#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 3.64 0.37 -5.08 -4.23 -1.26 -4.86 115.64 104.22 2e9x s THR 22 Ca 0.00 0.14 0.08 0.00 -1.18 0.00 0.00 61.69 60.73 2e9x s THR 22 Cb 0.00 -3.47 0.31 0.00 1.34 0.00 0.00 72.50 70.68 2e9x s THR 22 CO 0.00 -0.52 1.94 -0.65 -0.54 0.00 0.00 174.62 174.85 2e9x h PRO 23 N -0.29 0.67 -0.27 3.99 0.11 -2.03 0.82 132.00 135.00 2e9x h PRO 23 Ca -0.45 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 2e9x h PRO 23 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2e9x h PRO 23 CO 0.61 0.44 -0.49 0.00 -0.21 0.00 0.00 178.00 178.35 2e9x h ALA 24 N 1.61 0.43 -0.00 -0.75 0.00 -2.00 -2.82 119.26 115.72 2e9x h ALA 24 Ca 0.34 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2e9x h ALA 24 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2e9x h ALA 24 CO -0.13 0.60 -0.39 0.93 0.00 0.00 0.00 179.25 180.26 2e9x h GLU 25 N 0.58 0.01 -0.32 0.00 5.08 -1.70 -2.12 114.58 116.10 2e9x h GLU 25 Ca 0.02 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2e9x h GLU 25 Cb 1.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2e9x h GLU 25 CO 0.11 0.40 0.10 1.25 -1.00 0.00 0.00 179.01 179.87 2e9x h LEU 26 N 0.01 0.47 -0.54 1.33 5.85 -0.75 -0.96 115.31 120.71 2e9x h LEU 26 Ca -0.00 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 2e9x h LEU 26 Cb 0.70 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2e9x h LEU 26 CO 0.05 0.55 0.11 0.40 -0.34 0.00 0.00 178.44 179.22 2e9x h ILE 27 N 0.36 1.25 -0.70 4.05 1.08 -1.25 -1.68 117.51 120.62 2e9x h ILE 27 Ca 0.10 -0.90 0.04 0.00 -0.39 0.00 0.00 64.86 63.71 2e9x h ILE 27 Cb 0.25 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.75 2e9x h ILE 27 CO -0.00 0.33 0.43 -0.08 -0.69 0.00 0.00 178.15 178.13 2e9x h GLU 28 N 0.77 0.79 0.00 2.37 4.57 -1.18 -0.36 114.58 121.54 2e9x h GLU 28 Ca 0.17 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.20 2e9x h GLU 28 Cb 0.37 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2e9x h GLU 28 CO 0.01 0.52 -0.50 0.00 -1.18 0.00 0.00 179.01 177.86 2e9x h ARG 29 N 0.81 0.00 0.12 1.92 3.08 -0.87 -1.92 114.38 117.51 2e9x h ARG 29 Ca 0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2e9x h ARG 29 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2e9x h ARG 29 CO -0.14 0.50 -0.06 1.25 -1.07 0.00 0.00 179.97 180.45 2e9x h LEU 30 N 0.00 -0.13 -1.87 3.04 5.85 -0.33 -1.39 115.31 120.47 2e9x h LEU 30 Ca -0.00 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 2e9x h LEU 30 Cb 0.88 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 2e9x h LEU 30 CO 0.06 0.19 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.93 2e9x h GLU 31 N -0.46 0.00 -0.27 1.25 5.08 -1.03 0.20 114.58 119.35 2e9x h GLU 31 Ca -0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2e9x h GLU 31 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2e9x h GLU 31 CO 0.03 0.09 -0.23 0.37 -1.00 0.00 0.00 179.01 178.26 2e9x h GLN 32 N 0.00 0.63 -0.43 2.33 4.15 -1.18 -1.54 115.11 119.07 2e9x h GLN 32 Ca -0.00 -0.32 -0.12 0.00 0.77 0.00 0.00 58.65 58.98 2e9x h GLN 32 Cb 0.16 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2e9x h GLN 32 CO 0.01 0.91 -0.20 0.00 -1.93 0.00 0.00 178.83 177.62 2e9x h ALA 33 N 0.70 0.60 0.05 3.38 0.00 -0.26 -1.56 119.26 122.17 2e9x h ALA 33 Ca 0.05 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2e9x h ALA 33 Cb 0.78 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2e9x h ALA 33 CO 0.06 0.57 -0.21 2.35 0.00 0.00 0.00 179.25 182.02 2e9x h TRP 34 N 0.72 -0.55 -0.53 0.00 7.01 -0.58 -0.97 115.95 121.04 2e9x h TRP 34 Ca 0.10 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 2e9x h TRP 34 Cb 0.77 0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 28.05 2e9x h TRP 34 CO 0.06 -0.30 0.23 0.52 -2.79 0.00 0.00 178.44 176.16 2e9x h MET 35 N -0.36 0.78 -0.87 2.65 2.86 -1.23 -2.66 114.93 116.10 2e9x h MET 35 Ca 0.04 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2e9x h MET 35 Cb 0.41 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2e9x h MET 35 CO -0.16 0.67 0.56 -0.91 1.06 0.00 0.00 176.91 178.13 2e9x h ASN 36 N 0.72 1.01 0.06 1.22 2.35 -0.98 -2.85 115.58 117.10 2e9x h ASN 36 Ca 0.18 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 2e9x h ASN 36 Cb 0.17 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2e9x h ASN 36 CO -0.02 0.74 -0.43 -0.33 -1.65 0.00 0.00 177.43 175.75 2e9x h GLU 37 N 1.18 0.46 -0.76 0.81 4.39 -1.07 -0.39 114.58 119.20 2e9x h GLU 37 Ca 0.32 -0.24 0.08 0.00 0.34 0.00 0.00 59.36 59.85 2e9x h GLU 37 Cb -0.11 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.48 2e9x h GLU 37 CO -0.07 0.81 0.43 0.87 -1.16 0.00 0.00 179.01 179.89 2e9x h LYS 38 N 0.38 0.73 0.00 2.33 1.57 -1.23 -3.25 116.57 117.10 2e9x h LYS 38 Ca 0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2e9x h LYS 38 Cb 0.91 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 2e9x h LYS 38 CO 0.08 0.48 -1.99 1.19 -0.57 0.00 0.00 179.45 178.64 2e9x n PHE 39 N -4.76 0.00 -2.07 -1.35 3.01 -1.16 -4.95 117.46 106.18 2e9x n PHE 39 Ca 0.11 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.16 2e9x n PHE 39 Cb 0.22 -0.51 -0.02 0.00 -0.01 0.00 0.00 39.48 39.16 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 -3.44 3.59 -1.74 4.37 0.00 -0.17 -4.89 121.76 119.49 2e9x s ALA 40 Ca -0.08 1.27 0.28 0.00 0.00 0.00 0.00 51.96 53.43 2e9x s ALA 40 Cb 0.13 -3.53 1.54 0.00 0.00 0.00 0.00 23.12 21.26 2e9x s ALA 40 CO 0.88 -0.68 1.98 -0.35 0.00 0.00 0.00 175.76 177.59 2e9x n PRO 41 N 2.32 0.66 -4.34 0.00 -0.04 -1.26 -4.81 135.00 127.52 2e9x n PRO 41 Ca 0.06 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.36 2e9x n PRO 41 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.26 1.37 0.02 0.54 -1.05 -1.26 -4.27 118.70 111.79 2e9x s GLU 42 Ca 0.35 -1.70 -0.30 0.00 -0.15 0.00 0.00 54.97 53.17 2e9x s GLU 42 Cb 0.19 -0.67 -0.06 0.00 -0.44 0.00 0.00 34.13 33.16 2e9x s GLU 42 CO 0.37 -0.09 1.37 -1.17 0.95 0.00 0.00 175.26 176.68 2e9x s LEU 43 N -3.33 4.33 0.71 1.83 2.96 -1.26 -5.01 118.68 118.91 2e9x s LEU 43 Ca 0.29 2.12 -0.06 0.00 -0.22 0.00 0.00 54.13 56.26 2e9x s LEU 43 Cb 0.06 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.26 2e9x s LEU 43 CO 0.09 -0.67 1.01 -0.76 -1.32 0.00 0.00 176.35 174.70 2e9x s LEU 44 N 2.04 2.89 0.56 -0.68 1.43 -1.26 -4.98 118.68 118.67 2e9x s LEU 44 Ca 0.63 0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 53.77 2e9x s LEU 44 Cb -0.32 -2.