 -2.26 0.01 0.00 -0.02 0.00 0.00 33.50 31.74 2e9x n PRO 163 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2e9x s LYS 164 N -2.50 3.23 0.27 -0.52 1.02 -1.26 -4.79 119.74 115.19 2e9x s LYS 164 Ca 0.69 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.19 2e9x s LYS 164 Cb -0.47 -2.47 -0.11 0.00 -0.52 0.00 0.00 37.83 34.26 2e9x s LYS 164 CO 0.52 -0.27 1.56 -2.14 -0.92 0.00 0.00 175.35 174.10 2e9x s PRO 165 N -4.65 4.17 -0.74 -1.68 0.02 -1.26 -4.91 135.00 125.95 2e9x s PRO 165 Ca 0.48 2.49 -0.22 0.00 0.02 0.00 0.00 61.00 63.77 2e9x s PRO 165 Cb -0.10 -3.05 0.08 0.00 0.02 0.00 0.00 34.50 31.44 2e9x s PRO 165 CO 0.41 -0.58 1.06 0.34 -0.33 0.00 0.00 177.00 177.89 2e9x s ASP 166 N 0.52 6.27 0.00 2.53 -1.08 -1.26 -4.87 116.67 118.78 2e9x s ASP 166 Ca 0.63 -1.14 0.16 0.00 -0.52 0.00 0.00 52.55 51.68 2e9x s ASP 166 Cb -0.46 -2.44 0.72 0.00 -1.46 0.00 0.00 42.92 39.28 2e9x s ASP 166 CO 0.45 -1.42 1.50 0.18 0.52 0.00 0.00 175.17 176.39 2e9x n LEU 167 N 7.76 0.00 -0.06 -1.34 4.77 -1.26 -2.33 117.00 124.55 2e9x n LEU 167 Ca 0.04 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 2e9x n LEU 167 Cb 0.47 -0.43 0.50 0.00 -2.33 0.00 0.00 43.42 41.63 2e9x n LEU 167 CO 0.63 -0.20 0.77 0.47 -1.33 0.00 0.00 177.39 177.73 2e9x n ASP 168 N -1.43 0.38 -4.56 -1.43 10.43 -1.26 -0.25 116.55 118.42 2e9x n ASP 168 Ca 0.05 -0.21 -0.43 0.00 2.57 0.00 0.00 54.79 56.78 2e9x n ASP 168 Cb 0.17 -0.09 0.00 0.00 1.84 0.00 0.00 41.12 43.04 2e9x n ASP 168 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2e9x n SER 169 N -1.24 0.76 -4.85 -2.24 7.64 -0.98 -4.33 113.62 108.37 2e9x n SER 169 Ca 0.10 1.06 -0.32 0.00 1.01 0.00 0.00 58.87 60.71 2e9x n SER 169 Cb 0.31 -1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.19 2e9x n SER 169 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2e9x s TYR 170 N -1.24 3.38 0.07 1.43 1.51 -1.26 -0.70 117.35 120.54 2e9x s TYR 170 Ca 0.62 1.30 -0.11 0.00 -1.01 0.00 0.00 57.07 57.87 2e9x s TYR 170 Cb -0.62 -2.61 0.01 0.00 -0.11 0.00 0.00 41.96 38.62 2e9x s TYR 170 CO 0.58 -0.03 0.23 0.14 -1.11 0.00 0.00 175.55 175.36 2e9x s VAL 171 N -2.16 0.11 0.06 0.71 -7.23 -0.47 -4.84 120.40 106.58 2e9x s VAL 171 Ca 0.56 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 2e9x s VAL 171 Cb -0.10 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 2e9x s VAL 171 CO 0.20 -0.51 0.16 -0.36 -0.31 0.00 0.00 175.10 174.28 2e9x s PHE 172 N -3.15 3.41 0.14 2.82 0.40 -1.26 -1.54 117.98 118.79 2e9x s PHE 172 Ca -0.01 0.20 -0.10 0.00 -0.60 0.00 0.00 56.93 56.43 2e9x s PHE 172 Cb 0.01 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.82 2e9x s PHE 172 CO -0.07 0.57 0.28 -0.48 0.70 0.00 0.00 175.22 176.22 2e9x s LEU 173 N -2.37 1.00 -0.07 -0.37 0.05 0.12 -1.59 118.68 115.44 2e9x s LEU 173 Ca 0.32 -0.72 0.04 0.00 0.05 0.00 0.00 54.13 