#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsm s GLU 31 N 0.00 4.63 -0.46 3.23 2.12 -1.26 -4.79 118.70 122.17 2gsm s GLU 31 Ca 0.00 1.63 -0.27 0.00 0.36 0.00 0.00 54.97 56.70 2gsm s GLU 31 Cb 0.00 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 31.11 2gsm s GLU 31 CO 0.00 0.13 1.01 0.42 -0.54 0.00 0.00 175.26 176.28 2gsm s ILE 32 N -0.19 4.37 -0.07 -3.70 1.01 -1.26 -0.41 121.20 120.95 2gsm s ILE 32 Ca 0.48 0.96 -0.04 0.00 0.00 0.00 0.00 60.65 62.05 2gsm s ILE 32 Cb -0.28 -4.50 -0.03 0.00 0.01 0.00 0.00 42.46 37.66 2gsm s ILE 32 CO 0.33 -0.89 -0.10 -0.38 0.00 0.00 0.00 174.94 173.90 2gsm n ILE 33 N 6.57 0.45 -2.66 2.92 5.41 -0.51 -4.88 119.36 126.67 2gsm n ILE 33 Ca 0.09 -0.09 -0.43 0.00 1.00 0.00 0.00 62.75 63.31 2gsm n ILE 33 Cb 0.49 -1.61 -0.01 0.00 -0.71 0.00 0.00 39.64 37.80 2gsm n ILE 33 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2gsm s GLY 34 N -5.11 1.70 0.09 7.39 0.00 -0.66 -4.50 107.32 106.22 2gsm s GLY 34 Ca -0.11 -2.83 -0.23 0.00 0.00 0.00 0.00 44.72 41.55 2gsm s GLY 34 CO 0.13 2.56 0.57 1.09 0.00 0.00 0.00 173.10 177.46 2gsm s ARG 35 N 3.86 1.15 0.52 2.90 3.03 -1.26 -0.62 118.95 128.54 2gsm s ARG 35 Ca 0.49 -0.32 -0.21 0.00 2.03 0.00 0.00 55.73 57.73 2gsm s ARG 35 Cb 0.01 0.53 -0.06 0.00 -1.03 0.00 0.00 34.95 34.40 2gsm s ARG 35 CO 0.02 -0.46 1.17 -1.25 -1.13 0.00 0.00 175.30 173.65 2gsm s PRO 36 N -2.99 3.41 0.09 3.89 0.04 -1.26 -4.77 135.00 133.41 2gsm s PRO 36 Ca -0.02 1.75 0.08 0.00 0.04 0.00 0.00 61.00 62.84 2gsm s PRO 36 Cb -0.00 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2gsm s PRO 36 CO -0.06 -0.83 -0.18 -0.65 0.04 0.00 0.00 177.00 175.32 2gsm s GLN 37 N -3.06 1.90 0.14 4.56 -0.21 -1.26 -5.09 119.66 116.63 2gsm s GLN 37 Ca 0.70 -1.10 -0.34 0.00 0.02 0.00 0.00 55.36 54.64 2gsm s GLN 37 Cb -0.28 -2.14 -0.14 0.00 1.00 0.00 0.00 33.01 31.45 2gsm s GLN 37 CO 0.32 0.50 1.59 -2.30 -2.12 0.00 0.00 175.29 173.28 2gsm n PRO 38 N 1.09 2.11 -1.10 2.91 -0.02 -1.26 -1.67 135.00 137.06 2gsm n PRO 38 Ca -0.16 0.76 -0.03 0.00 -2.02 0.00 0.00 63.50 62.05 2gsm n PRO 38 Cb 0.52 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 2gsm n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gsm n GLY 39 N 3.45 0.56 3.76 -1.23 0.00 -1.26 -4.98 105.19 105.49 2gsm n GLY 39 Ca 0.17 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2gsm n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gsm s GLY 40 N -2.29 2.86 0.00 -0.02 0.00 -0.67 -4.93 107.32 102.26 2gsm s GLY 40 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 44.72 45.92 2gsm s GLY 40 CO 0.00 1.71 0.15 -1.30 0.00 0.00 0.00 173.10 173.66 2gsm n THR 41 N -0.64 0.00 -3.74 0.90 -2.24 -1.26 -5.03 114.28 102.26 2gsm n THR 41 Ca 0.08 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.29 2gsm n THR 41 Cb 0.46 1.13 0.01 0.00 -2.10 0.00 0.00 70.33 69.82 2gsm n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gsm n GLY 42 N 0.40 2.70 3.70 3.38 0.00 -1.26 -5.12 105.19 108.99 2gsm n GLY 42 Ca 0.00 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.43 2gsm n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gsm s PHE 43 N -2.32 1.90 0.70 1.61 0.08 -1.26 -5.02 117.98 113.67 2gsm s PHE 43 Ca 0.30 1.71 -0.15 0.00 0.12 0.00 0.00 56.93 58.91 2gsm s PHE 43 Cb -0.02 -3.30 0.03 0.00 -0.57 0.00 0.00 43.02 39.15 2gsm s PHE 43 CO 0.19 -2.55 1.15 -0.65 -0.10 0.00 0.00 175.22 173.26 2gsm s GLN 44 N -4.58 2.43 0.30 0.44 -0.21 -1.26 -4.94 119.66 111.84 2gsm s GLN 44 Ca 0.67 1.53 -0.28 0.00 0.02 0.00 0.00 55.36 57.30 2gsm s GLN 44 Cb -0.23 -1.89 -0.14 0.00 1.00 0.00 0.00 33.01 31.76 2gsm s GLN 44 CO 0.55 -1.57 1.08 -2.30 -2.12 0.00 0.00 175.29 170.94 2gsm n PRO 45 N -2.67 1.55 -2.69 2.91 -0.02 -1.26 -4.85 135.00 127.96 2gsm n PRO 45 Ca 0.12 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 2gsm n PRO 45 Cb 0.51 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 2gsm n PRO 45 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2gsm s SER 46 N -0.49 7.48 -0.04 2.55 0.15 -1.26 -4.36 113.70 117.73 2gsm s SER 46 Ca 0.58 1.87 0.05 0.00 0.70 0.00 0.00 55.95 59.16 2gsm s SER 46 Cb -0.67 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.13 2gsm s SER 46 CO 0.60 -0.06 0.94 0.00 1.20 0.00 0.00 173.24 175.92 2gsm n ALA 47 N 2.50 1.86 -2.22 5.45 0.00 -0.52 -5.00 120.51 122.59 2gsm n ALA 47 Ca 0.02 -1.37 -0.07 0.00 0.00 0.00 0.00 53.44 52.02 2gsm n ALA 47 Cb 0.48 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 2gsm n ALA 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gsm s SER 48 N -1.33 0.40 0.33 0.00 1.04 -1.23 -0.46 113.70 112.45 2gsm s SER 48 Ca 0.09 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 55.67 2gsm s SER 48 Cb 0.08 0.23 0.58 0.00 0.10 0.00 0.00 66.02 67.01 2gsm s SER 48 CO 0.01 -0.62 1.82 1.55 0.98 0.00 0.00 173.24 176.98 2gsm h PRO 49 N 3.11 0.41 -0.40 4.02 0.13 -1.92 -1.77 132.00 135.58 2gsm h PRO 49 Ca -0.34 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2gsm h PRO 49 Cb 1.15 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2gsm h PRO 49 CO 0.63 0.56 0.17 0.28 -0.23 0.00 0.00 178.00 179.41 2gsm h VAL 50 N 0.38 1.18 -0.60 1.56 2.07 -1.91 -1.47 116.25 117.45 2gsm h VAL 50 Ca 0.07 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 2gsm h VAL 50 Cb 0.49 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2gsm h VAL 50 CO 0.03 0.20 0.13 0.00 0.02 0.00 0.00 177.57 177.95 2gsm h ALA 51 N 1.02 1.10 -0.66 1.67 0.00 -1.59 -1.78 119.26 119.02 2gsm h ALA 51 Ca 0.13 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2gsm h ALA 51 Cb 0.16 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2gsm h ALA 51 CO -0.01 0.60 0.38 1.15 0.00 0.00 0.00 179.25 181.36 2gsm h THR 52 N 0.90 1.00 -0.60 0.00 2.02 -1.16 -1.34 112.91 113.72 2gsm h THR 52 Ca 0.19 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2gsm h THR 52 Cb 0.35 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 2gsm h THR 52 CO 0.00 0.13 0.31 1.56 0.37 0.00 0.00 175.52 177.90 2gsm h GLN 53 N 0.71 0.85 -0.14 6.66 4.20 -0.66 -2.07 115.11 124.67 2gsm h GLN 53 Ca 0.29 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.92 2gsm h GLN 53 Cb 0.14 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2gsm h GLN 53 CO -0.16 0.67 -0.04 0.82 -0.67 0.00 0.00 178.83 179.44 2gsm h ILE 54 N 0.82 0.84 -0.74 2.54 5.03 -0.86 -0.44 117.51 124.70 2gsm h ILE 54 Ca 0.21 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 65.01 2gsm h ILE 54 Cb 0.08 0.84 -0.06 0.00 -3.03 0.00 0.00 36.82 34.65 2gsm h ILE 54 CO -0.03 0.00 0.43 0.45 -0.68 0.00 0.00 178.15 178.32 2gsm h HIS 55 N -0.02 0.79 -0.02 1.37 3.86 -0.99 0.28 115.15 120.43 2gsm h HIS 55 Ca 0.07 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2gsm h HIS 55 Cb 0.12 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 2gsm h HIS 55 CO -0.19 0.38 0.00 -1.49 0.86 0.00 0.00 177.93 177.50 2gsm h TRP 56 N 0.79 0.04 -0.07 2.45 4.06 -1.12 -0.19 115.95 121.90 2gsm h TRP 56 Ca 0.33 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.27 2gsm h TRP 56 Cb 0.19 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.34 2gsm h TRP 56 CO -0.06 0.29 0.02 1.25 -3.56 0.00 0.00 178.44 176.38 2gsm h LEU 57 N -0.23 0.11 -0.98 -4.49 5.85 -0.84 0.92 115.31 115.65 2gsm h LEU 57 Ca 0.01 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2gsm h LEU 57 Cb 0.27 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 2gsm h LEU 57 CO 0.00 0.29 0.65 -0.78 -0.34 0.00 0.00 178.44 178.26 2gsm h ASP 58 N -0.08 1.11 -0.49 1.25 3.58 -1.02 -0.35 116.42 120.42 2gsm h ASP 58 Ca 0.02 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2gsm h ASP 58 Cb 0.22 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 2gsm h ASP 58 CO -0.00 0.79 0.32 1.23 -2.88 0.00 0.00 179.24 178.70 2gsm h GLY 59 N 1.31 0.69 0.93 -0.78 0.00 -0.62 0.14 103.07 104.74 2gsm h GLY 59 Ca 0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 2gsm h GLY 59 CO -0.09 0.24 -0.04 -2.75 0.00 0.00 0.00 176.54 173.90 2gsm h PHE 60 N 0.65 -0.09 -0.61 5.60 3.04 -0.42 -2.36 116.94 122.74 2gsm h PHE 60 Ca 0.18 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.08 2gsm h PHE 60 Cb -0.06 