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 2e9x s LEU 44 CO 0.27 -1.70 1.30 -0.62 0.23 0.00 0.00 176.35 175.83 2e9x n GLU 45 N -2.92 1.55 -2.34 1.70 1.02 -1.26 -4.69 120.64 113.70 2e9x n GLU 45 Ca 0.10 0.57 -0.38 0.00 -0.02 0.00 0.00 57.16 57.43 2e9x n GLU 45 Cb 0.60 -2.51 -0.02 0.00 -0.02 0.00 0.00 31.44 29.49 2e9x n GLU 45 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2e9x s SER 46 N -0.98 6.48 -0.61 1.62 0.15 -0.57 -4.95 113.70 114.85 2e9x s SER 46 Ca 0.73 2.27 0.06 0.00 0.70 0.00 0.00 55.95 59.71 2e9x s SER 46 Cb -0.42 -2.61 0.27 0.00 -1.71 0.00 0.00 66.02 61.55 2e9x s SER 46 CO 0.48 -0.70 0.77 0.29 1.20 0.00 0.00 173.24 175.29 2e9x n LYS 47 N -0.09 2.52 -0.23 5.44 4.76 -1.26 -4.92 118.16 124.38 2e9x n LYS 47 Ca 0.05 -4.59 0.04 0.00 -2.87 0.00 0.00 58.31 50.94 2e9x n LYS 47 Cb 0.47 -2.17 0.16 0.00 -1.84 0.00 0.00 35.03 31.65 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 3.90 0.34 -0.55 1.97 0.11 -1.98 -1.76 132.00 134.04 2e9x h PRO 48 Ca 0.18 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 2e9x h PRO 48 Cb 0.65 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 2e9x h PRO 48 CO 0.80 0.22 0.29 0.93 -0.21 0.00 0.00 178.00 180.03 2e9x h GLU 49 N 0.35 0.77 0.45 1.05 5.08 -1.99 -1.41 114.58 118.88 2e9x h GLU 49 Ca 0.38 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2e9x h GLU 49 Cb 0.58 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2e9x h GLU 49 CO -0.42 0.61 -0.21 0.82 -1.00 0.00 0.00 179.01 178.80 2e9x h ILE 50 N 0.74 0.52 -0.14 3.13 2.04 -1.79 -0.90 117.51 121.11 2e9x h ILE 50 Ca 0.19 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.76 2e9x h ILE 50 Cb 0.07 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 2e9x h ILE 50 CO -0.03 0.06 -0.21 0.58 0.00 0.00 0.00 178.15 178.55 2e9x h VAL 51 N -0.81 0.48 -0.44 1.67 2.07 -1.33 -0.11 116.25 117.78 2e9x h VAL 51 Ca -0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2e9x h VAL 51 Cb 0.55 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2e9x h VAL 51 CO 0.10 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 177.61 2e9x h GLU 52 N -0.26 0.49 -0.66 1.57 5.08 -1.27 -1.71 114.58 117.82 2e9x h GLU 52 Ca 0.10 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2e9x h GLU 52 Cb 0.41 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2e9x h GLU 52 CO -0.29 0.32 0.17 0.00 -1.00 0.00 0.00 179.01 178.22 2e9x h VAL 54 N 0.97 1.23 -0.89 0.00 2.07 -0.80 -0.02 116.25 118.83 2e9x h VAL 54 Ca 0.21 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2e9x h VAL 54 Cb 0.35 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2e9x h VAL 54 CO 0.00 0.29 0.57 0.24 0.02 0.00 0.00 177.57 178.69 2e9x h MET 55 N 0.74 1.19 -0.16 1.57 2.07 -1.13 0.45 114.93 119.66 2e9x h MET 55 Ca 0.17 -0.09 -0.01 0.00 -2.07 0.00 0.00 59.70 57.71 2e9x h MET 55 Cb 0.28 -0.26 -0.01 0.00 -1.87 0.00 0.00 31.60 29.75 2e9x h MET 55 CO -0.01 0.81 0.07 0.93 1.07 0.00 0.00 176.91 179.78 2e9x h GLU 56 N 1.21 0.24 -0.69 1.72 5.08 -0.88 0.50 114.58 121.77 2e9x h GLU 56 Ca 0.32 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.73 2e9x h GLU 56 Cb -0.10 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.04 2e9x h GLU 56 CO -0.07 0.30 0.35 1.96 -1.00 0.00 0.00 179.01 180.56 2e9x h GLN 57 N 0.12 0.60 -0.52 2.33 1.08 -0.42 0.24 115.11 118.54 2e9x h GLN 57 Ca 0.05 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.11 2e9x h GLN 57 Cb 0.15 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 2e9x h GLN 57 CO -0.01 0.40 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.09 2e9x h LEU 58 N 0.62 0.99 -0.46 1.46 3.38 -0.63 -2.66 115.31 118.00 2e9x h LEU 58 Ca 0.33 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2e9x h LEU 58 Cb 0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2e9x h LEU 58 CO -0.24 1.10 -0.10 -0.33 0.09 0.00 0.00 178.44 178.96 2e9x h GLU 59 N 0.88 0.89 0.00 1.13 5.08 0.08 -0.99 114.58 121.65 2e9x h GLU 59 Ca 0.14 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2e9x h GLU 59 Cb 0.67 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2e9x h GLU 59 CO 0.05 0.98 -0.10 0.45 -1.00 0.00 0.00 179.01 179.39 2e9x h HIS 60 N 0.73 0.00 0.05 4.33 3.86 -0.48 -3.13 115.15 120.50 2e9x h HIS 60 Ca 0.12 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.98 2e9x h HIS 60 Cb 0.64 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.07 2e9x h HIS 60 CO 0.05 0.10 -2.08 -0.12 0.86 0.00 0.00 177.93 176.73 2e9x n MET 61 N -3.41 0.69 0.21 2.45 0.00 -1.01 -4.07 117.12 111.98 2e9x n MET 61 Ca -0.01 0.21 0.14 0.00 -0.00 0.00 0.00 57.70 58.03 2e9x n MET 61 Cb 0.26 -1.66 0.74 0.00 0.00 0.00 0.00 33.22 32.56 2e9x n MET 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2e9x h GLU 62 N 0.03 0.00 0.01 2.12 5.08 -1.12 -2.71 114.58 117.98 2e9x h GLU 62 Ca -0.44 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.74 2e9x h GLU 62 Cb 2.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.26 2e9x h GLU 62 CO 0.04 0.00 -0.97 0.93 -1.00 0.00 0.00 179.01 178.01 2e9x h GLU 63 N 0.00 0.01 0.00 2.33 5.08 -1.71 -3.51 114.58 116.78 2e9x h GLU 63 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2e9x h GLU 63 Cb 0.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2e9x h GLU 63 CO 0.00 1.01 0.00 0.09 -1.00 0.00 0.00 179.01 179.11 2e9x n ASN 64 N -4.45 -1.62 -1.21 1.42 3.02 -1.02 -5.17 115.26 106.22 2e9x n ASN 64 Ca -0.27 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 2e9x n ASN 64 Cb 0.64 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 2e9x n ASN 64 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2e9x n GLU 71 N -1.67 2.88 0.00 3.52 -0.58 -1.26 -4.99 120.64 118.53 2e9x n GLU 71 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 2e9x n GLU 71 Cb 0.00 0.00 0.66 0.00 -0.57 0.00 0.00 31.44 31.53 2e9x n GLU 71 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2e9x n ASP 72 N 0.00 0.12 0.00 1.62 8.00 -1.26 -3.24 116.55 121.79 2e9x n ASP 72 Ca 0.00 -0.03 -0.17 0.00 0.71 0.00 0.00 54.79 55.30 2e9x n ASP 72 Cb 0.00 -0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 2e9x n ASP 72 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2e9x h LEU 73 N 0.10 0.37 -1.01 0.64 7.12 -2.05 -2.40 115.31 118.09 2e9x h LEU 73 Ca 0.00 -0.86 -0.05 0.00 0.13 0.00 0.00 57.88 57.10 2e9x h LEU 73 Cb 0.38 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.37 2e9x h LEU 73 CO 0.00 1.19 0.13 0.11 -0.13 0.00 0.00 178.44 179.74 2e9x h LYS 74 N -0.39 0.85 -0.21 1.25 1.57 -2.00 -2.05 116.57 115.58 2e9x h LYS 74 Ca -0.08 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.38 2e9x h LYS 74 Cb 1.32 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2e9x h LYS 74 CO 0.10 0.76 -0.47 -0.39 -0.57 0.00 0.00 179.45 178.89 2e9x h VAL 75 N 0.81 1.31 -0.41 0.50 -1.51 -1.61 -1.80 116.25 113.54 2e9x h VAL 75 Ca 0.18 -1.67 -0.10 0.00 -1.23 0.00 0.00 66.70 63.88 2e9x h VAL 75 Cb 0.30 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 2e9x h VAL 75 CO -0.00 0.52 -0.16 0.28 -1.23 0.00 0.00 177.57 176.98 2e9x h SER 76 N 0.44 0.78 -0.24 4.19 0.02 -1.11 -1.07 113.55 116.56 2e9x h SER 76 Ca 0.03 -0.25 -0.18 0.00 -0.84 0.00 0.00 61.79 60.55 2e9x h SER 76 Cb 0.98 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 