53.82 2e9x s LEU 173 Cb -0.13 1.27 0.00 0.00 -2.05 0.00 0.00 46.19 45.29 2e9x s LEU 173 CO 0.24 -0.85 -0.20 -0.60 -0.55 0.00 0.00 176.35 174.40 2e9x s ARG 174 N -3.91 2.29 -0.24 1.48 3.52 0.17 -1.39 118.95 120.87 2e9x s ARG 174 Ca 0.11 -0.70 -0.22 0.00 -0.13 0.00 0.00 55.73 54.79 2e9x s ARG 174 Cb 0.03 -1.86 -0.01 0.00 -1.56 0.00 0.00 34.95 31.55 2e9x s ARG 174 CO -0.05 0.20 0.72 0.08 -0.81 0.00 0.00 175.30 175.43 2e9x s VAL 175 N 0.24 4.93 -0.46 7.11 1.01 0.01 0.12 120.40 133.35 2e9x s VAL 175 Ca -0.11 1.33 0.15 0.00 0.00 0.00 0.00 61.98 63.35 2e9x s VAL 175 Cb -0.15 -4.02 -0.19 0.00 0.00 0.00 0.00 36.38 32.03 2e9x s VAL 175 CO 0.05 0.00 0.53 -2.11 0.00 0.00 0.00 175.10 173.57 2e9x n ARG 176 N 5.70 1.51 -3.68 2.72 1.85 -0.37 0.42 116.66 124.81 2e9x n ARG 176 Ca 0.02 -0.05 -0.16 0.00 -1.00 0.00 0.00 57.85 56.66 2e9x n ARG 176 Cb 0.48 -1.26 -0.15 0.00 -1.05 0.00 0.00 32.46 30.48 2e9x n ARG 176 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2e9x s GLU 177 N -2.64 0.05 0.32 2.89 2.02 -0.35 -4.85 118.70 116.13 2e9x s GLU 177 Ca 0.02 0.56 -0.28 0.00 0.02 0.00 0.00 54.97 55.29 2e9x s GLU 177 Cb 0.11 -0.24 -0.13 0.00 0.10 0.00 0.00 34.13 33.97 2e9x s GLU 177 CO 0.62 -0.29 1.08 -2.13 0.02 0.00 0.00 175.26 174.56 2e9x n ARG 178 N 5.19 1.55 -3.66 1.61 0.63 -1.26 -4.73 116.66 115.98 2e9x n ARG 178 Ca -0.07 0.55 -0.08 0.00 -0.92 0.00 0.00 57.85 57.32 2e9x n ARG 178 Cb 0.50 -1.99 -0.08 0.00 0.45 0.00 0.00 32.46 31.34 2e9x n ARG 178 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2e9x s GLN 179 N -1.69 0.50 0.19 -0.14 2.00 -0.70 -5.02 119.66 114.81 2e9x s GLN 179 Ca 0.58 1.07 0.02 0.00 -2.00 0.00 0.00 55.36 55.03 2e9x s GLN 179 Cb -0.65 0.23 -0.04 0.00 0.80 0.00 0.00 33.01 33.36 2e9x s GLN 179 CO 0.60 -0.18 0.34 -1.21 -0.50 0.00 0.00 175.29 174.34 2e9x s GLU 180 N 1.95 3.47 -0.71 1.67 2.02 -1.26 -0.02 118.70 125.81 2e9x s GLU 180 Ca -0.08 -0.53 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 2e9x s GLU 180 Cb -0.09 -2.90 -0.00 0.00 0.10 0.00 0.00 34.13 31.24 2e9x s GLU 180 CO -0.16 0.45 0.59 0.09 0.02 0.00 0.00 175.26 176.26 2e9x n ASN 181 N -0.77 -2.31 -4.74 -0.19 3.02 -0.88 -4.94 115.26 104.45 2e9x n ASN 181 Ca -0.07 -0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 53.70 2e9x n ASN 181 Cb 0.54 -3.28 -0.05 0.00 -0.61 0.00 0.00 39.78 36.38 2e9x n ASN 181 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2e9x s ILE 182 N -3.22 4.39 -0.10 2.41 -1.09 0.30 -4.81 121.20 119.08 2e9x s ILE 182 Ca 0.03 2.00 -0.22 0.00 -2.23 0.00 0.00 60.65 60.24 2e9x s ILE 182 Cb -0.00 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 2e9x s ILE 182 CO 0.44 0.39 0.64 -0.22 -1.23 0.00 0.00 174.94 174.96 2e9x s LEU 183 N -0.44 4.28 -0.21 2.97 2.96 -1.26 -1.70 118.68 125.28 2e9x s LEU 183 Ca 0.43 1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 