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 2gsm h PHE 60 CO -0.05 0.00 0.16 0.82 -2.02 0.00 0.00 178.31 177.22 2gsm h ILE 61 N -0.17 1.24 -0.35 1.41 2.04 -0.99 -2.70 117.51 117.99 2gsm h ILE 61 Ca -0.01 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2gsm h ILE 61 Cb 0.14 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2gsm h ILE 61 CO 0.02 0.33 0.22 0.25 0.00 0.00 0.00 178.15 178.97 2gsm h LEU 62 N 0.91 0.41 -0.48 1.44 5.85 -0.59 0.13 115.31 122.97 2gsm h LEU 62 Ca 0.20 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.97 2gsm h LEU 62 Cb 0.31 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 2gsm h LEU 62 CO -0.00 0.31 0.10 0.58 -0.34 0.00 0.00 178.44 179.09 2gsm h VAL 63 N 0.46 0.74 0.14 1.05 2.07 -1.30 0.22 116.25 119.64 2gsm h VAL 63 Ca 0.13 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2gsm h VAL 63 Cb -0.03 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2gsm h VAL 63 CO -0.03 0.04 -0.09 0.40 0.02 0.00 0.00 177.57 177.92 2gsm h ILE 64 N 0.23 0.81 0.00 4.57 1.08 -1.05 -1.78 117.51 121.38 2gsm h ILE 64 Ca 0.24 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.60 2gsm h ILE 64 Cb 0.31 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 2gsm h ILE 64 CO -0.31 0.00 -0.54 0.16 -0.69 0.00 0.00 178.15 176.77 2gsm h ILE 65 N -0.22 1.19 -0.47 -0.67 3.07 -0.48 -0.37 117.51 119.55 2gsm h ILE 65 Ca -0.01 -1.98 -0.07 0.00 1.55 0.00 0.00 64.86 64.35 2gsm h ILE 65 Cb 0.19 2.13 -0.02 0.00 -0.27 0.00 0.00 36.82 38.85 2gsm h ILE 65 CO 0.01 0.53 0.03 0.00 -1.05 0.00 0.00 178.15 177.67 2gsm h ALA 66 N 1.46 1.16 0.01 0.16 0.00 -0.46 -1.89 119.26 119.69 2gsm h ALA 66 Ca -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2gsm h ALA 66 Cb 1.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2gsm h ALA 66 CO 0.07 0.55 -0.00 0.00 0.00 0.00 0.00 179.25 179.86 2gsm h ALA 67 N 1.31 -0.01 -0.41 0.00 0.00 -0.59 -0.88 119.26 118.68 2gsm h ALA 67 Ca 0.15 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2gsm h ALA 67 Cb 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 2gsm h ALA 67 CO 0.01 -0.31 -0.15 0.82 0.00 0.00 0.00 179.25 179.63 2gsm h ILE 68 N -0.41 0.51 -0.07 0.00 1.08 -1.06 -0.40 117.51 117.16 2gsm h ILE 68 Ca -0.00 0.00 -0.23 0.00 -0.39 0.00 0.00 64.86 64.24 2gsm h ILE 68 Cb 0.40 0.51 0.01 0.00 -3.07 0.00 0.00 36.82 34.67 2gsm h ILE 68 CO 0.00 0.00 -0.87 0.71 -0.69 0.00 0.00 178.15 177.30 2gsm h THR 69 N -0.06 1.31 -0.38 -0.27 1.35 -1.34 -0.30 112.91 113.22 2gsm h THR 69 Ca 0.20 -2.15 0.03 0.00 -0.55 0.00 0.00 66.41 63.94 2gsm h THR 69 Cb 0.36 2.18 -0.03 0.00 -1.73 0.00 0.00 68.15 68.93 2gsm h THR 69 CO -0.45 0.66 0.17 0.40 -0.25 0.00 0.00 175.52 176.06 2gsm h ILE 70 N 0.41 0.95 0.25 6.82 1.08 -1.06 0.45 117.51 126.42 2gsm h ILE 70 Ca -0.08 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2gsm h ILE 70 Cb 1.50 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.78 2gsm h ILE 70 CO 0.17 0.07 -0.38 0.15 -0.69 0.00 0.00 178.15 177.47 2gsm h PHE 71 N 0.36 -1.03 -0.48 1.37 -0.00 -0.89 0.94 116.94 117.21 2gsm h PHE 71 Ca 0.16 0.02 0.06 0.00 -0.00 0.00 0.00 57.97 58.21 2gsm h PHE 71 Cb 0.09 0.42 -0.05 0.00 -0.00 0.00 0.00 35.95 36.41 2gsm h PHE 71 CO -0.11 -0.50 0.20 0.28 -0.00 0.00 0.00 178.31 178.17 2gsm h VAL 72 N -0.69 0.88 -0.35 1.41 2.07 -0.90 -1.23 116.25 117.45 2gsm h VAL 72 Ca -0.00 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2gsm h VAL 72 Cb 0.67 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2gsm h VAL 72 CO -0.14 0.07 0.12 0.74 0.02 0.00 0.00 177.57 178.38 2gsm h THR 73 N 0.39 1.20 -0.78 2.57 2.02 -0.61 -2.06 112.91 115.64 2gsm h THR 73 Ca 0.22 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 2gsm h THR 73 Cb 0.19 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 2gsm h THR 73 CO -0.20 0.22 0.38 -0.07 0.37 0.00 0.00 175.52 176.22 2gsm h LEU 74 N 0.41 1.01 -0.77 2.58 3.38 -0.59 -1.60 115.31 119.72 2gsm h LEU 74 Ca 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2gsm h LEU 74 Cb 0.23 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2gsm h LEU 74 CO -0.01 0.85 0.45 -0.07 0.09 0.00 0.00 178.44 179.75 2gsm h LEU 75 N 1.11 0.95 0.04 1.67 3.38 -0.98 -0.28 115.31 121.19 2gsm h LEU 75 Ca 0.27 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2gsm h LEU 75 Cb 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2gsm h LEU 75 CO -0.04 0.75 -0.02 0.40 0.09 0.00 0.00 178.44 179.63 2gsm h ILE 76 N 1.06 1.03 -0.49 1.22 1.08 -0.91 -0.60 117.51 119.90 2gsm h ILE 76 Ca 0.27 -0.21 -0.13 0.00 -0.39 0.00 0.00 64.86 64.41 2gsm h ILE 76 Cb -0.00 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 2gsm h ILE 76 CO -0.05 0.05 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.20 2gsm h LEU 77 N -0.15 1.01 -0.27 1.44 3.38 -1.16 -1.13 115.31 118.44 2gsm h LEU 77 Ca -0.01 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2gsm h LEU 77 Cb 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2gsm h LEU 77 CO 0.01 1.16 0.13 0.22 0.09 0.00 0.00 178.44 180.05 2gsm h TYR 78 N 0.86 0.39 -0.46 1.13 5.03 -1.05 -0.92 116.97 121.95 2gsm h TYR 78 Ca 0.12 -0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.37 2gsm h TYR 78 Cb 0.77 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 2gsm h TYR 78 CO 0.05 0.36 0.12 0.00 -1.32 0.00 0.00 178.16 177.37 2gsm h ALA 79 N 0.98 1.35 -0.35 1.82 0.00 -0.86 0.34 119.26 122.54 2gsm h ALA 79 Ca 0.09 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2gsm h ALA 79 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2gsm h ALA 79 CO -0.01 0.47 -0.36 0.28 0.00 0.00 0.00 179.25 179.63 2gsm h VAL 80 N 0.67 1.28 -0.12 0.00 2.07 -1.09 0.06 116.25 119.12 2gsm h VAL 80 Ca 0.15 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 2gsm h VAL 80 Cb 0.24 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2gsm h VAL 80 CO -0.00 0.50 -0.16 -0.25 0.02 0.00 0.00 177.57 177.68 2gsm h TRP 81 N 0.67 0.38 0.02 1.57 7.01 -0.64 -2.69 115.95 122.27 2gsm h TRP 81 Ca 0.06 -0.12 -0.24 0.00 2.11 0.00 0.00 58.89 60.70 2gsm h TRP 81 Cb 0.92 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 27.91 2gsm h TRP 81 CO 0.05 0.75 -1.00 -0.09 -2.79 0.00 0.00 178.44 175.37 2gsm h ARG 82 N -0.10 0.45 -0.30 2.65 9.65 -0.34 -3.32 114.38 123.07 2gsm h ARG 82 Ca 0.01 -0.51 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2gsm h ARG 82 Cb 0.71 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.44 2gsm h ARG 82 CO 0.04 1.16 0.00 1.19 2.80 0.00 0.00 179.97 185.16 2gsm n PHE 83 N -3.75 0.70 -1.58 2.20 3.72 0.00 -4.41 117.46 114.34 2gsm n PHE 83 Ca -0.08 -0.68 -0.41 0.00 -0.05 0.00 0.00 57.45 56.23 2gsm n PHE 83 Cb 0.86 -0.17 0.01 0.00 -0.94 0.00 0.00 39.48 39.25 2gsm n PHE 83 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2gsm n HIS 84 N 0.01 0.81 0.18 1.38 -0.00 -1.01 -4.55 115.22 112.04 2gsm n HIS 84 Ca 0.16 0.55 0.17 0.00 -0.00 0.00 0.00 57.72 58.61 2gsm n HIS 84 Cb 0.65 -2.17 0.79 0.00 -0.00 0.00 0.00 29.99 29.26 2gsm n HIS 84 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 2gsm h GLU 85 N 1.29 0.00 0.00 1.57 4.11 -1.89 0.16 114.58 119.81 2gsm h GLU 85 Ca -0.44 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.85 2gsm h GLU 85 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2gsm h GLU 85 CO 0.55 0.00 -0.68 0.87 0.07 0.00 0.00 179.01 179.82 2gsm h LYS 86 N 0.00 0.00 0.00 1.06 1.79 -1.98 -3.35 116.57 114.08 2gsm h LYS 86 Ca 0.10 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.28 2gsm h LYS 86 Cb 0.54 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.13 2gsm h LYS 86 CO -0.00 0.68 -2.20 -2.13 -1.08 0.00 0.00 179.45 174.71 2gsm n ARG 87 N -3.68 0.68 -3.78 3.15 0.63 -0.24 -4.72 116.66 108.69 2gsm n ARG 87 Ca -0.01 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 2gsm n ARG 87 Cb 0.68 -1.56 -0.14 0.00 0.45 0.00 0.00 32.46 31.89 2gsm n ARG 87 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2gsm s ASN 88 N -5.41 3.92 0.19 6.15 3.84 -0.12 -4.98 114.94 118.53 2gsm s ASN 88 Ca -0.09 -2.42 0.08 0.00 0.21 0.00 0.00 52.86 50.64 2gsm s ASN 88 Cb 0.08 -1.13 0.05 0.00 -0.55 0.00 0.00 41.25 39.69 2gsm s ASN 88 CO 0.84 -0.30 1.43 0.11 -2.79 0.00 0.00 177.10 