2e9x h SER 76 CO 0.09 0.94 -0.53 0.40 -1.14 0.00 0.00 176.83 176.59 2e9x h ILE 77 N 0.69 1.28 -0.52 3.27 2.04 -1.24 -2.18 117.51 120.85 2e9x h ILE 77 Ca 0.11 -1.72 -0.06 0.00 1.00 0.00 0.00 64.86 64.19 2e9x h ILE 77 Cb 0.65 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2e9x h ILE 77 CO 0.05 0.56 0.11 0.45 0.00 0.00 0.00 178.15 179.31 2e9x h HIS 78 N 0.64 0.89 -0.83 1.37 3.86 -1.16 -2.34 115.15 117.58 2e9x h HIS 78 Ca 0.02 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 2e9x h HIS 78 Cb 1.12 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 29.30 2e9x h HIS 78 CO 0.07 0.79 0.45 1.96 0.86 0.00 0.00 177.93 182.06 2e9x h GLN 79 N 0.73 1.15 -0.65 2.45 4.20 -1.13 -0.45 115.11 121.41 2e9x h GLN 79 Ca 0.16 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2e9x h GLN 79 Cb 0.37 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2e9x h GLN 79 CO 0.01 0.84 0.32 0.52 -0.67 0.00 0.00 178.83 179.85 2e9x h MET 80 N 1.16 0.93 -0.45 1.46 2.86 -1.12 -0.94 114.93 118.83 2e9x h MET 80 Ca 0.29 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 2e9x h MET 80 Cb 0.03 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2e9x h MET 80 CO -0.05 0.74 0.10 1.49 1.06 0.00 0.00 176.91 180.25 2e9x h GLU 81 N 0.89 0.73 -0.86 1.72 4.81 -0.88 -1.98 114.58 119.01 2e9x h GLU 81 Ca 0.22 -0.18 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 2e9x h GLU 81 Cb 0.11 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.33 2e9x h GLU 81 CO -0.03 0.73 0.52 0.52 -0.73 0.00 0.00 179.01 180.02 2e9x h MET 82 N 0.60 0.88 -0.77 1.92 2.86 -0.72 -0.61 114.93 119.10 2e9x h MET 82 Ca 0.14 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2e9x h MET 82 Cb 0.33 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 2e9x h MET 82 CO 0.00 0.58 0.43 0.93 1.06 0.00 0.00 176.91 179.91 2e9x h GLU 83 N 0.91 1.07 -0.37 1.72 5.08 -0.77 0.22 114.58 122.44 2e9x h GLU 83 Ca 0.39 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2e9x h GLU 83 Cb 0.26 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2e9x h GLU 83 CO -0.21 0.79 0.17 0.00 -1.00 0.00 0.00 179.01 178.76 2e9x h ARG 84 N 1.06 0.53 -0.47 2.33 3.08 -0.43 -0.81 114.38 119.67 2e9x h ARG 84 Ca 0.27 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.11 2e9x h ARG 84 Cb 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2e9x h ARG 84 CO -0.04 0.49 -0.23 0.82 -1.07 0.00 0.00 179.97 179.94 2e9x h ILE 85 N 0.46 1.27 -0.79 2.04 2.04 -0.87 -2.87 117.51 118.78 2e9x h ILE 85 Ca 0.13 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 2e9x h ILE 85 Cb 0.13 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2e9x h ILE 85 CO -0.01 0.48 0.33 -0.09 0.00 0.00 0.00 178.15 178.86 2e9x h ARG 86 N 0.84 1.17 -0.00 2.37 2.43 -0.39 -2.32 114.38 118.48 2e9x h ARG 86 Ca 0.11 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2e9x h ARG 86 Cb 0.81 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2e9x h ARG 86 CO 0.07 0.94 0.00 -0.92 -1.51 0.00 0.00 179.97 178.55 2e9x h TYR 87 N 1.14 0.00 -0.62 2.20 3.20 -1.05 -1.47 116.97 120.37 2e9x h TYR 87 Ca 0.27 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.15 2e9x h TYR 87 Cb 0.19 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2e9x h TYR 87 CO 0.02 0.03 0.40 0.28 -1.64 0.00 0.00 178.16 177.25 2e9x h VAL 88 N -0.03 1.14 -0.08 1.81 2.07 -1.36 -0.04 116.25 119.76 2e9x h VAL 88 Ca 0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2e9x h VAL 88 Cb 0.03 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2e9x h VAL 88 CO -0.00 0.15 0.03 0.25 0.02 0.00 0.00 177.57 178.02 2e9x h LEU 89 N 0.82 0.11 -0.24 2.57 5.85 -1.31 0.23 115.31 123.33 2e9x h LEU 89 Ca 0.23 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2e9x h LEU 89 Cb -0.07 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2e9x h LEU 89 CO -0.06 0.27 0.13 0.28 -0.34 0.00 0.00 178.44 178.71 2e9x h SER 90 N -0.05 0.20 -0.36 1.25 0.02 -1.08 0.10 113.55 113.64 2e9x h SER 90 Ca 0.03 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2e9x h SER 90 Cb 0.19 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2e9x h SER 90 CO -0.00 0.15 0.18 -1.28 -1.14 0.00 0.00 176.83 174.74 2e9x h SER 91 N 0.27 0.27 -0.10 3.07 0.87 -0.91 0.19 113.55 117.21 2e9x h SER 91 Ca 0.10 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2e9x h SER 91 Cb 0.02 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2e9x h SER 91 CO -0.06 0.20 0.01 0.22 -0.53 0.00 0.00 176.83 176.66 2e9x h TYR 92 N 0.37 0.01 -0.59 2.24 3.20 -0.56 0.62 116.97 122.26 2e9x h TYR 92 Ca 0.15 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2e9x h TYR 92 Cb 0.05 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2e9x h TYR 92 CO -0.10 -0.00 0.12 -0.07 -1.64 0.00 0.00 178.16 176.47 2e9x h LEU 93 N 0.04 0.88 -0.27 2.82 3.38 -0.45 -1.91 115.31 119.79 2e9x h LEU 93 Ca 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2e9x h LEU 93 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2e9x h LEU 93 CO -0.08 0.87 0.10 0.03 0.09 0.00 0.00 178.44 179.45 2e9x h ARG 94 N 0.88 0.42 -0.52 1.13 3.08 -0.28 -1.87 114.38 117.22 2e9x h ARG 94 Ca 0.19 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2e9x h ARG 94 Cb 0.35 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 2e9x h ARG 94 CO 0.00 0.46 0.21 0.00 -1.07 0.00 0.00 179.97 179.58 2e9x h ARG 96 N 0.40 1.12 -0.65 0.00 3.08 -1.15 -2.54 114.38 114.65 2e9x h ARG 96 Ca 0.25 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2e9x h ARG 96 Cb 0.25 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2e9x h ARG 96 CO -0.24 0.91 0.31 -0.07 -1.07 0.00 0.00 179.97 179.81 2e9x h LEU 97 N 1.09 0.83 -0.70 3.04 3.38 -0.67 -0.60 115.31 121.67 2e9x h LEU 97 Ca 0.25 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2e9x h LEU 97 Cb 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2e9x h LEU 97 CO -0.02 0.70 0.46 -0.03 0.09 0.00 0.00 178.44 179.64 2e9x h MET 98 N 0.92 0.92 -0.37 1.13 4.05 -0.89 -0.72 114.93 119.96 2e9x h MET 98 Ca 0.23 -0.06 -0.14 0.00 -0.28 0.00 0.00 59.70 59.45 2e9x h MET 98 Cb 0.10 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 2e9x h MET 98 CO -0.03 0.61 -0.32 0.87 0.23 0.00 0.00 176.91 178.27 2e9x h LYS 99 N 0.95 0.86 -0.40 0.39 1.57 -0.98 -0.65 116.57 118.32 2e9x h LYS 99 Ca 0.26 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2e9x h LYS 99 Cb -0.11 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2e9x h LYS 99 CO -0.06 1.08 0.25 0.82 -0.57 0.00 0.00 179.45 180.97 2e9x h ILE 100 N 0.66 1.07 -0.55 1.86 2.04 -0.82 -0.99 117.51 120.77 2e9x h ILE 100 Ca 0.06 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 2e9x h ILE 100 Cb 0.90 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2e9x h ILE 100 CO 0.08 0.09 0.04 -0.33 0.00 0.00 0.00 178.15 178.04 2e9x h GLU 101 N 0.51 0.95 -0.81 2.37 5.08 -1.07 0.30 114.58 