55.37 2e9x s LEU 183 Cb -0.24 -2.96 0.00 0.00 0.50 0.00 0.00 46.19 43.49 2e9x s LEU 183 CO 0.29 -0.11 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.43 2e9x s VAL 184 N 0.91 2.87 -0.54 1.68 1.01 -0.28 -4.79 120.40 121.26 2e9x s VAL 184 Ca 0.33 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2e9x s VAL 184 Cb -0.17 -2.28 0.14 0.00 0.00 0.00 0.00 36.38 34.07 2e9x s VAL 184 CO 0.15 0.46 0.30 -1.61 0.00 0.00 0.00 175.10 174.39 2e9x s GLU 185 N 1.40 2.10 0.20 2.72 2.02 -1.26 -2.28 118.70 123.59 2e9x s GLU 185 Ca 0.05 -2.63 -0.13 0.00 0.02 0.00 0.00 54.97 52.29 2e9x s GLU 185 Cb -0.14 -3.40 0.23 0.00 0.10 0.00 0.00 34.13 30.93 2e9x s GLU 185 CO -0.07 -1.12 1.66 -1.00 0.02 0.00 0.00 175.26 174.75 2e9x h PRO 186 N 6.56 0.07 0.00 0.39 0.13 -1.90 -3.46 132.00 133.79 2e9x h PRO 186 Ca -0.06 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2e9x h PRO 186 Cb 0.90 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2e9x h PRO 186 CO 0.69 0.05 0.00 -0.40 -0.23 0.00 0.00 178.00 178.11 2e9x n ASP 187 N -5.30 0.00 0.09 1.44 5.75 -1.26 -5.05 116.55 112.22 2e9x n ASP 187 Ca 0.07 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.92 2e9x n ASP 187 Cb 0.31 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.39 2e9x n ASP 187 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2e9x h THR 188 N 0.00 0.23 -3.62 2.12 1.35 -2.04 -3.45 112.91 107.51 2e9x h THR 188 Ca 0.00 -1.43 -0.58 0.00 -0.55 0.00 0.00 66.41 63.85 2e9x h THR 188 Cb 0.00 1.79 -0.08 0.00 -1.73 0.00 0.00 68.15 68.13 2e9x h THR 188 CO 0.00 0.13 0.79 -0.62 -0.25 0.00 0.00 175.52 175.58 2e9x s ASP 189 N -5.65 6.65 0.54 5.36 3.68 -1.26 -4.92 116.67 121.07 2e9x s ASP 189 Ca -0.00 0.48 0.27 0.00 2.13 0.00 0.00 52.55 55.42 2e9x s ASP 189 Cb 0.09 -2.51 1.55 0.00 -1.45 0.00 0.00 42.92 40.59 2e9x s ASP 189 CO 0.79 -1.10 2.14 -0.33 0.13 0.00 0.00 175.17 176.79 2e9x h GLU 190 N 8.93 0.00 0.00 4.34 5.08 -2.00 -2.35 114.58 128.59 2e9x h GLU 190 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2e9x h GLU 190 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2e9x h GLU 190 CO 1.07 0.07 0.00 1.04 -1.00 0.00 0.00 179.01 180.20 2e9x n GLN 191 N -3.82 0.02 0.00 2.33 6.02 -1.26 -1.17 117.38 119.50 2e9x n GLN 191 Ca -0.02 0.29 0.11 0.00 -0.01 0.00 0.00 57.00 57.37 2e9x n GLN 191 Cb 0.17 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.05 2e9x n GLN 191 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2e9x n ARG 192 N -1.47 0.34 -1.70 -1.09 5.12 -0.88 -4.95 116.66 112.03 2e9x n ARG 192 Ca 0.03 -0.24 -0.35 0.00 -1.93 0.00 0.00 57.85 55.36 2e9x n ARG 192 Cb 0.12 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 29.99 2e9x n ARG 192 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2e9x s ASP 193 N -2.83 4.66 0.31 0.55 1.01 -0.32 -4.68 116.67 