176.38 2gsm h LYS 89 N 7.07 0.03 -4.94 0.43 1.57 -1.84 -3.41 116.57 115.49 2gsm h LYS 89 Ca -0.05 -0.04 -0.67 0.00 -1.87 0.00 0.00 60.65 58.03 2gsm h LYS 89 Cb 0.95 0.01 -0.31 0.00 0.08 0.00 0.00 32.23 32.96 2gsm h LYS 89 CO 0.51 0.84 -0.75 0.08 -0.57 0.00 0.00 179.45 179.56 2gsm s VAL 90 N -3.15 2.93 0.40 0.50 1.01 -1.26 -5.08 120.40 115.75 2gsm s VAL 90 Ca -0.01 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 2gsm s VAL 90 Cb 0.11 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 2gsm s VAL 90 CO 0.80 0.27 1.10 -2.16 0.00 0.00 0.00 175.10 175.11 2gsm s PRO 91 N 1.36 4.09 1.11 2.72 0.04 -1.26 -5.06 135.00 138.00 2gsm s PRO 91 Ca 0.02 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.55 2gsm s PRO 91 Cb -0.16 -2.58 0.24 0.00 0.04 0.00 0.00 34.50 32.04 2gsm s PRO 91 CO -0.05 -0.24 1.10 0.00 0.04 0.00 0.00 177.00 177.85 2gsm s ALA 92 N -1.55 0.70 0.00 8.56 0.00 -1.26 -5.03 121.76 123.18 2gsm s ALA 92 Ca 0.58 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2gsm s ALA 92 Cb -0.26 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2gsm s ALA 92 CO 0.32 -3.27 0.39 0.54 0.00 0.00 0.00 175.76 173.74 2gsm n ARG 93 N -4.51 0.27 -1.72 0.00 1.74 -1.26 -5.09 116.66 106.09 2gsm n ARG 93 Ca 0.09 -0.47 -0.37 0.00 -0.77 0.00 0.00 57.85 56.33 2gsm n ARG 93 Cb 0.58 -0.67 0.06 0.00 -1.02 0.00 0.00 32.46 31.42 2gsm n ARG 93 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2gsm n PHE 94 N -0.08 1.90 -0.82 -1.55 1.16 -1.26 -4.94 117.46 111.88 2gsm n PHE 94 Ca 0.00 0.42 0.00 0.00 -1.87 0.00 0.00 57.45 56.00 2gsm n PHE 94 Cb 0.28 -2.27 0.00 0.00 -1.61 0.00 0.00 39.48 35.88 2gsm n PHE 94 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2gsm n THR 95 N -1.75 0.16 -3.90 1.97 -2.24 -1.26 -5.10 114.28 102.17 2gsm n THR 95 Ca 0.15 -0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 2gsm n THR 95 Cb 0.47 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 2gsm n THR 95 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2gsm s HIS 96 N -0.16 0.11 -0.43 4.78 3.76 -1.26 -5.10 115.29 116.98 2gsm s HIS 96 Ca 0.00 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 2gsm s HIS 96 Cb 0.00 -0.09 0.20 0.00 1.11 0.00 0.00 32.58 33.79 2gsm s HIS 96 CO 0.00 -0.30 0.87 1.21 -0.85 0.00 0.00 174.74 175.67 2gsm s ASN 97 N -1.61 -0.99 0.17 1.40 3.84 -1.26 -5.10 114.94 111.39 2gsm s ASN 97 Ca -0.12 -1.04 -0.19 0.00 0.21 0.00 0.00 52.86 51.71 2gsm s ASN 97 Cb -0.06 1.29 0.09 0.00 -0.55 0.00 0.00 41.25 42.01 2gsm s ASN 97 CO -0.00 -0.05 1.64 0.28 -2.79 0.00 0.00 177.10 176.18 2gsm h SER 98 N 5.00 -0.63 -0.21 -4.21 0.02 -1.99 -0.13 113.55 111.40 2gsm h SER 98 Ca 0.03 0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 2gsm h SER 98 Cb 1.15 0.34 -0.07 0.00 0.14 0.00 0.00 62.40 63.96 2gsm h SER 98 CO -0.03 -0.22 -0.31 -0.65 -1.14 0.00 0.00 176.83 174.49 2gsm h PRO 99 N -0.12 -0.32 -0.72 3.45 0.11 -1.99 -0.24 132.00 132.16 2gsm h PRO 99 Ca 0.19 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 2gsm h PRO 99 Cb 0.41 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.56 2gsm h PRO 99 CO -0.45 -0.22 0.45 1.25 -0.21 0.00 0.00 178.00 178.82 2gsm h LEU 100 N -0.34 0.86 -1.23 2.35 5.85 -1.84 -0.37 115.31 120.59 2gsm h LEU 100 Ca 0.12 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2gsm h LEU 100 Cb 0.53 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2gsm h LEU 100 CO -0.40 0.66 0.19 -0.33 -0.34 0.00 0.00 178.44 178.22 2gsm h GLU 101 N 0.99 0.73 -0.14 1.25 5.08 -0.69 0.13 114.58 121.92 2gsm h GLU 101 Ca 0.26 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2gsm h GLU 101 Cb -0.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2gsm h GLU 101 CO -0.05 0.61 -0.25 0.82 -1.00 0.00 0.00 179.01 179.14 2gsm h ILE 102 N 0.72 1.37 -0.53 3.13 1.08 -0.63 -3.03 117.51 119.60 2gsm h ILE 102 Ca 0.17 -1.50 0.02 0.00 -0.39 0.00 0.00 64.86 63.16 2gsm h ILE 102 Cb 0.16 2.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 2gsm h ILE 102 CO -0.02 0.44 0.33 0.00 -0.69 0.00 0.00 178.15 178.21 2gsm h ALA 103 N 0.55 0.68 0.00 1.87 0.00 -0.58 -1.52 119.26 120.26 2gsm h ALA 103 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gsm h ALA 103 Cb 0.83 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2gsm h ALA 103 CO 0.06 0.05 0.00 -2.67 0.00 0.00 0.00 179.25 176.68 2gsm n TRP 104 N -4.77 0.00 -0.13 0.00 2.14 0.41 -1.52 117.44 113.58 2gsm n TRP 104 Ca 0.04 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.40 2gsm n TRP 104 Cb 0.07 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.46 2gsm n TRP 104 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 2gsm n THR 105 N -0.88 1.46 0.01 -1.67 -1.04 -0.89 -4.56 114.28 106.71 2gsm n THR 105 Ca 0.18 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.05 61.50 2gsm n THR 105 Cb 0.08 -1.54 -0.09 0.00 -1.82 0.00 0.00 70.33 66.96 2gsm n THR 105 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2gsm h ILE 106 N -0.30 1.30 0.14 12.58 1.08 -1.12 -2.89 117.51 128.30 2gsm h ILE 106 Ca -0.60 -2.10 -0.01 0.00 -0.39 0.00 0.00 64.86 61.76 2gsm h ILE 106 Cb 1.79 2.25 0.00 0.00 -3.07 0.00 0.00 36.82 37.79 2gsm h ILE 106 CO -0.19 0.65 -0.07 0.58 -0.69 0.00 0.00 178.15 178.44 2gsm h VAL 107 N 0.38 0.93 -0.74 1.67 2.07 -1.52 -0.13 116.25 118.91 2gsm h VAL 107 Ca -0.09 -0.24 0.14 0.00 0.82 0.00 0.00 66.70 67.33 2gsm h VAL 107 Cb 1.52 1.08 -0.09 0.00 -1.52 0.00 0.00 31.29 32.27 2gsm h VAL 107 CO 0.17 0.06 0.28 -0.65 0.02 0.00 0.00 177.57 177.45 2gsm h PRO 108 N -0.29 0.41 -0.76 1.57 0.11 -1.80 0.74 132.00 131.97 2gsm h PRO 108 Ca -0.02 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.12 2gsm h PRO 108 Cb 0.24 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.20 2gsm h PRO 108 CO 0.03 0.27 0.45 0.82 -0.21 0.00 0.00 178.00 179.36 2gsm h ILE 109 N 0.42 1.01 -0.21 4.15 2.04 -1.18 -1.94 117.51 121.80 2gsm h ILE 109 Ca 0.40 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.89 2gsm h ILE 109 Cb 0.61 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2gsm h ILE 109 CO -0.40 0.15 -0.23 0.58 0.00 0.00 0.00 178.15 178.25 2gsm h VAL 110 N 0.83 1.33 -0.70 1.67 2.07 -0.25 -1.70 116.25 119.50 2gsm h VAL 110 Ca 0.33 -1.40 0.12 0.00 0.82 0.00 0.00 66.70 66.57 2gsm h VAL 110 Cb 0.17 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 2gsm h VAL 110 CO -0.17 0.43 0.28 0.40 0.02 0.00 0.00 177.57 178.53 2gsm h ILE 111 N 0.20 0.73 -0.18 4.57 2.04 -0.67 -0.82 117.51 123.38 2gsm h ILE 111 Ca 0.03 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 2gsm h ILE 111 Cb 0.78 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2gsm h ILE 111 CO 0.06 0.08 -0.34 -0.07 0.00 0.00 0.00 178.15 177.88 2gsm h LEU 112 N 0.46 0.62 -0.96 1.44 3.38 -1.24 -2.02 115.31 116.98 2gsm h LEU 112 Ca 0.37 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2gsm h LEU 112 Cb 0.49 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2gsm h LEU 112 CO -0.35 1.05 0.63 0.58 0.09 0.00 0.00 178.44 180.44 2gsm h VAL 113 N 0.22 1.19 0.27 1.22 2.07 -1.11 0.11 116.25 120.21 2gsm h VAL 113 Ca 0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2gsm h VAL 113 Cb 0.94 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2gsm h VAL 113 CO 0.08 0.23 -0.28 0.00 0.02 0.00 0.00 177.57 177.62 2gsm h ALA 114 N 1.38 -0.57 -0.42 1.67 0.00 -0.98 -1.13 119.26 119.21 2gsm h ALA 114 Ca 0.37 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2gsm h ALA 114 Cb -0.04 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2gsm h ALA 114 CO -0.11 -0.85 0.02 0.82 0.00 0.00 0.00 179.25 179.13 2gsm h ILE 115 N -0.58 0.71 -0.83 0.00 2.04 -1.03 -1.88 117.51 115.94 2gsm h ILE 115 Ca -0.01 -0.05 0.18 0.00 1.00 0.00 0.00 64.86 65.99 2gsm h ILE 115 Cb 0.54 0.56 -0.11 0.00 -0.74 0.00 0.00 36.82 37.06 2gsm h ILE 115 CO -0.06 0.02 0.33 1.23 0.00 0.00 0.00 178.15 179.67 2gsm h GLY 116 N 0.14 1.33 1.79 5.37 0.00 -0.52 0.44 103.07 111.62 2gsm h GLY 116 Ca 0.21 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 2gsm h GLY 116 CO -0.32 -0.19 -0.21 0.00 0.00 0.00 0.00 176.54 175.81 2gsm h ALA 117 N 1.64 1.37 0.00 3.60 0.00 -0.37 -0.29 119.26 125.22 2gsm h ALA 117 Ca 0.49 