121.91 2e9x h GLU 101 Ca 0.15 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2e9x h GLU 101 Cb -0.03 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 2e9x h GLU 101 CO -0.05 0.94 0.47 -0.22 -1.00 0.00 0.00 179.01 179.15 2e9x h LYS 102 N 0.84 1.10 -0.11 2.33 3.64 -0.71 -3.14 116.57 120.52 2e9x h LYS 102 Ca 0.16 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2e9x h LYS 102 Cb 0.48 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2e9x h LYS 102 CO 0.02 0.79 -0.14 1.19 -2.27 0.00 0.00 179.45 179.04 2e9x n PHE 103 N -4.45 0.37 -0.25 1.91 3.01 -0.41 -4.83 117.46 112.81 2e9x n PHE 103 Ca 0.08 -1.21 0.16 0.00 1.01 0.00 0.00 57.45 57.49 2e9x n PHE 103 Cb 0.07 -0.27 0.30 0.00 -0.01 0.00 0.00 39.48 39.57 2e9x n PHE 103 CO 0.00 0.00 0.00 1.97 1.01 0.00 0.00 176.76 179.74 2e9x n PHE 104 N -1.13 0.63 0.11 1.38 1.16 0.10 0.60 117.46 120.31 2e9x n PHE 104 Ca 0.21 0.91 -0.00 0.00 -1.87 0.00 0.00 57.45 56.69 2e9x n PHE 104 Cb 0.77 -1.16 0.29 0.00 -1.61 0.00 0.00 39.48 37.77 2e9x n PHE 104 CO 0.00 0.00 0.00 -1.35 -1.87 0.00 0.00 176.76 173.54 2e9x h PRO 105 N 0.00 0.22 0.14 3.97 0.11 -1.89 -2.84 132.00 131.71 2e9x h PRO 105 Ca 0.53 -0.08 -0.25 0.00 0.11 0.00 0.00 66.00 66.30 2e9x h PRO 105 Cb 1.22 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.35 2e9x h PRO 105 CO -0.67 0.52 -1.07 0.45 -0.21 0.00 0.00 178.00 177.03 2e9x h HIS 106 N 0.19 0.80 -0.36 0.65 3.86 -0.21 -2.47 115.15 117.62 2e9x h HIS 106 Ca 0.03 -0.54 -0.03 0.00 -1.16 0.00 0.00 60.37 58.67 2e9x h HIS 106 Cb 0.66 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 2e9x h HIS 106 CO 0.01 1.40 0.09 -0.39 0.86 0.00 0.00 177.93 179.89 2e9x h VAL 107 N -0.02 1.17 -0.17 2.45 -1.51 -1.37 -0.79 116.25 116.01 2e9x h VAL 107 Ca -0.17 -0.58 -0.15 0.00 -1.23 0.00 0.00 66.70 64.56 2e9x h VAL 107 Cb 1.80 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 2e9x h VAL 107 CO 0.20 0.21 -0.48 -0.07 -1.23 0.00 0.00 177.57 176.20 2e9x h LEU 108 N 0.51 0.71 -0.93 4.19 3.38 -1.56 -2.38 115.31 119.24 2e9x h LEU 108 Ca 0.12 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 2e9x h LEU 108 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2e9x h LEU 108 CO -0.00 1.17 0.02 -0.08 0.09 0.00 0.00 178.44 179.64 2e9x h GLU 109 N 0.29 0.80 -0.40 1.13 4.57 -1.12 -0.83 114.58 119.03 2e9x h GLU 109 Ca -0.01 -0.21 -0.14 0.00 -1.18 0.00 0.00 59.36 57.82 2e9x h GLU 109 Cb 1.10 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 2e9x h GLU 109 CO 0.10 0.80 -0.29 -0.22 -1.18 0.00 0.00 179.01 178.22 2e9x h LYS 110 N 0.75 0.87 -0.36 1.92 3.64 -1.16 -1.86 116.57 120.37 2e9x h LYS 110 Ca 0.15 -0.40 -0.14 0.00 -1.27 0.00 0.00 60.65 58.99 2e9x h LYS 110 Cb 0.43 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2e9x h LYS 110 CO 0.02 1.04 -0.34 1.49 -2.27 0.00 0.00 179.45 179.39 2e9x h GLU 111 N 0.74 0.82 -0.58 1.90 4.57 -1.22 -1.29 114.58 119.52 2e9x h GLU 111 Ca 0.08 -0.40 -0.04 0.00 -1.18 0.00 0.00 59.36 57.83 2e9x h GLU 111 Cb 0.85 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 2e9x h GLU 111 CO 0.07 1.04 0.22 -0.22 -1.18 0.00 0.00 179.01 178.94 2e9x h LYS 112 N 0.69 0.85 -0.68 1.92 3.64 -0.95 -2.82 116.57 119.23 2e9x h LYS 112 Ca 0.07 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2e9x h LYS 112 Cb 0.90 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2e9x h LYS 112 CO 0.08 0.71 0.00 2.41 -2.27 0.00 0.00 179.45 180.38 2e9x n THR 113 N -4.32 0.90 -2.05 1.00 -1.04 -0.72 -4.98 114.28 103.07 2e9x n THR 113 Ca 0.05 -0.92 -0.42 0.00 -2.04 0.00 0.00 64.05 60.71 2e9x n THR 113 Cb 0.17 0.52 -0.03 0.00 -1.82 0.00 0.00 70.33 69.18 2e9x n THR 113 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2e9x s ARG 114 N -1.10 4.27 0.11 -2.82 3.52 -0.50 -4.97 118.95 117.46 2e9x s ARG 114 Ca 0.46 2.22 -0.30 0.00 -0.13 0.00 0.00 55.73 57.98 2e9x s ARG 114 Cb 0.24 -3.19 -0.07 0.00 -1.56 0.00 0.00 34.95 30.37 2e9x s ARG 114 CO 0.32 -0.50 1.21 -2.14 -0.81 0.00 0.00 175.30 173.38 2e9x s PRO 115 N 0.96 4.45 0.40 5.12 0.02 -1.26 -4.96 135.00 139.73 2e9x s PRO 115 Ca 0.66 1.83 -0.22 0.00 0.02 0.00 0.00 61.00 63.29 2e9x s PRO 115 Cb -0.40 -3.30 -0.15 0.00 0.02 0.00 0.00 34.50 30.67 2e9x s PRO 115 CO 0.32 -0.20 0.28 0.39 -0.33 0.00 0.00 177.00 177.45 2e9x n GLU 116 N 3.42 0.20 0.00 5.54 4.71 -1.26 -1.26 120.64 131.99 2e9x n GLU 116 Ca 0.07 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 2e9x n GLU 116 Cb 0.45 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 29.70 2e9x n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2e9x n GLY 117 N 2.12 1.33 3.76 0.62 0.00 -1.26 -4.98 105.19 106.78 2e9x n GLY 117 Ca 0.12 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2e9x n GLY 117 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2e9x n GLU 118 N 0.00 2.67 -1.72 1.61 2.13 -0.39 -4.90 120.64 120.04 2e9x n GLU 118 Ca 0.00 0.94 -0.42 0.00 0.66 0.00 0.00 57.16 58.34 2e9x n GLU 118 Cb 0.00 -2.69 -0.03 0.00 0.27 0.00 0.00 31.44 29.00 2e9x n GLU 118 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2e9x n PRO 119 N 1.04 2.72 -2.67 5.31 -0.02 -1.26 -4.89 135.00 135.23 2e9x n PRO 119 Ca 0.04 0.98 -0.32 0.00 -2.02 0.00 0.00 63.50 62.18 2e9x n PRO 119 Cb 0.38 -2.81 -0.05 0.00 -0.02 0.00 0.00 33.50 31.00 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 1.05 6.72 -0.01 2.55 0.15 -1.26 -4.94 113.70 117.95 2e9x s SER 120 Ca 0.74 1.51 0.17 0.00 0.70 0.00 0.00 55.95 59.06 2e9x s SER 120 Cb -0.52 -2.47 0.50 0.00 -1.71 0.00 0.00 66.02 61.82 2e9x s SER 120 CO 0.35 -0.45 1.42 -1.20 1.20 0.00 0.00 173.24 174.55 2e9x n SER 121 N -1.13 3.11 -3.85 5.45 7.64 -1.26 -1.50 113.62 122.08 2e9x n SER 121 Ca 0.06 -2.05 -0.12 0.00 1.01 0.00 0.00 58.87 57.77 2e9x n SER 121 Cb 0.54 -0.39 -0.12 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.07 1.61 0.73 -3.43 1.43 -1.26 -4.33 118.68 112.36 2e9x s LEU 122 Ca 0.38 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 2e9x s LEU 122 Cb 0.20 0.41 0.06 0.00 0.03 0.00 0.00 46.19 46.90 2e9x s LEU 122 CO 0.25 -0.10 1.06 -0.94 0.23 0.00 0.00 176.35 176.85 2e9x s SER 123 N -0.24 4.76 0.42 2.29 1.04 -1.26 -4.83 113.70 115.88 2e9x s SER 123 Ca -0.03 0.58 0.11 0.00 0.48 0.00 0.00 55.95 57.09 2e9x s SER 123 Cb -0.02 -1.20 0.92 0.00 0.10 0.00 0.00 66.02 65.82 2e9x s SER 123 CO 0.00 -1.67 2.00 -0.65 0.98 0.00 0.00 173.24 173.91 2e9x h PRO 124 N -0.72 0.23 -0.29 4.02 0.11 -2.01 -1.29 132.00 132.04 2e9x h PRO 124 Ca -0.45 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 2e9x h PRO 124 Cb 1.32 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2e9x h PRO 124 CO 0.62 0.28 -0.45 0.93 -0.21 0.00 0.00 178.00 179.17 2e9x h GLU 125 N 0.23 0.82 -0.25 1.05 3.07 -2.00 -2.71 114.58 114.80 2e9x h GLU 125 Ca 0.05 -0.49 -0.12 0.00 -0.50 0.00 0.00 59.36 58.30 2e9x h GLU 125 Cb 0.20 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 