115.37 2e9x s ASP 193 Ca 0.14 2.38 -0.17 0.00 0.71 0.00 0.00 52.55 55.61 2e9x s ASP 193 Cb 0.17 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.54 2e9x s ASP 193 CO 0.70 -1.95 0.68 -0.72 0.21 0.00 0.00 175.17 174.09 2e9x s TYR 194 N -1.79 0.07 0.20 4.23 -0.85 -0.97 -5.02 117.35 113.23 2e9x s TYR 194 Ca 0.76 -0.56 0.10 0.00 -0.52 0.00 0.00 57.07 56.84 2e9x s TYR 194 Cb -0.30 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 2e9x s TYR 194 CO 0.40 -1.29 -0.19 0.14 -1.52 0.00 0.00 175.55 173.10 2e9x s VAL 195 N -3.43 2.02 0.15 -3.49 -7.23 -1.26 -1.12 120.40 106.04 2e9x s VAL 195 Ca 0.15 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 2e9x s VAL 195 Cb -0.04 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2e9x s VAL 195 CO 0.09 -0.35 0.02 0.27 -0.31 0.00 0.00 175.10 174.83 2e9x s ILE 196 N -2.24 0.42 -0.05 -0.62 -4.36 -0.69 -4.90 121.20 108.77 2e9x s ILE 196 Ca 0.21 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 58.67 2e9x s ILE 196 Cb -0.05 -2.04 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 2e9x s ILE 196 CO 0.09 -0.51 -0.07 -1.81 0.24 0.00 0.00 174.94 172.88 2e9x s ASP 197 N -3.11 4.64 -0.42 4.36 1.01 -1.26 -0.54 116.67 121.35 2e9x s ASP 197 Ca 0.23 -0.05 -0.12 0.00 0.71 0.00 0.00 52.55 53.31 2e9x s ASP 197 Cb 0.07 -1.14 0.06 0.00 1.01 0.00 0.00 42.92 42.91 2e9x s ASP 197 CO 0.02 0.34 0.28 -0.76 0.21 0.00 0.00 175.17 175.26 2e9x s LEU 198 N -0.97 5.12 0.21 1.23 1.43 0.97 -4.99 118.68 121.69 2e9x s LEU 198 Ca 0.14 -1.25 -0.22 0.00 -1.03 0.00 0.00 54.13 51.76 2e9x s LEU 198 Cb -0.11 -2.06 -0.08 0.00 0.03 0.00 0.00 46.19 43.97 2e9x s LEU 198 CO 0.03 -0.51 0.77 -1.61 0.23 0.00 0.00 176.35 175.26 2e9x s GLU 199 N 1.54 4.39 0.16 1.70 0.41 -1.26 -1.72 118.70 123.92 2e9x s GLU 199 Ca 0.03 1.02 -0.34 0.00 -0.41 0.00 0.00 54.97 55.27 2e9x s GLU 199 Cb -0.22 -2.99 -0.15 0.00 -1.78 0.00 0.00 34.13 28.99 2e9x s GLU 199 CO 0.05 0.44 1.43 1.17 -0.49 0.00 0.00 175.26 177.86 2e9x n LYS 200 N 0.99 1.74 -0.36 1.61 4.81 -1.26 -1.29 118.16 124.40 2e9x n LYS 200 Ca -0.03 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2e9x n LYS 200 Cb 0.50 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.24 2e9x n LYS 200 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2e9x n GLY 201 N 2.76 1.81 3.89 3.14 0.00 0.17 -4.99 105.19 111.96 2e9x n GLY 201 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2e9x n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9x s SER 202 N -3.37 6.01 -0.05 1.61 1.04 -0.41 -4.74 113.70 113.78 2e9x s SER 202 Ca 0.00 1.14 0.05 0.00 0.48 0.00 0.00 55.95 57.62 2e9x s SER 202 Cb 0.00 -2.21 -0.00 0.00 0.10 0.00 0.00 66.02 63.91 2e9x s SER 202 CO 0.00 -0.90 -0.20 -1.10 0.98 0.00 0.00 173.24 172.02 2e9x s GLN 203 N -5.07 2.12 0.14 4.02 -0.21 -1.26 -0.81 119.66 118.59 2e9x s GLN 203 Ca 