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 2gsm h ALA 117 Cb 0.85 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2gsm h ALA 117 CO -0.48 0.43 -1.55 0.74 0.00 0.00 0.00 179.25 178.39 2gsm h PHE 118 N 0.23 0.00 0.21 0.00 -1.00 -1.28 -3.41 116.94 111.70 2gsm h PHE 118 Ca 0.04 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.50 2gsm h PHE 118 Cb 0.51 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.09 2gsm h PHE 118 CO 0.01 0.91 -1.47 1.03 -1.61 0.00 0.00 178.31 177.17 2gsm h SER 119 N 0.00 0.68 -0.53 2.17 0.87 -0.41 -3.29 113.55 113.05 2gsm h SER 119 Ca -0.23 -0.78 -0.05 0.00 -1.23 0.00 0.00 61.79 59.51 2gsm h SER 119 Cb 1.89 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.61 2gsm h SER 119 CO 0.08 1.62 0.15 -0.07 -0.53 0.00 0.00 176.83 178.08 2gsm h LEU 120 N 0.12 0.79 -0.17 2.23 3.38 -1.30 -1.25 115.31 119.12 2gsm h LEU 120 Ca -0.24 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.55 2gsm h LEU 120 Cb 2.11 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.60 2gsm h LEU 120 CO 0.24 0.80 -0.11 -0.65 0.09 0.00 0.00 178.44 178.81 2gsm h PRO 121 N 0.74 -0.10 -0.71 1.13 0.11 -1.79 0.00 132.00 131.39 2gsm h PRO 121 Ca 0.17 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.41 2gsm h PRO 121 Cb 0.31 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.35 2gsm h PRO 121 CO -0.00 -0.07 0.28 0.28 -0.21 0.00 0.00 178.00 178.28 2gsm h VAL 122 N -0.11 0.70 -0.32 3.15 2.07 -1.58 0.25 116.25 120.42 2gsm h VAL 122 Ca 0.10 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2gsm h VAL 122 Cb 0.25 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2gsm h VAL 122 CO -0.23 0.08 0.20 0.25 0.02 0.00 0.00 177.57 177.88 2gsm h LEU 123 N 0.44 0.38 -0.84 2.57 5.85 -0.81 -2.18 115.31 120.72 2gsm h LEU 123 Ca 0.38 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 2gsm h LEU 123 Cb 0.53 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2gsm h LEU 123 CO -0.37 0.32 0.47 -0.26 -0.34 0.00 0.00 178.44 178.26 2gsm h PHE 124 N 0.42 1.14 -0.59 1.25 -1.00 0.27 -2.09 116.94 116.33 2gsm h PHE 124 Ca 0.12 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 2gsm h PHE 124 Cb 0.00 -0.37 -0.03 0.00 3.61 0.00 0.00 35.95 39.17 2gsm h PHE 124 CO -0.04 0.78 0.31 -0.97 -1.61 0.00 0.00 178.31 176.78 2gsm h ASN 125 N 1.16 0.72 -0.32 2.17 -1.24 -0.73 -1.78 115.58 115.56 2gsm h ASN 125 Ca 0.30 -0.06 -0.14 0.00 0.71 0.00 0.00 56.30 57.11 2gsm h ASN 125 Cb 0.01 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 38.87 2gsm h ASN 125 CO -0.05 0.59 -0.35 1.56 -1.29 0.00 0.00 177.43 177.89 2gsm h GLN 126 N 0.82 0.81 0.00 6.67 4.20 -0.91 -3.35 115.11 123.35 2gsm h GLN 126 Ca 0.21 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2gsm h GLN 126 Cb 0.04 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2gsm h GLN 126 CO -0.03 1.07 -1.32 1.04 -0.67 0.00 0.00 178.83 178.92 2gsm n GLN 127 N -4.16 0.45 -2.78 1.46 1.13 -0.83 -4.67 117.38 107.97 2gsm n GLN 127 Ca -0.03 -0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.53 2gsm n GLN 127 Cb 0.52 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.36 2gsm n GLN 127 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2gsm s GLU 128 N -3.10 3.40 -0.32 -1.09 2.02 -0.68 -5.00 118.70 113.93 2gsm s GLU 128 Ca 0.02 -0.08 -0.29 0.00 0.02 0.00 0.00 54.97 54.64 2gsm s GLU 128 Cb 0.14 -4.02 -0.00 0.00 0.10 0.00 0.00 34.13 30.35 2gsm s GLU 128 CO 0.84 -1.48 1.43 0.42 0.02 0.00 0.00 175.26 176.49 2gsm s ILE 129 N 4.12 3.93 1.17 -1.63 1.09 -1.26 -4.93 121.20 123.68 2gsm s ILE 129 Ca 0.34 1.02 -0.20 0.00 -1.10 0.00 0.00 60.65 60.72 2gsm s ILE 129 Cb -0.11 -4.05 0.28 0.00 -1.06 0.00 0.00 42.46 37.52 2gsm s ILE 129 CO 0.22 -0.52 1.19 -2.16 -0.10 0.00 0.00 174.94 173.56 2gsm s PRO 130 N 4.60 -0.98 0.17 2.79 0.04 -1.26 -5.00 135.00 135.36 2gsm s PRO 130 Ca 0.62 -0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 2gsm s PRO 130 Cb -0.18 -1.65 -0.08 0.00 0.04 0.00 0.00 34.50 32.64 2gsm s PRO 130 CO 0.28 -3.51 1.26 -1.21 0.04 0.00 0.00 177.00 173.86 2gsm s GLU 131 N -5.64 4.42 0.06 4.56 2.02 -1.26 -5.00 118.70 117.87 2gsm s GLU 131 Ca 0.73 1.95 -0.28 0.00 0.02 0.00 0.00 54.97 57.40 2gsm s GLU 131 Cb -0.06 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 2gsm s GLU 131 CO 0.55 -0.22 0.89 0.00 0.02 0.00 0.00 175.26 176.51 2gsm s ALA 132 N 0.30 3.27 0.03 5.21 0.00 -1.26 -4.83 121.76 124.47 2gsm s ALA 132 Ca 0.56 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 2gsm s ALA 132 Cb -0.34 -3.19 -0.31 0.00 0.00 0.00 0.00 23.12 19.28 2gsm s ALA 132 CO 0.35 -0.04 0.96 -0.44 0.00 0.00 0.00 175.76 176.60 2gsm h ASP 133 N 5.86 0.57 -3.65 0.00 3.32 -1.00 -3.47 116.42 118.05 2gsm h ASP 133 Ca -0.43 -0.68 -0.38 0.00 0.02 0.00 0.00 57.03 55.57 2gsm h ASP 133 Cb 1.21 -0.19 -0.32 0.00 0.22 0.00 0.00 39.33 40.26 2gsm h ASP 133 CO 0.72 1.55 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.33 2gsm s VAL 134 N -2.62 0.49 -0.14 -1.35 1.01 -0.73 -5.01 120.40 112.05 2gsm s VAL 134 Ca -0.08 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2gsm s VAL 134 Cb 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2gsm s VAL 134 CO 0.89 0.19 -0.20 -0.89 0.00 0.00 0.00 175.10 175.09 2gsm s THR 135 N 0.51 2.29 -0.09 3.92 2.01 -1.26 -0.79 115.64 122.23 2gsm s THR 135 Ca -0.06 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.06 2gsm s THR 135 Cb -0.10 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.49 2gsm s THR 135 CO -0.00 0.54 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 2gsm s VAL 136 N 0.77 1.73 -0.22 3.82 1.01 -0.54 -3.98 120.40 122.99 2gsm s VAL 136 Ca -0.07 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 2gsm s VAL 136 Cb -0.16 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2gsm s VAL 136 CO -0.00 0.49 0.11 -0.75 0.00 0.00 0.00 175.10 174.94 2gsm s LYS 137 N 0.55 3.93 -0.12 2.72 2.20 0.10 -0.35 119.74 128.78 2gsm s LYS 137 Ca -0.15 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 2gsm s LYS 137 Cb -0.17 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 2gsm s LYS 137 CO 0.05 0.06 -0.14 0.08 -0.36 0.00 0.00 175.35 175.04 2gsm s VAL 138 N 0.99 2.94 -0.11 4.02 1.01 0.16 -0.61 120.40 128.79 2gsm s VAL 138 Ca 0.05 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2gsm s VAL 138 Cb -0.14 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.03 2gsm s VAL 138 CO 0.03 0.54 -0.23 -0.89 0.00 0.00 0.00 175.10 174.55 2gsm s THR 139 N 0.22 2.03 0.00 3.92 2.01 0.45 -1.31 115.64 122.95 2gsm s THR 139 Ca -0.09 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 60.70 2gsm s THR 139 Cb -0.16 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 2gsm s THR 139 CO 0.05 0.55 0.65 -0.83 -0.69 0.00 0.00 174.62 174.36 2gsm s GLY 140 N 0.49 2.66 0.13 4.40 0.00 0.21 -0.40 107.32 114.81 2gsm s GLY 140 Ca -0.15 0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.72 2gsm s GLY 140 CO 0.06 0.90 -0.11 -0.19 0.00 0.00 0.00 173.10 173.76 2gsm s TYR 141 N -0.03 1.22 -0.55 1.90 1.51 -0.17 -0.71 117.35 120.51 2gsm s TYR 141 Ca 0.34 -0.70 -0.26 0.00 -1.01 0.00 0.00 57.07 55.43 2gsm s TYR 141 Cb -0.19 -0.64 0.03 0.00 -0.11 0.00 0.00 41.96 41.06 2gsm s TYR 141 CO 0.19 0.06 1.07 -0.65 -1.11 0.00 0.00 175.55 175.11 2gsm s GLN 142 N -3.30 3.47 -0.41 -0.62 -0.21 -1.26 -0.92 119.66 116.40 2gsm s GLN 142 Ca 0.12 0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.60 2gsm s GLN 142 Cb -0.00 -4.01 0.15 0.00 1.00 0.00 0.00 33.01 30.14 2gsm s GLN 142 CO 0.01 -1.54 0.26 -1.58 -2.12 0.00 0.00 175.29 170.32 2gsm s TRP 143 N 4.42 1.39 0.07 0.91 0.51 -1.26 -5.13 118.94 119.85 2gsm s TRP 143 Ca 0.38 -2.14 -0.27 0.00 -2.12 0.00 0.00 56.10 51.95 2gsm s TRP 143 Cb -0.10 -1.35 0.09 0.00 -0.81 0.00 0.00 33.47 31.30 2gsm s TRP 143 CO 0.24 -0.80 1.13 1.52 -0.51 0.00 0.00 176.95 178.53 2gsm s TYR 144 N 0.47 -0.06 -0.06 -1.98 1.13 -0.10 -4.70 117.35 112.06 2gsm s TYR 144 Ca 0.21 -0.15 0.04 0.00 -1.41 0.00 0.00 57.07 55.76 2gsm s TYR 144 Cb -0.17 0.60 -0.02 0.00 -1.10 0.00 0.00 41.96 41.27 2gsm s TYR 144 CO -0.04 -0.56 -0.16 -1.58 -2.51 0.00 0.00 175.55 170.70 2gsm s TRP 145 N -2.73 2.67 -0.15 -3.49 0.52 -0.87 -1.00 118.94 113.89 