2e9x h GLU 125 CO 0.01 1.13 -0.36 0.93 -1.40 0.00 0.00 179.01 179.32 2e9x h GLU 126 N 0.59 0.54 -0.79 2.33 5.08 -1.85 -2.04 114.58 118.44 2e9x h GLU 126 Ca 0.03 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2e9x h GLU 126 Cb 1.05 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2e9x h GLU 126 CO 0.10 0.82 0.30 1.25 -1.00 0.00 0.00 179.01 180.49 2e9x h LEU 127 N 0.45 1.10 -0.34 1.33 5.85 -1.21 0.28 115.31 122.78 2e9x h LEU 127 Ca 0.05 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2e9x h LEU 127 Cb 0.83 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2e9x h LEU 127 CO 0.07 0.98 0.09 0.00 -0.34 0.00 0.00 178.44 179.25 2e9x h ALA 128 N 1.16 0.45 -0.69 1.25 0.00 -1.22 0.17 119.26 120.38 2e9x h ALA 128 Ca 0.26 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2e9x h ALA 128 Cb 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2e9x h ALA 128 CO -0.02 0.11 0.44 0.35 0.00 0.00 0.00 179.25 180.13 2e9x h PHE 129 N 0.40 0.83 -0.45 0.00 3.57 -1.00 -1.30 116.94 118.99 2e9x h PHE 129 Ca 0.11 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 2e9x h PHE 129 Cb 0.28 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2e9x h PHE 129 CO 0.01 0.49 0.05 0.00 -2.23 0.00 0.00 178.31 176.63 2e9x h ALA 130 N 1.28 0.60 -0.35 2.41 0.00 -0.63 0.17 119.26 122.74 2e9x h ALA 130 Ca 0.27 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2e9x h ALA 130 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2e9x h ALA 130 CO -0.09 0.34 0.15 0.00 0.00 0.00 0.00 179.25 179.66 2e9x h ARG 131 N 0.61 0.31 -0.32 0.00 3.08 -0.64 -1.33 114.38 116.10 2e9x h ARG 131 Ca 0.13 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 2e9x h ARG 131 Cb 0.42 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2e9x h ARG 131 CO 0.01 0.21 -0.11 0.93 -1.07 0.00 0.00 179.97 179.94 2e9x h GLU 132 N 0.32 0.55 -0.45 0.04 5.08 -1.03 -1.54 114.58 117.55 2e9x h GLU 132 Ca 0.15 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2e9x h GLU 132 Cb 0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2e9x h GLU 132 CO -0.12 0.66 -0.02 0.35 -1.00 0.00 0.00 179.01 178.88 2e9x h PHE 133 N 0.51 0.90 0.62 4.33 3.57 -0.53 -1.37 116.94 124.97 2e9x h PHE 133 Ca 0.09 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 2e9x h PHE 133 Cb 0.51 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 39.02 2e9x h PHE 133 CO 0.02 0.88 -0.30 1.98 -2.23 0.00 0.00 178.31 178.66 2e9x h MET 134 N 0.66 -0.80 -0.55 1.11 4.05 -1.00 -1.61 114.93 116.78 2e9x h MET 134 Ca 0.13 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.67 2e9x h MET 134 Cb 0.53 0.18 -0.06 0.00 -0.80 0.00 0.00 31.60 31.46 2e9x h MET 134 CO 0.03 -0.51 0.24 0.00 0.23 0.00 0.00 176.91 176.89 2e9x h ALA 135 N -0.55 0.71 -0.85 0.39 0.00 -1.27 0.71 119.26 118.39 2e9x h ALA 135 Ca -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2e9x h ALA 135 Cb 0.66 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2e9x h ALA 135 CO 0.14 -0.14 0.51 -0.97 0.00 0.00 0.00 179.25 178.79 2e9x h ASN 136 N 0.45 1.03 0.06 0.00 -1.24 -1.22 -1.51 115.58 113.16 2e9x h ASN 136 Ca 0.26 -0.07 -0.27 0.00 0.71 0.00 0.00 56.30 56.93 2e9x h ASN 136 Cb 0.25 -0.26 0.02 0.00 0.73 0.00 0.00 38.32 39.06 2e9x h ASN 136 CO -0.23 0.80 -1.10 0.74 -1.29 0.00 0.00 177.43 176.35 2e9x h THR 137 N 1.17 1.29 -0.29 -3.57 2.02 -0.69 -2.22 112.91 110.62 2e9x h THR 137 Ca 0.30 -2.32 -0.04 0.00 0.77 0.00 0.00 66.41 65.12 2e9x h THR 137 Cb -0.04 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 2e9x h THR 137 CO -0.06 0.71 0.00 -0.33 0.37 0.00 0.00 175.52 176.22 2e9x h GLU 138 N 0.35 0.50 -0.58 6.66 5.08 -0.81 -1.84 114.58 123.94 2e9x h GLU 138 Ca -0.14 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 2e9x h GLU 138 Cb 1.76 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 2e9x h GLU 138 CO 0.21 0.65 0.12 0.66 -1.00 0.00 0.00 179.01 179.66 2e9x h SER 139 N 0.29 0.86 0.01 1.42 4.64 -1.35 0.28 113.55 119.71 2e9x h SER 139 Ca 0.08 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2e9x h SER 139 Cb 0.42 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2e9x h SER 139 CO 0.01 0.85 -0.01 0.22 -0.87 0.00 0.00 176.83 177.04 2e9x h TYR 140 N 0.87 -0.01 -0.64 4.77 3.20 -1.25 -1.78 116.97 122.13 2e9x h TYR 140 Ca 0.19 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 2e9x h TYR 140 Cb 0.34 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 2e9x h TYR 140 CO 0.02 0.10 0.13 -0.07 -1.64 0.00 0.00 178.16 176.70 2e9x h LEU 141 N -0.13 0.98 -0.17 2.82 3.38 -1.13 -1.67 115.31 119.40 2e9x h LEU 141 Ca -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2e9x h LEU 141 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2e9x h LEU 141 CO 0.00 0.97 0.07 0.50 0.09 0.00 0.00 178.44 180.07 2e9x h LYS 142 N 0.98 0.24 -0.03 1.13 3.64 -0.83 -1.61 116.57 120.09 2e9x h LYS 142 Ca 0.20 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 2e9x h LYS 142 Cb 0.39 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2e9x h LYS 142 CO 0.01 0.30 -0.73 -0.91 -2.27 0.00 0.00 179.45 175.85 2e9x h ASN 143 N 0.13 0.20 0.64 4.20 -0.26 -1.27 0.14 115.58 119.35 2e9x h ASN 143 Ca 0.06 -0.14 -0.27 0.00 -0.56 0.00 0.00 56.30 55.39 2e9x h ASN 143 Cb 0.14 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.31 2e9x h ASN 143 CO -0.01 0.86 -1.42 0.58 -1.06 0.00 0.00 177.43 176.38 2e9x h VAL 144 N 0.11 1.23 0.00 2.81 2.07 -1.32 -3.46 116.25 117.69 2e9x h VAL 144 Ca -0.02 -2.97 0.00 0.00 0.82 0.00 0.00 66.70 64.53 2e9x h VAL 144 Cb 1.29 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 2e9x h VAL 144 CO 0.11 0.76 0.00 0.00 0.02 0.00 0.00 177.57 178.46 2e9x n ALA 145 N -2.53 2.74 -0.17 1.67 0.00 -0.80 -4.89 120.51 116.53 2e9x n ALA 145 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 2e9x n ALA 145 Cb 1.01 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.54 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 0.14 -1.78 0.00 3.38 -1.27 -1.38 115.31 114.40 2e9x h LEU 146 Ca 0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2e9x h LEU 146 Cb 0.00 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2e9x h LEU 146 CO 0.00 0.10 -0.07 0.07 0.09 0.00 0.00 178.44 178.63 2e9x h LYS 147 N 0.33 0.00 -0.14 1.13 2.10 -0.97 -2.24 116.57 116.78 2e9x h LYS 147 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 2e9x h LYS 147 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2e9x h LYS 147 CO -0.29 0.07 0.00 0.72 -2.00 0.00 0.00 179.45 177.94 2e9x n HIS 148 N -3.27 0.18 -3.23 0.07 8.25 -0.54 -4.91 115.22 111.77 2e9x n HIS 148 Ca -0.01 -0.09 -0.20 0.00 -0.26 0.00 0.00 57.72 57.16 2e9x n HIS 148 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.82 3.06 0.57 -0.41 -1.94 -0.84 -5.06 119.30 112.85 2e9x s MET 149 Ca 0.32 -0.82 -0.18 0.00 -1.71 0.00 0.00 55.69 53.30 2e9x s MET 149 Cb 0.17 -2.71 -0.08 