0.53 -0.71 0.03 0.00 0.02 0.00 0.00 55.36 55.22 2e9x s GLN 203 Cb -0.11 -1.80 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 2e9x s GLN 203 CO 0.50 0.27 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.88 2e9x s HIS 204 N 0.03 1.13 -0.14 0.91 3.76 -0.48 -4.96 115.29 115.53 2e9x s HIS 204 Ca -0.05 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 53.95 2e9x s HIS 204 Cb -0.13 -0.63 0.02 0.00 1.11 0.00 0.00 32.58 32.96 2e9x s HIS 204 CO 0.03 -0.10 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.52 2e9x s LEU 205 N -3.13 1.61 0.13 0.89 2.96 -1.26 -0.71 118.68 119.17 2e9x s LEU 205 Ca 0.18 -0.46 -0.25 0.00 -0.22 0.00 0.00 54.13 53.38 2e9x s LEU 205 Cb 0.05 -1.13 0.07 0.00 0.50 0.00 0.00 46.19 45.68 2e9x s LEU 205 CO 0.00 -0.06 0.78 -0.51 -1.32 0.00 0.00 176.35 175.24 2e9x s ILE 206 N 1.51 0.00 0.32 6.68 2.07 -0.59 -4.98 121.20 126.21 2e9x s ILE 206 Ca 0.05 -0.31 -0.29 0.00 -1.41 0.00 0.00 60.65 58.68 2e9x s ILE 206 Cb -0.13 -1.38 -0.11 0.00 0.13 0.00 0.00 42.46 40.97 2e9x s ILE 206 CO -0.10 0.00 1.42 -0.13 -1.91 0.00 0.00 174.94 174.22 2e9x s ARG 207 N -3.49 4.23 0.16 3.50 0.52 -1.26 -1.36 118.95 121.25 2e9x s ARG 207 Ca 0.06 2.38 -0.13 0.00 -0.52 0.00 0.00 55.73 57.52 2e9x s ARG 207 Cb -0.02 -3.05 0.04 0.00 0.52 0.00 0.00 34.95 32.45 2e9x s ARG 207 CO -0.05 -0.40 1.71 -0.92 0.02 0.00 0.00 175.30 175.66 2e9x h TYR 208 N 3.85 0.80 -0.98 -0.53 3.20 -1.02 -3.31 116.97 118.97 2e9x h TYR 208 Ca -0.49 -0.06 0.18 0.00 3.14 0.00 0.00 58.73 61.50 2e9x h TYR 208 Cb 1.23 -0.24 -0.18 0.00 1.54 0.00 0.00 36.73 39.08 2e9x h TYR 208 CO 0.56 0.66 -0.30 -0.22 -1.64 0.00 0.00 178.16 177.22 2e9x h LYS 209 N 0.70 -0.00 -0.68 1.82 3.64 -0.87 -1.16 116.57 120.02 2e9x h LYS 209 Ca 0.17 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2e9x h LYS 209 Cb 0.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2e9x h LYS 209 CO -0.01 -0.00 0.29 0.00 -2.27 0.00 0.00 179.45 177.45 2e9x h THR 210 N -0.00 1.23 -0.57 1.00 1.03 -1.86 -3.10 112.91 110.64 2e9x h THR 210 Ca 0.42 -0.70 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 2e9x h THR 210 Cb 0.67 0.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.15 2e9x h THR 210 CO -1.00 0.28 0.00 2.30 -0.01 0.00 0.00 175.52 177.09 2e9x n ILE 211 N -4.31 0.75 -0.27 0.00 -6.64 -0.55 -4.65 119.36 103.69 2e9x n ILE 211 Ca 0.06 -0.87 0.07 0.00 -1.77 0.00 0.00 62.75 60.24 2e9x n ILE 211 Cb 0.16 0.73 0.19 0.00 -1.44 0.00 0.00 39.64 39.28 2e9x n ILE 211 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2e9x h ALA 212 N 4.43 0.91 0.00 -1.28 0.00 -1.19 0.37 119.26 122.51 2e9x h ALA 212 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2e9x h ALA 212 Cb 0.99 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2e9x h ALA 212 CO 0.00 -0.42 -0.05 -1.35 0.00 0.00 0.00 179.25 177.43 2e9x h PRO 