2gsm s TRP 145 Ca 0.15 -0.26 -0.05 0.00 0.02 0.00 0.00 56.10 55.96 2gsm s TRP 145 Cb 0.01 -1.64 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 2gsm s TRP 145 CO -0.00 0.11 0.01 0.20 0.02 0.00 0.00 176.95 177.28 2gsm s GLY 146 N -0.57 1.82 -0.03 0.98 0.00 0.47 -0.21 107.32 109.78 2gsm s GLY 146 Ca 0.08 -0.79 0.06 0.00 0.00 0.00 0.00 44.72 44.07 2gsm s GLY 146 CO 0.01 -0.14 -0.20 -0.19 0.00 0.00 0.00 173.10 172.58 2gsm s TYR 147 N 0.06 2.53 -0.02 1.90 1.51 0.07 -0.41 117.35 122.98 2gsm s TYR 147 Ca 0.02 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2gsm s TYR 147 Cb -0.13 -1.56 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 2gsm s TYR 147 CO 0.02 0.09 -0.05 -1.21 -1.11 0.00 0.00 175.55 173.29 2gsm s GLU 148 N -0.74 0.60 -0.55 -0.62 2.02 0.22 -1.78 118.70 117.84 2gsm s GLU 148 Ca 0.11 -0.15 -0.04 0.00 0.02 0.00 0.00 54.97 54.90 2gsm s GLU 148 Cb -0.10 -0.61 0.14 0.00 0.10 0.00 0.00 34.13 33.66 2gsm s GLU 148 CO 0.00 0.04 0.37 0.71 0.02 0.00 0.00 175.26 176.40 2gsm s TYR 149 N 0.33 3.49 0.52 1.61 1.51 0.38 0.01 117.35 125.19 2gsm s TYR 149 Ca -0.04 -2.48 0.16 0.00 -1.01 0.00 0.00 57.07 53.70 2gsm s TYR 149 Cb -0.08 -3.28 1.25 0.00 -0.11 0.00 0.00 41.96 39.74 2gsm s TYR 149 CO -0.00 -0.91 2.14 -1.00 -1.11 0.00 0.00 175.55 174.67 2gsm h PRO 150 N 7.57 0.00 0.00 -1.71 0.13 -1.85 0.55 132.00 136.69 2gsm h PRO 150 Ca -0.07 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 2gsm h PRO 150 Cb 1.00 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2gsm h PRO 150 CO 0.73 0.01 -0.23 -0.44 -0.23 0.00 0.00 178.00 177.84 2gsm h ASP 151 N 0.00 0.00 -0.01 1.44 3.45 -1.94 -3.30 116.42 116.07 2gsm h ASP 151 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2gsm h ASP 151 Cb 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 2gsm h ASP 151 CO 0.00 0.23 -0.26 -0.62 -1.57 0.00 0.00 179.24 177.03 2gsm n GLU 152 N -3.41 2.14 -3.92 3.56 -0.58 0.02 -4.99 120.64 113.47 2gsm n GLU 152 Ca 0.00 -0.58 -0.30 0.00 -0.42 0.00 0.00 57.16 55.86 2gsm n GLU 152 Cb 0.43 -1.11 0.02 0.00 -0.57 0.00 0.00 31.44 30.22 2gsm n GLU 152 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2gsm n GLU 153 N -0.32 -5.32 -4.42 3.49 1.02 -0.25 -4.99 120.64 109.85 2gsm n GLU 153 Ca 0.04 0.58 -0.34 0.00 -0.02 0.00 0.00 57.16 57.42 2gsm n GLU 153 Cb 0.23 -5.43 -0.10 0.00 -0.02 0.00 0.00 31.44 26.12 2gsm n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2gsm s ILE 154 N -3.34 4.13 0.01 -3.67 1.01 -1.18 -4.98 121.20 113.18 2gsm s ILE 154 Ca 0.61 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 2gsm s ILE 154 Cb -0.31 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.44 2gsm s ILE 154 CO 0.84 0.58 0.26 -0.94 0.00 0.00 0.00 174.94 175.68 2gsm s SER 155 N -0.62 -0.10 0.10 3.58 1.04 -1.26 -0.47 113.70 115.97 2gsm s SER 155 Ca 0.10 -0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.17 2gsm s SER 155 Cb -0.12 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.38 2gsm s SER 155 CO 0.02 -0.48 0.95 0.72 0.98 0.00 0.00 173.24 175.43 2gsm s PHE 156 N -1.77 -0.19 0.16 5.02 -0.71 -0.73 -5.02 117.98 114.74 2gsm s PHE 156 Ca -0.11 -0.06 0.08 0.00 -1.04 0.00 0.00 56.93 55.80 2gsm s PHE 156 Cb -0.04 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 2gsm s PHE 156 CO 0.01 -0.72 -0.06 -1.21 -1.34 0.00 0.00 175.22 171.90 2gsm s GLU 157 N -3.21 2.22 -0.15 1.99 8.01 -1.26 -0.75 118.70 125.55 2gsm s GLU 157 Ca 0.10 -1.13 -0.01 0.00 0.01 0.00 0.00 54.97 53.94 2gsm s GLU 157 Cb -0.01 -2.28 0.04 0.00 -4.31 0.00 0.00 34.13 27.57 2gsm s GLU 157 CO -0.01 0.46 -0.03 0.45 0.01 0.00 0.00 175.26 176.14 2gsm s SER 158 N -2.70 2.62 0.09 -0.19 0.15 0.71 -4.64 113.70 109.74 2gsm s SER 158 Ca 0.25 -0.58 0.09 0.00 0.70 0.00 0.00 55.95 56.41 2gsm s SER 158 Cb -0.10 -0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 63.38 2gsm s SER 158 CO 0.16 -0.20 -0.20 -0.31 1.20 0.00 0.00 173.24 173.89 2gsm s TYR 159 N 1.72 2.49 0.25 3.44 1.51 -1.26 -2.05 117.35 123.44 2gsm s TYR 159 Ca 0.01 -0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 55.47 2gsm s TYR 159 Cb -0.15 -1.37 -0.13 0.00 -0.11 0.00 0.00 41.96 40.20 2gsm s TYR 159 CO -0.07 0.32 1.49 -0.12 -1.11 0.00 0.00 175.55 176.05 2gsm n MET 160 N 1.12 2.25 -1.92 -0.62 0.00 -1.26 -0.74 117.12 115.96 2gsm n MET 160 Ca -0.16 0.80 -0.42 0.00 -0.00 0.00 0.00 57.70 57.92 2gsm n MET 160 Cb 0.52 -2.51 -0.03 0.00 0.00 0.00 0.00 33.22 31.20 2gsm n MET 160 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2gsm s ILE 161 N 0.09 3.32 0.00 1.12 1.01 -0.68 -1.71 121.20 124.35 2gsm s ILE 161 Ca 0.68 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.84 2gsm s ILE 161 Cb -0.60 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.54 2gsm s ILE 161 CO 0.48 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2gsm n GLY 162 N 4.17 0.47 3.76 6.18 0.00 -1.26 -4.66 105.19 113.85 2gsm n GLY 162 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2gsm n GLY 162 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gsm s SER 163 N -2.07 4.06 0.38 1.61 1.04 -0.69 -0.34 113.70 117.68 2gsm s SER 163 Ca 0.00 1.46 0.16 0.00 0.48 0.00 0.00 55.95 58.05 2gsm s SER 163 Cb 0.00 -2.18 1.03 0.00 0.10 0.00 0.00 66.02 64.97 2gsm s SER 163 CO 0.00 -2.27 1.79 -0.65 0.98 0.00 0.00 173.24 173.09 2gsm h PRO 164 N -1.29 0.45 -0.78 4.02 0.11 -1.81 -0.32 132.00 132.39 2gsm h PRO 164 Ca -0.48 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.74 2gsm h PRO 164 Cb 1.27 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 2gsm h PRO 164 CO 0.56 0.30 0.52 0.00 -0.21 0.00 0.00 178.00 179.17 2gsm h ALA 165 N 1.62 1.97 -0.60 -0.75 0.00 -1.90 -0.79 119.26 118.81 2gsm h ALA 165 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2gsm h ALA 165 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2gsm h ALA 165 CO -0.29 -0.17 0.00 0.25 0.00 0.00 0.00 179.25 179.04 2gsm n THR 166 N -4.50 0.88 -0.06 0.00 -2.24 -0.47 -4.92 114.28 102.96 2gsm n THR 166 Ca 0.15 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2gsm n THR 166 Cb 0.47 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2gsm n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gsm n GLY 167 N 1.43 0.69 1.86 3.38 0.00 -0.30 -4.82 105.19 107.43 2gsm n GLY 167 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 2gsm n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsm n GLY 168 N -2.02 2.63 2.63 -0.02 0.00 -0.25 -4.92 105.19 103.22 2gsm n GLY 168 Ca 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.72 2gsm n GLY 168 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gsm n ASP 169 N -2.14 2.36 -0.48 1.61 3.85 -1.11 -2.39 116.55 118.25 2gsm n ASP 169 Ca 0.02 -2.61 -0.06 0.00 -0.71 0.00 0.00 54.79 51.42 2gsm n ASP 169 Cb 0.30 -0.47 -0.02 0.00 -1.35 0.00 0.00 41.12 39.58 2gsm n ASP 169 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2gsm n ASN 170 N -0.48 -3.65 -4.15 -1.12 3.02 0.53 -4.97 115.26 104.44 2gsm n ASN 170 Ca 0.16 0.14 -0.11 0.00 -0.03 0.00 0.00 54.58 54.74 2gsm n ASN 170 Cb 0.82 -1.77 -0.10 0.00 -0.61 0.00 0.00 39.78 38.12 2gsm n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gsm s ARG 171 N -2.63 0.79 0.51 3.52 1.70 -1.26 -5.01 118.95 116.56 2gsm s ARG 171 Ca 0.00 -1.22 -0.23 0.00 -0.47 0.00 0.00 55.73 53.82 2gsm s ARG 171 Cb 0.00 -0.26 -0.06 0.00 -0.57 0.00 0.00 34.95 34.06 2gsm s ARG 171 CO 0.00 0.01 1.30 1.41 -1.08 0.00 0.00 175.30 176.94 2gsm s MET 172 N -3.34 3.41 0.20 3.89 -2.45 -1.26 -4.89 119.30 114.86 2gsm s MET 172 Ca 0.07 2.11 -0.23 0.00 -1.25 0.00 0.00 55.69 56.39 2gsm s MET 172 Cb 0.02 -2.36 0.05 0.00 1.25 0.00 0.00 34.83 33.79 2gsm s MET 172 CO -0.03 -0.94 0.76 -1.54 1.05 0.00 0.00 175.02 174.32 2gsm s SER 173 N -1.03 -0.33 0.21 1.11 1.04 -1.26 -4.99 113.70 108.45 2gsm s SER 173 Ca 0.68 -0.37 -0.10 0.00 0.48 0.00 0.00 55.95 56.64 2gsm s SER 173 Cb -0.37 0.62 0.29 0.00 0.10 0.00 0.00 66.02 66.66 2gsm s SER 173 CO 0.45 -1.10 1.71 -0.65 0.98 0.00 0.00 173.24 174.62 2gsm h PRO 174 N 2.00 0.26 -0.30 4.02 0.11 -1.99 -0.18 132.00 135.91 2gsm h PRO 174 Ca -0.24 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.89 2gsm h PRO 174 Cb 1.26 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2gsm