0.00 2.01 0.00 0.00 34.83 34.23 2e9x s MET 149 CO 0.26 -0.11 0.64 -2.30 -0.01 0.00 0.00 175.02 173.50 2e9x n PRO 150 N -1.85 0.61 -0.37 2.03 -0.02 -1.26 -4.72 135.00 129.42 2e9x n PRO 150 Ca 0.01 0.24 0.30 0.00 -2.02 0.00 0.00 63.50 62.03 2e9x n PRO 150 Cb 0.58 -1.81 0.56 0.00 -0.02 0.00 0.00 33.50 32.81 2e9x n PRO 150 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2e9x h PRO 151 N 0.31 0.18 -0.16 0.52 0.11 -1.95 -0.90 132.00 130.11 2e9x h PRO 151 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2e9x h PRO 151 Cb 1.39 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2e9x h PRO 151 CO 0.48 0.12 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 2e9x n ASN 152 N -4.92 2.41 -0.04 -2.05 6.94 -1.26 -4.15 115.26 112.19 2e9x n ASN 152 Ca 0.34 -1.81 0.04 0.00 -0.02 0.00 0.00 54.58 53.14 2e9x n ASN 152 Cb 1.19 -0.09 0.06 0.00 -2.36 0.00 0.00 39.78 38.57 2e9x n ASN 152 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2e9x n LEU 153 N 0.84 2.06 0.01 -4.53 4.77 -0.35 -4.71 117.00 115.09 2e9x n LEU 153 Ca 0.17 -2.37 0.13 0.00 -0.03 0.00 0.00 56.01 53.92 2e9x n LEU 153 Cb 0.47 -0.17 0.48 0.00 -2.33 0.00 0.00 43.42 41.87 2e9x n LEU 153 CO 0.15 0.57 0.79 0.00 -1.33 0.00 0.00 177.39 177.57 2e9x n GLN 154 N -0.85 0.04 -3.78 3.23 6.02 -1.18 -4.76 117.38 116.11 2e9x n GLN 154 Ca 0.06 0.03 -0.36 0.00 -0.01 0.00 0.00 57.00 56.72 2e9x n GLN 154 Cb 0.42 -1.54 -0.12 0.00 1.02 0.00 0.00 30.24 30.02 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 -3.02 3.80 -0.19 -1.09 -0.14 -1.26 -4.75 119.74 113.09 2e9x s LYS 155 Ca 0.12 -0.41 0.01 0.00 -1.36 0.00 0.00 55.97 54.34 2e9x s LYS 155 Cb 0.18 -3.38 0.03 0.00 -1.68 0.00 0.00 37.83 32.98 2e9x s LYS 155 CO 0.59 -0.08 -0.17 0.08 -0.76 0.00 0.00 175.35 175.01 2e9x s VAL 156 N 1.36 1.99 -0.44 3.17 1.01 -1.26 -5.08 120.40 121.14 2e9x s VAL 156 Ca 0.06 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 2e9x s VAL 156 Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.37 2e9x s VAL 156 CO 0.05 0.40 1.26 -0.62 0.00 0.00 0.00 175.10 176.19 2e9x s ASP 157 N 1.29 6.51 0.47 3.32 2.15 -1.26 -4.91 116.67 124.24 2e9x s ASP 157 Ca 0.02 0.66 0.31 0.00 0.43 0.00 0.00 52.55 53.97 2e9x s ASP 157 Cb -0.15 -2.55 1.30 0.00 -0.30 0.00 0.00 42.92 41.23 2e9x s ASP 157 CO -0.11 -1.32 1.92 -0.07 -0.17 0.00 0.00 175.17 175.42 2e9x h LEU 158 N 11.63 0.00 -0.60 -1.34 3.38 -1.98 -0.83 115.31 125.57 2e9x h LEU 158 Ca -0.25 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 2e9x h LEU 158 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2e9x h LEU 158 CO 1.11 0.00 -0.15 -0.26 0.09 0.00 0.00 178.44 179.22 2e9x h PHE 159 N 0.00 1.07 0.00 1.13 0.05 -1.91 -1.18 116.94 116.10 2e9x h PHE 159 Ca 0.00 -0.23 -0.23 0.00 3.82 0.00 0.00 57.97 61.33 2e9x h PHE 159 Cb 0.44 -0.26 -0.04 0.00 2.00 0.00 0.00 35.95 38.10 2e9x h PHE 159 CO 0.00 1.02 -1.30 0.00 -0.18 0.00 0.00 178.31 177.86 2e9x h ARG 160 N 0.84 0.00 0.00 1.51 3.08 -1.89 -3.36 114.38 114.56 2e9x h ARG 160 Ca 0.12 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 2e9x h ARG 160 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2e9x h ARG 160 CO 0.05 0.66 -0.82 0.00 -1.07 0.00 0.00 179.97 178.79 2e9x h ALA 161 N 1.10 0.53 -3.09 0.04 0.00 -1.06 -3.43 119.26 113.34 2e9x h ALA 161 Ca -0.14 -0.74 -0.63 0.00 0.00 0.00 0.00 54.91 53.39 2e9x h ALA 161 Cb 1.81 -0.13 -0.18 0.00 0.00 0.00 0.00 17.79 19.29 2e9x h ALA 161 CO 0.09 1.02 -0.58 0.08 0.00 0.00 0.00 179.25 179.87 2e9x s VAL 162 N -2.92 4.72 0.47 0.00 1.01 -0.46 -5.05 120.40 118.17 2e9x s VAL 162 Ca 0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 2e9x s VAL 162 Cb 0.10 -3.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.22 2e9x s VAL 162 CO 0.79 0.38 1.20 -2.65 0.00 0.00 0.00 175.10 174.81 2e9x n PRO 163 N 4.32 1.63 -2.72 2.72 -0.02 -1.26 -4.81 135.00 134.85 2e9x n PRO 163 Ca -0.16 0.59 -0.26 0.00 -2.02 0.00 0.00 63.50 61.65 2e9x n PRO 163 Cb 0.52 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 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 -2.38 3.20 0.47 -0.52 1.02 -1.26 -4.79 119.74 115.48 2e9x s LYS 164 Ca 0.66 -0.10 -0.24 0.00 0.02 0.00 0.00 55.97 56.30 2e9x s LYS 164 Cb -0.48 -2.42 -0.08 0.00 -0.52 0.00 0.00 37.83 34.33 2e9x s LYS 164 CO 0.54 -0.35 1.32 -2.30 -0.92 0.00 0.00 175.35 173.64 2e9x n PRO 165 N -2.27 1.90 -3.29 -1.68 -0.02 -1.26 -4.92 135.00 123.46 2e9x n PRO 165 Ca 0.02 0.68 -0.46 0.00 -2.02 0.00 0.00 63.50 61.72 2e9x n PRO 165 Cb 0.57 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 2e9x n PRO 165 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2e9x s ASP 166 N -0.65 6.47 0.30 2.55 -1.08 -1.26 -4.89 116.67 118.11 2e9x s ASP 166 Ca 0.64 -2.18 0.24 0.00 -0.52 0.00 0.00 52.55 50.74 2e9x s ASP 166 Cb -0.46 -2.23 1.09 0.00 -1.46 0.00 0.00 42.92 39.86 2e9x s ASP 166 CO 0.55 -0.76 1.73 -0.07 0.52 0.00 0.00 175.17 177.14 2e9x h LEU 167 N 8.54 0.00 -3.67 -1.34 3.38 -1.91 -3.10 115.31 117.21 2e9x h LEU 167 Ca -0.10 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.58 2e9x h LEU 167 Cb 1.07 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.70 2e9x h LEU 167 CO 0.92 0.00 0.27 0.47 0.09 0.00 0.00 178.44 180.19 2e9x n ASP 168 N -2.32 6.18 -4.59 -0.43 10.43 -1.26 -1.07 116.55 123.49 2e9x n ASP 168 Ca 0.01 -2.94 -0.34 0.00 2.57 0.00 0.00 54.79 54.09 2e9x n ASP 168 Cb 0.18 -1.14 -0.11 0.00 1.84 0.00 0.00 41.12 41.89 2e9x n ASP 168 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2e9x s SER 169 N 0.67 5.14 0.28 -2.24 0.01 -1.17 -4.89 113.70 111.50 2e9x s SER 169 Ca 0.35 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.33 2e9x s SER 169 Cb 0.24 -1.72 -0.10 0.00 0.21 0.00 0.00 66.02 64.66 2e9x s SER 169 CO -0.05 0.24 1.11 -0.31 0.41 0.00 0.00 173.24 174.65 2e9x s TYR 170 N -0.07 3.55 0.09 2.43 1.51 -1.26 -0.29 117.35 123.30 2e9x s TYR 170 Ca 0.04 1.68 -0.00 0.00 -1.01 0.00 0.00 57.07 57.77 2e9x s TYR 170 Cb -0.13 -3.31 -0.04 0.00 -0.11 0.00 0.00 41.96 38.37 2e9x s TYR 170 CO 0.02 -0.63 -0.02 0.14 -1.11 0.00 0.00 175.55 173.94 2e9x s VAL 171 N -1.14 0.36 0.16 0.71 -7.23 -0.59 -4.85 120.40 107.83 2e9x s VAL 171 Ca 0.45 -1.87 0.04 0.00 -1.81 0.00 0.00 61.98 58.78 2e9x s VAL 171 Cb -0.32 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2e9x s VAL 171 CO 0.42 -0.83 0.21 -0.36 -0.31 0.00 0.00 175.10 174.23 2e9x s PHE 172 N -3.84 3.32 0.12 2.82 0.40 -1.26 -2.02 117.98 117.52 2e9x s PHE 172 Ca 0.13 0.04 -0.23 0.00 -0.60 0.00 0.00 56.93 56.27 2e9x s PHE 172 Cb 0.07 -1.58 0.06 0.00 0.51 0.00 0.00 43.02 42.08 2e9x s PHE 172 CO -0.05 0.52 0.58 -0.48 0.70 0.00 0.00 175.22 176.48 2e9x s LEU 173 N -3.20 -0.43 -0.05 -0.37 0.05 -0.06 -1.90 118.68 112.71 2e9x s LEU 173 Ca 0.33 0.07 0.05 0.00 0.05 0.00 0.00 54.13 54.63 2e9x s LEU 173 Cb -0.10 2.46 -0.01 0.00 -2.05 0.00 0.00 46.19 46.49 2e9x s LEU 173 CO 0.26 -0.89 -0.21 0.00 -0.55 0.00 0.00 176.35 174.96 2e9x s ARG 174 N -3.30 2.24 -0.04 1.48 1.70 -0.49 -0.46 118.95 120.07 2e9x s ARG 174 Ca -0.01 -0.77 -0.24 0.00 -0.47 0.00 0.00 55.73 54.24 2e9x s ARG 174 Cb -0.01 -1.89 -0.04 0.00 -0.57 0.00 0.00 34.95 32.44 2e9x s ARG 174 CO -0.09 0.30 0.74 0.08 -1.08 0.00 0.00 175.30 175.25 2e9x s VAL 175 N -0.03 4.98 -0.30 4.99 1.01 0.08 -1.67 120.40 129.45 2e9x s VAL 175 Ca -0.05 1.53 0.08 0.00 0.00 0.00 0.00 61.98 63.54 2e9x s VAL 175 Cb -0.13 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 2e9x s VAL 175 CO 0.03 0.26 0.31 -2.11 0.00 0.00 0.00 175.10 173.60 2e9x n ARG 176 N 3.61 3.34 -3.65 2.72 1.85 -0.25 0.26 116.66 124.54 2e9x n ARG 176 Ca -0.01 -0.02 -0.21 0.00 -1.00 0.00 0.00 57.85 56.61 2e9x n ARG 176 Cb 0.51 -0.96 -0.17 0.00 -1.05 0.00 0.00 32.46 30.79 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 -1.97 -0.02 0.14 2.89 2.02 -0.79 -4.84 118.70 116.14 2e9x s GLU 177 Ca 0.02 0.28 -0.34 0.00 0.02 0.00 0.00 54.97 54.95 2e9x s GLU 177 Cb 0.06 -0.84 -0.16 0.00 0.10 0.00 0.00 34.13 33.28 2e9x s GLU 177 CO 0.34 -0.43 1.14 -2.13 0.02 0.00 0.00 175.26 174.21 2e9x n ARG 178 N 5.30 0.96 -4.34 1.61 0.63 -1.26 -4.82 116.66 114.74 2e9x n ARG 178 Ca -0.04 0.34 -0.19 0.00 -0.92 0.00 0.00 57.85 57.04 2e9x n ARG 178 Cb 0.50 -1.84 -0.13 0.00 0.45 0.00 0.00 32.46 31.44 2e9x n ARG 178 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2e9x s GLN 179 N -0.22 0.86 0.26 -0.14 -1.52 -0.50 -5.00 119.66 113.40 2e9x s GLN 179 Ca 0.77 -0.66 0.11 0.00 -1.95 0.00 0.00 55.36 53.62 2e9x s GLN 179 Cb -0.92 -0.84 -0.05 0.00 -0.22 0.00 0.00 33.01 30.98 2e9x s GLN 179 CO 0.52 0.21 -0.18 -1.21 -0.25 0.00 0.00 175.29 174.38 2e9x s GLU 180 N -0.96 1.56 -1.29 2.91 2.02 -1.26 -0.11 118.70 121.58 2e9x s GLU 180 Ca 0.01 -1.71 -0.02 0.00 0.02 0.00 0.00 54.97 53.27 2e9x s GLU 180 Cb -0.07 -1.55 -0.00 0.00 0.10 0.00 0.00 34.13 32.61 2e9x s GLU 180 CO 0.01 0.28 0.70 0.09 0.02 0.00 0.00 175.26 176.35 2e9x n ASN 181 N -0.54 -1.70 -4.70 -0.19 3.02 -1.08 -4.95 115.26 105.11 2e9x n ASN 181 Ca -0.06 -0.84 -0.39 0.00 -0.03 0.00 0.00 54.58 53.25 2e9x n ASN 181 Cb 0.60 -3.99 -0.05 0.00 -0.61 0.00 0.00 39.78 35.73 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 -3.66 5.06 -0.37 2.41 -1.09 0.19 -4.84 121.20 118.91 2e9x s ILE 182 Ca 0.06 1.29 -0.19 0.00 -2.23 0.00 0.00 60.65 59.58 2e9x s ILE 182 Cb -0.02 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2e9x s ILE 182 CO 0.82 0.22 0.58 -0.22 -1.23 0.00 0.00 174.94 175.11 2e9x s LEU 183 N 1.10 4.35 -0.14 2.97 2.96 -1.26 -0.38 118.68 128.28 2e9x s LEU 183 Ca 0.33 -0.02 -0.22 0.00 -0.22 0.00 0.00 54.13 54.00 2e9x s LEU 183 Cb -0.17 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 2e9x s LEU 183 CO 0.14 -0.58 0.66 -0.69 -1.32 0.00 0.00 176.35 174.56 2e9x s VAL 184 N 2.58 5.04 -0.46 1.68 1.01 0.02 -4.96 120.40 125.31 2e9x s VAL 184 Ca 0.21 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.53 2e9x s VAL 184 Cb -0.15 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.37 2e9x s VAL 184 CO 0.15 0.18 0.21 -1.61 0.00 0.00 0.00 175.10 174.03 2e9x s GLU 185 N 1.36 1.68 0.16 2.72 2.02 -1.26 -2.38 118.70 123.01 2e9x s GLU 185 Ca 0.33 -2.28 -0.23 0.00 0.02 0.00 0.00 54.97 52.81 2e9x s GLU 185 Cb -0.16 -3.03 0.06 0.00 0.10 0.00 0.00 34.13 31.09 2e9x s GLU 185 CO 0.13 -1.08 1.60 -1.00 0.02 0.00 0.00 175.26 174.93 2e9x h PRO 186 N 6.83 -0.24 0.00 0.39 0.13 -1.90 -3.46 132.00 133.75 2e9x h PRO 186 Ca -0.06 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2e9x h PRO 186 Cb 0.93 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2e9x h PRO 186 CO 0.61 -0.16 0.00 -0.40 -0.23 0.00 0.00 178.00 177.81 2e9x n ASP 187 N -5.42 0.00 -0.78 1.44 5.68 -1.26 -5.03 116.55 111.18 2e9x n ASP 187 Ca 0.01 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.41 2e9x n ASP 187 Cb 0.34 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.39 2e9x n ASP 187 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2e9x n THR 188 N 0.00 0.00 -2.68 2.12 -2.24 -1.26 -4.84 114.28 105.37 2e9x n THR 188 Ca 0.00 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 2e9x n THR 188 Cb 0.00 1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 2e9x n THR 188 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2e9x s ASP 189 N -1.89 6.22 0.53 3.42 2.15 -1.26 -4.91 116.67 120.92 2e9x s ASP 189 Ca 0.24 -0.54 0.28 0.00 0.43 0.00 0.00 52.55 52.96 2e9x s ASP 189 Cb 0.18 -2.50 1.43 0.00 -0.30 0.00 0.00 42.92 41.72 2e9x s ASP 189 CO 0.32 -1.60 1.93 -0.08 -0.17 0.00 0.00 175.17 175.56 2e9x h GLU 190 N 9.74 0.02 0.00 4.34 4.81 -2.00 -2.12 114.58 129.38 2e9x h GLU 190 Ca -0.28 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2e9x h GLU 190 Cb 1.06 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2e9x h GLU 190 CO 1.22 0.02 0.00 -0.56 -0.73 0.00 0.00 179.01 178.95 2e9x h GLN 191 N 0.03 0.00 -0.00 1.92 3.07 -2.00 -2.59 115.11 115.53 2e9x h GLN 191 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.10 2e9x h GLN 191 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.97 2e9x h GLN 191 CO -0.01 0.00 -0.10 0.54 0.09 0.00 0.00 178.83 179.34 2e9x n ARG 192 N -2.40 0.28 -1.81 0.06 1.74 -0.79 -4.88 116.66 108.85 2e9x n ARG 192 Ca 0.03 -0.06 -0.38 0.00 -0.77 0.00 0.00 57.85 56.67 2e9x n ARG 192 Cb 0.32 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.30 2e9x n ARG 192 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2e9x s ASP 193 N -2.76 5.29 0.07 0.55 1.11 -0.98 -4.68 116.67 115.27 2e9x s ASP 193 Ca 0.21 2.73 -0.22 0.00 0.18 0.00 0.00 52.55 55.45 2e9x s ASP 193 Cb 0.19 -2.63 0.05 0.00 1.07 0.00 0.00 42.92 41.60 2e9x s ASP 193 CO 0.52 -1.55 0.53 -0.72 1.18 0.00 0.00 175.17 175.13 2e9x s TYR 194 N -1.32 -0.43 -0.01 4.23 -0.85 -1.00 -5.01 117.35 112.95 2e9x s TYR 194 Ca 0.71 0.43 -0.00 0.00 -0.52 0.00 0.00 57.07 57.69 2e9x s TYR 194 Cb -0.40 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.28 2e9x s TYR 194 CO 0.47 -0.68 0.07 0.08 -1.52 0.00 0.00 175.55 173.97 2e9x s VAL 195 N -2.70 4.67 0.20 -3.49 1.01 -1.26 -0.80 120.40 118.02 2e9x s VAL 195 Ca -0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 2e9x s VAL 195 Cb -0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2e9x s VAL 195 CO -0.04 0.37 0.10 0.27 0.00 0.00 0.00 175.10 175.81 2e9x s ILE 196 N -1.17 0.17 0.11 2.22 -4.36 0.49 -4.91 121.20 113.76 2e9x s ILE 196 Ca 0.22 -1.98 0.10 0.00 -0.26 0.00 0.00 60.65 58.73 2e9x s ILE 196 Cb -0.12 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2e9x s ILE 196 CO 0.13 -0.11 -0.25 -1.81 0.24 0.00 0.00 174.94 173.14 2e9x s ASP 197 N -3.17 3.39 -0.32 4.36 1.01 -1.26 0.53 116.67 121.21 2e9x s ASP 197 Ca 0.35 -0.69 -0.05 0.00 0.71 0.00 0.00 52.55 52.87 2e9x s ASP 197 Cb 0.07 -0.29 0.04 0.00 1.01 0.00 0.00 42.92 43.75 2e9x s ASP 197 CO 0.10 0.19 