213 N 0.15 0.00 0.00 0.00 0.11 -1.85 -2.28 132.00 128.13 2e9x h PRO 213 Ca 0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.43 2e9x h PRO 213 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 2e9x h PRO 213 CO -0.65 0.05 -0.57 -0.07 -0.21 0.00 0.00 178.00 176.55 2e9x h LEU 214 N 0.00 0.00 -0.16 2.35 3.38 -1.27 -2.63 115.31 116.99 2e9x h LEU 214 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2e9x h LEU 214 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2e9x h LEU 214 CO 0.01 0.57 -0.24 0.58 0.09 0.00 0.00 178.44 179.45 2e9x h VAL 215 N 0.00 1.36 -0.83 1.22 2.07 -1.23 -1.30 116.25 117.54 2e9x h VAL 215 Ca -0.01 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.08 2e9x h VAL 215 Cb 1.37 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 33.03 2e9x h VAL 215 CO 0.07 0.44 0.55 0.00 0.02 0.00 0.00 177.57 178.65 2e9x h ALA 216 N 0.58 1.48 0.00 1.67 0.00 -1.46 -2.77 119.26 118.75 2e9x h ALA 216 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2e9x h ALA 216 Cb 0.81 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2e9x h ALA 216 CO 0.06 0.45 -0.57 -1.13 0.00 0.00 0.00 179.25 178.05 2e9x n SER 217 N -4.44 0.67 0.00 0.00 3.41 -1.00 -4.95 113.62 107.31 2e9x n SER 217 Ca 0.11 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2e9x n SER 217 Cb 0.09 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2e9x n SER 217 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9x n GLY 218 N 1.36 0.62 0.32 5.00 0.00 -0.83 -4.95 105.19 106.71 2e9x n GLY 218 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2e9x n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e9x h ALA 219 N 0.00 1.67 -2.26 4.61 0.00 -1.54 -3.42 119.26 118.32 2e9x h ALA 219 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 2e9x h ALA 219 Cb 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 17.79 17.45 2e9x h ALA 219 CO 0.00 0.30 -0.72 0.14 0.00 0.00 0.00 179.25 178.96 2e9x s VAL 220 N -5.57 1.31 -0.11 0.00 -7.23 -1.05 -1.22 120.40 106.54 2e9x s VAL 220 Ca -0.09 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.02 2e9x s VAL 220 Cb 0.18 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 35.26 2e9x s VAL 220 CO 0.74 -0.69 -0.16 -1.58 -0.31 0.00 0.00 175.10 173.10 2e9x s GLN 221 N -3.66 2.34 0.31 4.82 2.00 0.12 -4.50 119.66 121.08 2e9x s GLN 221 Ca 0.18 -0.61 -0.27 0.00 -2.00 0.00 0.00 55.36 52.66 2e9x s GLN 221 Cb 0.01 -1.96 -0.09 0.00 0.80 0.00 0.00 33.01 31.77 2e9x s GLN 221 CO 0.02 -0.05 1.00 -0.51 -0.50 0.00 0.00 175.29 175.26 2e9x s LEU 222 N 0.94 4.42 0.00 3.68 1.43 -1.26 0.41 118.68 128.30 2e9x s LEU 222 Ca -0.07 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 2e9x s LEU 222 Cb -0.15 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.21 2e9x s LEU 222 CO -0.01 -0.12 0.00 2.30 0.23 0.00 0.00 176.35 178.74