h PRO 174 CO 0.28 0.17 0.10 1.49 -0.21 0.00 0.00 178.00 179.83 2gsm h GLU 175 N 0.26 0.23 -0.49 1.05 4.57 -1.99 -0.85 114.58 117.37 2gsm h GLU 175 Ca 0.31 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.49 2gsm h GLU 175 Cb 0.46 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 2gsm h GLU 175 CO -0.39 0.15 0.31 0.28 -1.18 0.00 0.00 179.01 178.18 2gsm h VAL 176 N 0.24 1.09 -0.72 0.32 2.07 -1.79 -1.14 116.25 116.32 2gsm h VAL 176 Ca 0.13 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2gsm h VAL 176 Cb 0.10 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2gsm h VAL 176 CO -0.14 0.11 0.46 -0.08 0.02 0.00 0.00 177.57 177.94 2gsm h GLU 177 N 0.62 0.88 -0.44 1.57 4.81 -0.75 -0.01 114.58 121.27 2gsm h GLU 177 Ca 0.19 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2gsm h GLU 177 Cb -0.03 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 2gsm h GLU 177 CO -0.06 0.58 0.28 0.37 -0.73 0.00 0.00 179.01 179.45 2gsm h GLN 178 N 0.91 0.55 -0.45 1.92 5.75 -0.87 -0.62 115.11 122.30 2gsm h GLN 178 Ca 0.28 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.71 2gsm h GLN 178 Cb -0.02 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2gsm h GLN 178 CO -0.10 0.36 0.10 1.96 -2.65 0.00 0.00 178.83 178.51 2gsm h GLN 179 N 0.57 0.67 -0.17 1.69 4.20 -0.76 0.39 115.11 121.70 2gsm h GLN 179 Ca 0.17 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2gsm h GLN 179 Cb -0.03 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2gsm h GLN 179 CO -0.06 0.62 0.02 -0.07 -0.67 0.00 0.00 178.83 178.67 2gsm h LEU 180 N 0.66 0.28 -0.19 1.46 3.38 -0.47 -2.45 115.31 117.97 2gsm h LEU 180 Ca 0.15 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2gsm h LEU 180 Cb 0.26 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2gsm h LEU 180 CO -0.00 0.49 -0.24 0.40 0.09 0.00 0.00 178.44 179.18 2gsm h ILE 181 N 0.06 0.41 -0.06 1.22 1.08 -0.73 0.61 117.51 120.11 2gsm h ILE 181 Ca 0.05 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.54 2gsm h ILE 181 Cb 0.34 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 2gsm h ILE 181 CO 0.01 0.00 0.04 -0.33 -0.69 0.00 0.00 178.15 177.18 2gsm h GLU 182 N -0.27 0.01 -0.01 2.37 5.08 -0.83 -0.67 114.58 120.27 2gsm h GLU 182 Ca 0.12 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2gsm h GLU 182 Cb 0.45 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2gsm h GLU 182 CO -0.35 0.01 -0.05 0.00 -1.00 0.00 0.00 179.01 177.62 2gsm n ALA 183 N -2.55 2.70 -0.27 3.43 0.00 -0.93 -4.92 120.51 117.97 2gsm n ALA 183 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2gsm n ALA 183 Cb 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2gsm n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gsm n GLY 184 N 1.18 0.84 0.00 0.00 0.00 -0.26 -5.08 105.19 101.87 2gsm n GLY 184 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2gsm n GLY 184 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gsm n TYR 185 N -2.27 -0.14 -4.24 1.61 4.01 0.18 -5.01 117.16 111.32 2gsm n TYR 185 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 2gsm n TYR 185 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 2gsm n TYR 185 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2gsm s SER 186 N 0.24 1.46 0.58 7.72 1.04 -1.26 -3.78 113.70 119.69 2gsm s SER 186 Ca 0.00 -1.69 0.35 0.00 0.48 0.00 0.00 55.95 55.09 2gsm s SER 186 Cb 0.00 0.58 1.74 0.00 0.10 0.00 0.00 66.02 68.44 2gsm s SER 186 CO 0.00 -1.11 2.14 0.08 0.98 0.00 0.00 173.24 175.33 2gsm h ARG 187 N 2.15 0.00 0.00 4.02 0.11 -1.93 -2.31 114.38 116.41 2gsm h ARG 187 Ca -0.26 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.81 2gsm h ARG 187 Cb 1.23 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 2gsm h ARG 187 CO 0.37 0.05 -0.02 -0.44 0.10 0.00 0.00 179.97 180.03 2gsm h ASP 188 N 0.00 0.00 -0.44 0.08 3.32 -2.00 -2.17 116.42 115.20 2gsm h ASP 188 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gsm h ASP 188 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2gsm h ASP 188 CO 0.01 0.02 0.00 -0.62 -1.72 0.00 0.00 179.24 176.93 2gsm n GLU 189 N -3.25 2.32 -1.69 3.56 4.71 -0.87 -4.94 120.64 120.48 2gsm n GLU 189 Ca -0.02 -2.01 -0.44 0.00 -0.01 0.00 0.00 57.16 54.68 2gsm n GLU 189 Cb 0.17 -1.47 -0.02 0.00 -1.01 0.00 0.00 31.44 29.10 2gsm n GLU 189 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2gsm n PHE 190 N 1.18 2.34 0.00 -0.32 7.35 -0.82 -1.26 117.46 125.92 2gsm n PHE 190 Ca 0.19 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 57.28 2gsm n PHE 190 Cb 0.51 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.85 2gsm n PHE 190 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2gsm n LEU 191 N 2.05 0.00 -0.08 -2.13 4.77 -1.26 -4.82 117.00 115.54 2gsm n LEU 191 Ca 0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 2gsm n LEU 191 Cb 0.33 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 2gsm n LEU 191 CO 0.63 0.00 -1.03 0.18 -1.33 0.00 0.00 177.39 175.84 2gsm n LEU 192 N 0.00 2.59 -4.75 2.23 4.77 -0.39 -4.61 117.00 116.83 2gsm n LEU 192 Ca 0.00 -0.02 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 2gsm n LEU 192 Cb 0.00 -0.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 2gsm n LEU 192 CO 0.00 0.68 0.76 0.00 -1.33 0.00 0.00 177.39 177.50 2gsm s ALA 193 N -2.31 3.38 0.28 -1.18 0.00 -0.69 -4.16 121.76 117.07 2gsm s ALA 193 Ca -0.22 0.81 0.09 0.00 0.00 0.00 0.00 51.96 52.65 2gsm s ALA 193 Cb 0.06 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2gsm s ALA 193 CO 0.35 -0.09 0.02 0.95 0.00 0.00 0.00 175.76 176.99 2gsm s THR 194 N -0.91 3.40 0.30 0.00 -4.23 -1.26 -1.69 115.64 111.25 2gsm s THR 194 Ca 0.45 -1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2gsm s THR 194 Cb -0.30 -2.88 0.20 0.00 1.34 0.00 0.00 72.50 70.86 2gsm s THR 194 CO 0.37 -0.35 1.89 -2.24 -0.54 0.00 0.00 174.62 173.76 2gsm h ASP 195 N 1.83 0.77 -3.59 3.99 2.03 -1.22 -3.43 116.42 116.80 2gsm h ASP 195 Ca -0.44 -0.09 -0.55 0.00 -0.73 0.00 0.00 57.03 55.21 2gsm h ASP 195 Cb 1.25 -0.20 -0.19 0.00 -0.83 0.00 0.00 39.33 39.36 2gsm h ASP 195 CO 0.61 0.68 -0.80 0.42 -1.03 0.00 0.00 179.24 179.12 2gsm s THR 196 N -5.43 1.90 0.18 1.15 -4.23 -1.26 -5.04 115.64 102.92 2gsm s THR 196 Ca -0.10 -1.88 0.11 0.00 -1.18 0.00 0.00 61.69 58.64 2gsm s THR 196 Cb 0.16 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 2gsm s THR 196 CO 0.79 -0.23 -0.21 0.00 -0.54 0.00 0.00 174.62 174.42 2gsm s ALA 197 N -1.83 2.62 -0.35 3.99 0.00 -1.26 -4.74 121.76 120.19 2gsm s ALA 197 Ca 0.15 -1.58 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 2gsm s ALA 197 Cb -0.07 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2gsm s ALA 197 CO 0.07 0.45 1.20 1.41 0.00 0.00 0.00 175.76 178.89 2gsm s MET 198 N -2.64 3.91 -0.08 0.00 1.75 -0.08 -4.91 119.30 117.25 2gsm s MET 198 Ca 0.21 1.04 -0.02 0.00 -1.25 0.00 0.00 55.69 55.67 2gsm s MET 198 Cb -0.08 -3.85 -0.03 0.00 2.84 0.00 0.00 34.83 33.71 2gsm s MET 198 CO 0.11 -1.13 0.02 0.14 -0.65 0.00 0.00 175.02 173.51 2gsm s VAL 199 N 4.22 4.46 0.03 10.11 -7.23 -1.26 -0.67 120.40 130.06 2gsm s VAL 199 Ca 0.51 -0.23 -0.05 0.00 -1.81 0.00 0.00 61.98 60.40 2gsm s VAL 199 Cb -0.13 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 33.89 2gsm s VAL 199 CO 0.23 0.57 0.08 0.68 -0.31 0.00 0.00 175.10 176.36 2gsm s VAL 200 N -0.94 0.13 0.30 1.32 -7.23 -0.56 -4.96 120.40 108.45 2gsm s VAL 200 Ca 0.15 -1.08 -0.25 0.00 -1.81 0.00 0.00 61.98 58.99 2gsm s VAL 200 Cb -0.11 -0.84 -0.09 0.00 0.56 0.00 0.00 36.38 35.89 2gsm s VAL 200 CO 0.04 -0.60 0.89 -2.16 -0.31 0.00 0.00 175.10 172.96 2gsm s PRO 201 N -2.50 4.51 0.67 4.82 0.04 -1.26 -1.05 135.00 140.23 2gsm s PRO 201 Ca -0.06 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.03 2gsm s PRO 201 Cb -0.02 -2.83 -0.00 0.00 0.04 0.00 0.00 34.50 31.69 2gsm s PRO 201 CO -0.04 0.31 1.24 1.33 0.04 0.00 0.00 177.00 179.88 2gsm n VAL 202 N 0.63 4.42 -1.72 -0.36 0.24 0.10 -3.69 118.33 117.94 2gsm n VAL 202 Ca 0.01 -0.46 -0.17 0.00 -2.04 0.00 0.00 64.34 61.68 2gsm n VAL 202 Cb 0.50 -1.41 -0.06 0.00 -1.47 0.00 0.00 33.84 31.40 2gsm n VAL 202 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2gsm