0.07 -0.76 0.21 0.00 0.00 175.17 174.99 2e9x s LEU 198 N -1.93 4.10 0.29 1.23 1.43 0.84 -4.99 118.68 119.64 2e9x s LEU 198 Ca 0.14 -1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 51.88 2e9x s LEU 198 Cb -0.10 -1.83 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 2e9x s LEU 198 CO 0.06 -0.28 0.93 -1.61 0.23 0.00 0.00 176.35 175.68 2e9x s GLU 199 N 1.38 4.66 0.20 1.70 0.41 -1.26 -1.42 118.70 124.38 2e9x s GLU 199 Ca -0.02 1.36 -0.33 0.00 -0.41 0.00 0.00 54.97 55.58 2e9x s GLU 199 Cb -0.19 -2.97 -0.13 0.00 -1.78 0.00 0.00 34.13 29.05 2e9x s GLU 199 CO 0.02 0.37 1.54 1.17 -0.49 0.00 0.00 175.26 177.86 2e9x n LYS 200 N 0.90 2.20 -0.47 1.61 4.81 -1.26 -1.72 118.16 124.23 2e9x n LYS 200 Ca 0.00 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2e9x n LYS 200 Cb 0.49 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.01 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 2.97 1.13 3.93 3.14 0.00 0.14 -4.99 105.19 111.50 2e9x n GLY 201 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.08 5.26 -0.05 1.61 1.04 -0.70 -4.75 113.70 113.03 2e9x s SER 202 Ca 0.00 0.53 0.05 0.00 0.48 0.00 0.00 55.95 57.01 2e9x s SER 202 Cb 0.00 -1.38 -0.01 0.00 0.10 0.00 0.00 66.02 64.73 2e9x s SER 202 CO 0.00 -1.27 -0.20 -1.10 0.98 0.00 0.00 173.24 171.65 2e9x s GLN 203 N -5.05 2.00 0.18 4.02 -0.21 -1.26 -0.74 119.66 118.59 2e9x s GLN 203 Ca 0.56 -0.71 0.02 0.00 0.02 0.00 0.00 55.36 55.26 2e9x s GLN 203 Cb -0.11 -1.74 -0.05 0.00 1.00 0.00 0.00 33.01 32.12 2e9x s GLN 203 CO 0.44 0.30 0.01 -1.01 -2.12 0.00 0.00 175.29 172.91 2e9x s HIS 204 N -0.06 1.23 -0.11 0.91 3.76 0.39 -4.96 115.29 116.46 2e9x s HIS 204 Ca -0.03 -1.02 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 2e9x s HIS 204 Cb -0.12 -0.70 0.02 0.00 1.11 0.00 0.00 32.58 32.89 2e9x s HIS 204 CO 0.02 -0.21 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.43 2e9x s LEU 205 N -3.18 1.39 0.09 0.89 2.96 -1.26 -0.89 118.68 118.68 2e9x s LEU 205 Ca 0.25 -0.33 -0.26 0.00 -0.22 0.00 0.00 54.13 53.57 2e9x s LEU 205 Cb 0.06 -0.89 0.08 0.00 0.50 0.00 0.00 46.19 45.94 2e9x s LEU 205 CO 0.04 -0.07 0.83 -0.51 -1.32 0.00 0.00 176.35 175.33 2e9x s ILE 206 N 1.39 0.00 0.13 6.68 2.07 -0.86 -5.00 121.20 125.62 2e9x s ILE 206 Ca -0.00 -0.25 -0.31 0.00 -1.41 0.00 0.00 60.65 58.68 2e9x s ILE 206 Cb -0.13 -1.33 -0.09 0.00 0.13 0.00 0.00 42.46 41.03 2e9x s ILE 206 CO -0.05 0.00 1.55 -0.13 -1.91 0.00 0.00 174.94 174.39 2e9x s ARG 207 N -3.35 4.23 0.25 3.50 0.52 -1.26 -1.54 118.95 121.30 2e9x s ARG 207 Ca 0.06 2.29 -0.03 0.00 -0.52 0.00 0.00 55.73 57.53 2e9x s ARG 207 Cb -0.01 -3.27 0.51 0.00 0.52 0.00 0.00 34.95 32.69 2e9x s ARG 207 CO -0.06 -0.60 1.69 -0.92 0.02 0.00 0.00 175.30 175.43 2e9x h TYR 208 N 7.13 0.37 -0.94 -0.53 3.20 -0.78 -2.21 116.97 123.21 2e9x h TYR 208 Ca -0.42 0.04 0.20 0.00 3.14 0.00 0.00 58.73 61.69 2e9x h TYR 208 Cb 1.20 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 39.36 2e9x h TYR 208 CO 0.68 -0.06 0.61 -0.22 -1.64 0.00 0.00 178.16 177.53 2e9x h LYS 209 N 0.31 0.47 -0.27 1.82 3.64 -1.34 0.18 116.57 121.37 2e9x h LYS 209 Ca 0.44 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.71 2e9x h LYS 209 Cb 0.76 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2e9x h LYS 209 CO -0.50 0.31 -0.19 1.15 -2.27 0.00 0.00 179.45 177.95 2e9x h THR 210 N 0.49 1.25 -0.18 1.00 2.02 -1.70 -3.29 112.91 112.49 2e9x h THR 210 Ca 0.50 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2e9x h THR 210 Cb 1.13 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2e9x h THR 210 CO -0.22 0.37 0.00 2.30 0.37 0.00 0.00 175.52 178.33 2e9x n ILE 211 N -4.16 1.12 -0.23 3.11 -6.64 -0.51 -4.76 119.36 107.28 2e9x n ILE 211 Ca 0.00 -1.11 0.04 0.00 -1.77 0.00 0.00 62.75 59.91 2e9x n ILE 211 Cb 0.36 0.42 0.16 0.00 -1.44 0.00 0.00 39.64 39.14 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 1.09 0.88 -0.37 -1.28 0.00 -1.09 0.11 119.26 118.60 2e9x h ALA 212 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2e9x h ALA 212 Cb 0.69 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2e9x h ALA 212 CO 0.01 -0.32 0.25 -1.35 0.00 0.00 0.00 179.25 177.85 2e9x h PRO 213 N 0.28 0.25 0.00 0.00 0.11 -1.86 -0.23 132.00 130.56 2e9x h PRO 213 Ca 0.38 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.41 2e9x h PRO 213 Cb 0.63 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 2e9x h PRO 213 CO -0.47 0.17 -0.34 -0.07 -0.21 0.00 0.00 178.00 177.08 2e9x h LEU 214 N 0.26 0.00 -0.06 2.35 3.38 -1.14 -1.85 115.31 118.26 2e9x h LEU 214 Ca 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2e9x h LEU 214 Cb 0.32 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.08 2e9x h LEU 214 CO -0.03 0.34 -0.42 0.58 0.09 0.00 0.00 178.44 178.99 2e9x h VAL 215 N 0.00 1.42 -0.56 1.22 2.07 -0.61 -0.90 116.25 118.89 2e9x h VAL 215 Ca -0.00 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.63 2e9x h VAL 215 Cb 0.96 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 2e9x h VAL 215 CO 0.04 0.54 0.21 0.00 0.02 0.00 0.00 177.57 178.38 2e9x h ALA 216 N 0.40 1.31 0.00 1.67 0.00 -1.21 -2.68 119.26 118.75 2e9x h ALA 216 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2e9x h ALA 216 Cb 1.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2e9x h ALA 216 CO 0.09 0.51 -0.19 -1.13 0.00 0.00 0.00 179.25 178.52 2e9x n SER 217 N -4.32 0.66 0.00 0.00 3.41 -0.71 -4.92 113.62 107.74 2e9x n SER 217 Ca 0.05 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2e9x n SER 217 Cb 0.18 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 1.35 0.75 0.22 5.00 0.00 -0.98 -4.94 105.19 106.59 2e9x n GLY 218 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 1.22 -2.44 4.61 0.00 -1.44 -3.44 119.26 117.77 2e9x h ALA 219 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2e9x h ALA 219 Cb 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.58 2e9x h ALA 219 CO 0.00 0.34 -0.69 0.14 0.00 0.00 0.00 179.25 179.04 2e9x s VAL 220 N -4.01 0.23 -0.05 0.00 -7.23 -0.95 -1.09 120.40 107.30 2e9x s VAL 220 Ca -0.02 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 2e9x s VAL 220 Cb 0.13 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.87 2e9x s VAL 220 CO 0.66 -0.85 -0.14 -1.58 -0.31 0.00 0.00 175.10 172.88 2e9x s GLN 221 N -3.26 1.63 0.40 4.82 0.74 -0.67 -4.41 119.66 118.90 2e9x s GLN 221 Ca 0.01 -0.48 -0.24 0.00 0.05 0.00 0.00 55.36 54.70 2e9x s GLN 221 Cb 0.03 -1.39 -0.09 0.00 1.10 0.00 0.00 33.01 32.66 2e9x s GLN 221 CO -0.07 0.13 1.07 -0.51 -0.55 0.00 0.00 175.29 175.35 2e9x s LEU 222 N 0.34 4.16 0.00 3.68 1.43 -1.26 -1.40 118.68 125.63 2e9x s LEU 222 Ca -0.09 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 2e9x s LEU 222 Cb -0.13 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 41.94 2e9x s LEU 222 CO 0.03 -0.51 0.06 2.30 0.23 0.00 0.00 176.35 178.46