n ASN 203 N -1.98 -5.07 -4.47 -1.34 3.02 0.70 -4.82 115.26 101.30 2gsm n ASN 203 Ca 0.15 0.31 -0.29 0.00 -0.03 0.00 0.00 54.58 54.73 2gsm n ASN 203 Cb 0.48 -4.11 -0.11 0.00 -0.61 0.00 0.00 39.78 35.43 2gsm n ASN 203 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2gsm s LYS 204 N -3.82 1.71 -0.36 3.52 -0.14 -1.24 -5.00 119.74 114.40 2gsm s LYS 204 Ca 0.00 -1.28 -0.29 0.00 -1.36 0.00 0.00 55.97 53.04 2gsm s LYS 204 Cb 0.00 -2.04 0.02 0.00 -1.68 0.00 0.00 37.83 34.13 2gsm s LYS 204 CO 0.00 0.46 1.09 0.99 -0.76 0.00 0.00 175.35 177.13 2gsm s THR 205 N -1.29 4.43 -0.23 2.17 2.01 -1.26 -4.14 115.64 117.33 2gsm s THR 205 Ca 0.19 1.61 -0.08 0.00 0.31 0.00 0.00 61.69 63.71 2gsm s THR 205 Cb -0.10 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 2gsm s THR 205 CO 0.10 -0.61 0.10 -0.69 -0.69 0.00 0.00 174.62 172.83 2gsm s VAL 206 N 3.86 4.83 -0.19 3.82 1.01 -0.24 -0.26 120.40 133.23 2gsm s VAL 206 Ca 0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 2gsm s VAL 206 Cb -0.11 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2gsm s VAL 206 CO 0.20 0.37 0.02 -0.69 0.00 0.00 0.00 175.10 175.00 2gsm s VAL 207 N 1.07 4.25 -0.18 2.92 1.01 0.03 -1.87 120.40 127.64 2gsm s VAL 207 Ca 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 2gsm s VAL 207 Cb -0.14 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2gsm s VAL 207 CO 0.04 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 174.83 2gsm s VAL 208 N 0.76 3.55 -0.23 2.92 1.01 -0.57 -1.47 120.40 126.36 2gsm s VAL 208 Ca 0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 2gsm s VAL 208 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2gsm s VAL 208 CO 0.02 0.46 0.12 -1.10 0.00 0.00 0.00 175.10 174.60 2gsm s GLN 209 N 0.88 3.93 -0.11 2.72 -0.21 0.53 -1.37 119.66 126.03 2gsm s GLN 209 Ca -0.01 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.04 2gsm s GLN 209 Cb -0.15 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.43 2gsm s GLN 209 CO 0.01 0.02 -0.16 0.08 -2.12 0.00 0.00 175.29 173.12 2gsm s VAL 210 N 1.11 2.78 0.19 1.09 1.01 0.15 0.38 120.40 127.11 2gsm s VAL 210 Ca 0.06 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2gsm s VAL 210 Cb -0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2gsm s VAL 210 CO 0.04 0.54 0.28 0.28 0.00 0.00 0.00 175.10 176.24 2gsm s THR 211 N 0.20 0.04 0.06 3.92 -1.32 -0.43 -1.56 115.64 116.55 2gsm s THR 211 Ca -0.10 -1.58 0.07 0.00 -1.21 0.00 0.00 61.69 58.87 2gsm s THR 211 Cb -0.16 -2.09 -0.03 0.00 -1.51 0.00 0.00 72.50 68.71 2gsm s THR 211 CO 0.06 -0.18 -0.14 -0.83 -2.21 0.00 0.00 174.62 171.32 2gsm s GLY 212 N -3.03 1.66 0.03 6.08 0.00 -1.20 -0.62 107.32 110.24 2gsm s GLY 212 Ca 0.24 -1.19 0.21 0.00 0.00 0.00 0.00 44.72 43.97 2gsm s GLY 212 CO 0.05 -1.11 0.64 0.00 0.00 0.00 0.00 173.10 172.69 2gsm n ALA 213 N 1.29 2.38 0.11 3.20 0.00 0.11 -3.47 120.51 124.12 2gsm n ALA 213 Ca -0.15 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2gsm n ALA 213 Cb 0.52 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2gsm n ALA 213 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2gsm n ASP 214 N -2.56 -0.16 -4.64 0.00 5.68 -1.26 -4.99 116.55 108.62 2gsm n ASP 214 Ca -0.08 0.37 -0.30 0.00 -0.50 0.00 0.00 54.79 54.29 2gsm n ASP 214 Cb 0.70 0.33 -0.09 0.00 -1.14 0.00 0.00 41.12 40.92 2gsm n ASP 214 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2gsm s VAL 215 N -1.73 1.46 0.03 2.12 -7.23 -1.26 -4.87 120.40 108.92 2gsm s VAL 215 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 2gsm s VAL 215 Cb 0.00 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 2gsm s VAL 215 CO 0.00 0.00 1.37 -0.63 -0.31 0.00 0.00 175.10 175.53 2gsm s ILE 216 N -2.86 3.66 0.47 -0.62 1.01 -1.26 -4.48 121.20 117.11 2gsm s ILE 216 Ca 0.21 1.10 0.02 0.00 0.00 0.00 0.00 60.65 61.98 2gsm s ILE 216 Cb 0.05 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.83 2gsm s ILE 216 CO 0.11 0.03 0.14 1.41 0.00 0.00 0.00 174.94 176.63 2gsm n HIS 217 N 4.85 0.38 -3.72 3.97 8.25 -0.77 -4.46 115.22 123.73 2gsm n HIS 217 Ca 0.12 -2.18 -0.14 0.00 -0.26 0.00 0.00 57.72 55.26 2gsm n HIS 217 Cb 0.44 -0.34 -0.15 0.00 1.12 0.00 0.00 29.99 31.06 2gsm n HIS 217 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2gsm s SER 218 N -3.64 0.10 -0.14 0.41 0.15 -1.26 0.80 113.70 110.12 2gsm s SER 218 Ca 0.11 0.35 -0.13 0.00 0.70 0.00 0.00 55.95 56.97 2gsm s SER 218 Cb -0.01 0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 64.51 2gsm s SER 218 CO 0.07 -0.18 0.28 0.86 1.20 0.00 0.00 173.24 175.47 2gsm s TRP 219 N 1.51 3.51 -0.04 3.44 -0.00 -0.68 -1.65 118.94 125.03 2gsm s TRP 219 Ca -0.06 0.63 -0.21 0.00 -0.00 0.00 0.00 56.10 56.46 2gsm s TRP 219 Cb -0.12 -2.28 0.04 0.00 -0.00 0.00 0.00 33.47 31.12 2gsm s TRP 219 CO -0.06 0.36 0.46 -0.08 -0.00 0.00 0.00 176.95 177.63 2gsm s THR 220 N 0.07 0.03 -0.26 5.86 -1.32 -1.26 -1.16 115.64 117.60 2gsm s THR 220 Ca 0.17 -0.26 -0.04 0.00 -1.21 0.00 0.00 61.69 60.35 2gsm s THR 220 Cb -0.13 -0.77 0.09 0.00 -1.51 0.00 0.00 72.50 70.18 2gsm s THR 220 CO 0.05 -0.14 0.12 -0.69 -2.21 0.00 0.00 174.62 171.74 2gsm s VAL 221 N -1.14 0.00 0.30 5.08 1.01 -0.92 -3.85 120.40 120.87 2gsm s VAL 221 Ca -0.11 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2gsm s VAL 221 Cb -0.03 -0.94 0.30 0.00 0.00 0.00 0.00 36.38 35.71 2gsm s VAL 221 CO 0.06 -0.62 1.67 -0.65 0.00 0.00 0.00 175.10 175.56 2gsm h PRO 222 N 8.39 0.31 0.00 2.72 0.11 -1.79 0.72 132.00 142.45 2gsm h PRO 222 Ca -0.18 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 2gsm h PRO 222 Cb 1.04 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2gsm h PRO 222 CO 0.41 0.20 -0.05 0.00 -0.21 0.00 0.00 178.00 178.35 2gsm h ALA 223 N 1.76 1.28 0.00 -0.75 0.00 -1.85 -2.02 119.26 117.67 2gsm h ALA 223 Ca 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2gsm h ALA 223 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2gsm h ALA 223 CO -0.59 0.07 -0.89 1.19 0.00 0.00 0.00 179.25 179.03 2gsm n PHE 224 N -3.56 0.10 -2.35 0.00 3.72 0.21 -1.43 117.46 114.15 2gsm n PHE 224 Ca -0.02 0.03 -0.11 0.00 -0.05 0.00 0.00 57.45 57.30 2gsm n PHE 224 Cb 0.17 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 2gsm n PHE 224 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gsm n GLY 225 N 1.44 -0.03 3.37 1.37 0.00 -0.76 -3.63 105.19 106.95 2gsm n GLY 225 Ca 0.03 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2gsm n GLY 225 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gsm s VAL 226 N -2.64 2.19 -0.29 1.61 -7.23 -1.21 -4.79 120.40 108.05 2gsm s VAL 226 Ca 0.05 -1.70 -0.15 0.00 -1.81 0.00 0.00 61.98 58.37 2gsm s VAL 226 Cb -0.02 -1.94 0.12 0.00 0.56 0.00 0.00 36.38 35.10 2gsm s VAL 226 CO 0.06 0.10 0.84 -0.75 -0.31 0.00 0.00 175.10 175.05 2gsm s LYS 227 N -1.96 0.51 -0.13 4.82 2.20 -1.26 -2.18 119.74 121.74 2gsm s LYS 227 Ca 0.13 0.95 -0.07 0.00 -0.36 0.00 0.00 55.97 56.63 2gsm s LYS 227 Cb -0.10 0.22 0.05 0.00 -1.51 0.00 0.00 37.83 36.50 2gsm s LYS 227 CO 0.05 -0.12 0.31 -1.14 -0.36 0.00 0.00 175.35 174.09 2gsm s GLN 228 N 1.73 0.27 0.48 4.03 2.00 -0.31 -5.01 119.66 122.86 2gsm s GLN 228 Ca -0.08 0.64 -0.23 0.00 -2.00 0.00 0.00 55.36 53.69 2gsm s GLN 228 Cb -0.05 -0.07 -0.07 0.00 0.80 0.00 0.00 33.01 33.62 2gsm s GLN 228 CO -0.17 -0.17 1.27 -0.51 -0.50 0.00 0.00 175.29 175.20 2gsm s ASP 229 N 1.40 5.83 -0.82 6.67 -0.00 -1.26 -1.68 116.67 126.81 2gsm s ASP 229 Ca -0.09 2.55 -0.11 0.00 -0.00 0.00 0.00 52.55 54.91 2gsm s ASP 229 Cb -0.10 -2.62 0.21 0.00 -0.00 0.00 0.00 42.92 40.41 2gsm s ASP 229 CO -0.10 -1.17 0.73 0.00 -0.00 0.00 0.00 175.17 174.63 2gsm s ALA 230 N -1.40 4.05 -0.25 5.23 0.00 0.24 -4.71 121.76 124.92 2gsm s ALA 230 Ca 0.66 -3.39 -0.12 0.00 0.00 0.00 0.00 51.96 49.11 2gsm s ALA 230 Cb -0.35 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2gsm s ALA 230 CO 0.42 -2.23 0.21 0.08 0.00 0.00 0.00 175.76 174.24 2gsm s VAL 231 N -0.09 5.31 0.06 0.00 1.01 -1.26 -1.84 120.40 123.59 2gsm s VAL 231 Ca 0.19 0.27 -0.36 0.00 0.00 0.00 0.00 61.98 62.08 2gsm s VAL 231 Cb -0.12 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.55 2gsm s VAL 231 CO -0.08 0.29 1.49 -2.65 0.00 0.00 0.00 175.10 174.16 2gsm n PRO 232 N 4.61 1.52 -0.08 2.72 -0.02 -1.23 -1.82 135.00 140.70 2gsm n PRO 232 Ca -0.13 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2gsm n PRO 232 Cb 0.52 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2gsm n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gsm n GLY 233 N 3.09 1.02 3.10 -1.23 0.00 -1.26 -4.92 105.19 104.99 2gsm n GLY 233 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2gsm n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsm s ARG 234 N -0.63 1.30 -0.29 1.61 0.52 -0.75 -5.12 118.95 115.59 2gsm s ARG 234 Ca 0.00 -0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 54.64 2gsm s ARG 234 Cb 0.00 -1.21 0.01 0.00 0.52 0.00 0.00 34.95 34.27 2gsm s ARG 234 CO 0.00 0.25 0.07 -1.17 0.02 0.00 0.00 175.30 174.47 2gsm s LEU 235 N -0.13 3.77 0.21 2.53 2.96 -1.26 -4.34 118.68 122.42 2gsm s LEU 235 Ca 0.01 -0.67 0.10 0.00 -0.22 0.00 0.00 54.13 53.35 2gsm s LEU 235 Cb -0.08 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2gsm s LEU 235 CO 0.00 -0.17 -0.14 0.00 -1.32 0.00 0.00 176.35 174.72 2gsm s ALA 236 N 1.50 2.82 0.14 5.97 0.00 -0.60 -4.90 121.76 126.69 2gsm s ALA 236 Ca 0.03 -1.60 0.10 0.00 0.00 0.00 0.00 51.96 50.49 2gsm s ALA 236 Cb -0.17 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 2gsm s ALA 236 CO 0.02 0.41 -0.23 -0.65 0.00 0.00 0.00 175.76 175.31 2gsm s GLN 237 N -2.98 1.56 0.14 0.00 -0.21 -1.26 0.34 119.66 117.25 2gsm s GLN 237 Ca 0.25 -1.32 -0.02 0.00 0.02 0.00 0.00 55.36 54.29 2gsm s GLN 237 Cb -0.08 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 2gsm s GLN 237 CO 0.14 0.45 0.08 -0.48 -2.12 0.00 0.00 175.29 173.36 2gsm s LEU 238 N -2.21 1.68 0.05 2.90 0.05 -0.47 -4.99 118.68 115.69 2gsm s LEU 238 Ca 0.17 -1.19 0.01 0.00 0.05 0.00 0.00 54.13 53.17 2gsm s LEU 238 Cb -0.10 0.37 -0.03 0.00 -2.05 0.00 0.00 46.19 44.38 2gsm s LEU 238 CO 0.08 -0.75 -0.06 -1.66 -0.55 0.00 0.00 176.35 173.42 2gsm s TRP 239 N -4.05 0.58 0.09 3.48 1.48 -1.26 -1.51 118.94 117.75 2gsm s TRP 239 Ca 0.24 -0.66 -0.13 0.00 -1.06 0.00 0.00 56.10 54.49 2gsm s TRP 239 Cb 0.07 -0.36 0.02 0.00 -1.16 0.00 0.00 33.47 32.03 2gsm s TRP 239 CO 0.02 -0.16 0.30 -0.59 -4.06 0.00 0.00 176.95 172.45 2gsm s PHE 240 N -2.15 -0.04 -0.19 1.66 -0.71 -0.78 -4.93 117.98 110.83 2gsm s PHE 240 Ca -0.05 -0.27 -0.01 0.00 -1.04 0.00 0.00 56.93 55.55 2gsm s PHE 240 Cb -0.05 0.10 0.05 0.00 -1.21 0.00 0.00 43.02 41.91 2gsm s PHE 240 CO -0.02 -0.59 -0.03 0.50 -1.34 0.00 0.00 175.22 173.74 2gsm s ARG 241 N -3.53 1.23 0.14 1.99 3.52 -1.26 -1.08 118.95 119.96 2gsm s ARG 241 Ca 0.02 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 2gsm s ARG 241 Cb 0.02 -2.16 -0.07 0.00 -1.56 0.00 0.00 34.95 31.19 2gsm s ARG 241 CO -0.10 -0.53 1.08 0.00 -0.81 0.00 0.00 175.30 174.94 2gsm s ALA 242 N 1.65 3.34 -1.95 6.12 0.00 -1.26 -4.24 121.76 125.42 2gsm s ALA 242 Ca -0.01 0.76 0.19 0.00 0.00 0.00 0.00 51.96 52.90 2gsm s ALA 242 Cb -0.17 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.64 2gsm s ALA 242 CO -0.07 -0.21 1.01 0.39 0.00 0.00 0.00 175.76 176.88 2gsm n GLU 243 N 2.75 1.56 -3.64 0.00 1.02 0.39 -0.21 120.64 122.51 2gsm n GLU 243 Ca 0.04 -1.11 -0.12 0.00 -0.02 0.00 0.00 57.16 55.94 2gsm n GLU 243 Cb 0.47 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 2gsm n GLU 243 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2gsm s ARG 244 N -2.04 0.97 0.56 3.49 1.70 -1.26 -4.90 118.95 117.48 2gsm s ARG 244 Ca 0.18 -0.44 -0.16 0.00 -0.47 0.00 0.00 55.73 54.84 2gsm s ARG 244 Cb 0.16 0.43 -0.06 0.00 -0.57 0.00 0.00 34.95 34.92 2gsm s ARG 244 CO 0.42 -0.35 1.02 -1.21 -1.08 0.00 0.00 175.30 174.10 2gsm s GLU 245 N -2.84 3.63 0.00 3.89 2.02 -1.26 -4.85 118.70 119.29 2gsm s GLU 245 Ca -0.03 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.02 2gsm s GLU 245 Cb -0.00 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.15 2gsm s GLU 245 CO -0.05 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.09 2gsm n GLY 246 N -1.36 -0.55 3.44 -1.39 0.00 -0.35 -4.73 105.19 100.25 2gsm n GLY 246 Ca 0.08 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 2gsm n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gsm s ILE 247 N -2.65 3.34 -0.05 -0.61 1.01 0.45 -0.70 121.20 121.99 2gsm s ILE 247 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2gsm s ILE 247 Cb 0.00 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 40.09 2gsm s ILE 247 CO 0.00 0.54 -0.02 -0.36 0.00 0.00 0.00 174.94 175.09 2gsm s PHE 248 N 0.05 0.62 0.02 3.97 0.08 -0.42 -1.42 117.98 120.88 2gsm s PHE 248 Ca -0.03 -0.15 0.02 0.00 0.12 0.00 0.00 56.93 56.89 2gsm s PHE 248 Cb -0.14 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 2gsm s PHE 248 CO 0.04 -0.21 0.02 -0.06 -0.10 0.00 0.00 175.22 174.90 2gsm s PHE 249 N 1.22 3.10 0.30 0.36 0.08 0.21 -1.03 117.98 122.23 2gsm s PHE 249 Ca -0.06 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.09 2gsm s PHE 249 Cb -0.14 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 2gsm s PHE 249 CO -0.02 0.48 0.10 0.20 -0.10 0.00 0.00 175.22 175.88 2gsm s GLY 250 N -1.74 1.96 0.06 4.36 0.00 -0.29 -4.18 107.32 107.49 2gsm s GLY 250 Ca 0.22 -1.85 0.03 0.00 0.00 0.00 0.00 44.72 43.12 2gsm s GLY 250 CO 0.13 -1.68 -0.09 1.20 0.00 0.00 0.00 173.10 172.66 2gsm s GLN 251 N -3.94 0.66 0.23 2.90 -0.21 -1.26 -0.14 119.66 117.89 2gsm s GLN 251 Ca 0.36 -0.90 -0.31 0.00 0.02 0.00 0.00 55.36 54.53 2gsm s GLN 251 Cb 0.07 -0.43 -0.11 0.00 1.00 0.00 0.00 33.01 33.55 2gsm s GLN 251 CO 0.15 0.08 1.58 0.00 -2.12 0.00 0.00 175.29 174.98 2gsm n SER 253 N 3.12 1.67 -3.71 0.00 7.64 -0.66 -4.88 113.62 116.80 2gsm n SER 253 Ca 0.11 -3.78 -0.16 0.00 1.01 0.00 0.00 58.87 56.06 2gsm n SER 253 Cb 0.38 -0.51 -0.15 0.00 -1.01 0.00 0.00 64.21 62.91 2gsm n SER 253 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2gsm s GLU 254 N -3.03 0.04 0.05 1.43 2.56 -1.26 -4.61 118.70 113.88 2gsm s GLU 254 Ca 0.38 0.43 -0.34 0.00 0.00 0.00 0.00 54.97 55.44 2gsm s GLU 254 Cb 0.37 -0.26 -0.13 0.00 2.00 0.00 0.00 34.13 36.12 2gsm s GLU 254 CO -0.07 -0.24 1.73 -0.11 -0.56 0.00 0.00 175.26 176.00 2gsm n LEU 255 N 4.77 3.31 -0.28 2.70 7.94 -1.26 -4.54 117.00 129.65 2gsm n LEU 255 Ca -0.15 1.03 0.01 0.00 -1.11 0.00 0.00 56.01 55.79 2gsm n LEU 255 Cb 0.51 -1.41 0.02 0.00 0.53 0.00 0.00 43.42 43.07 2gsm n LEU 255 CO 0.12 -0.16 0.31 0.00 -1.11 0.00 0.00 177.39 176.55 2gsm n GLY 257 N -0.25 0.29 0.32 0.00 0.00 -1.26 -4.80 105.19 99.50 2gsm n GLY 257 Ca 0.02 -2.27 0.09 0.00 0.00 0.00 0.00 46.02 43.87 2gsm n GLY 257 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2gsm h ILE 258 N 0.00 0.97 -0.17 -0.61 2.10 -2.03 -2.67 117.51 115.09 2gsm h ILE 258 Ca 0.00 -0.11 -0.08 0.00 1.08 0.00 0.00 64.86 65.75 2gsm h ILE 258 Cb 0.00 0.62 -0.05 0.00 -1.09 0.00 0.00 36.82 36.30 2gsm h ILE 258 CO 0.00 0.06 -0.23 -1.20 -1.08 0.00 0.00 178.15 175.70 2gsm n SER 259 N -4.48 2.25 -0.32 2.19 7.64 -1.26 -4.68 113.62 114.97 2gsm n SER 259 Ca 0.05 -3.70 0.17 0.00 1.01 0.00 0.00 58.87 56.39 2gsm n SER 259 Cb 0.24 -0.57 0.36 0.00 -1.01 0.00 0.00 64.21 63.23 2gsm n SER 259 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2gsm h HIS 260 N 0.95 0.72 0.00 1.43 6.17 -1.78 0.36 115.15 122.99 2gsm h HIS 260 Ca 0.09 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.22 2gsm h HIS 260 Cb 1.31 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 31.08 2gsm h HIS 260 CO 0.78 -0.10 0.00 0.00 0.71 0.00 0.00 177.93 179.32 2gsm n ALA 261 N -2.46 2.17 -2.07 5.26 0.00 -1.26 -4.03 120.51 118.13 2gsm n ALA 261 Ca 0.25 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 2gsm n ALA 261 Cb 0.76 -1.39 0.08 0.00 0.00 0.00 0.00 19.45 18.90 2gsm n ALA 261 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gsm n TYR 262 N -1.37 1.35 -3.16 0.00 4.01 0.11 -4.85 117.16 113.25 2gsm n TYR 262 Ca 0.09 -1.79 -0.22 0.00 -0.16 0.00 0.00 57.90 55.83 2gsm n TYR 262 Cb 0.23 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 38.93 2gsm n TYR 262 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2gsm n MET 263 N -0.68 0.76 -0.99 -0.72 0.00 -1.22 -4.44 117.12 109.82 2gsm n MET 263 Ca 0.26 -3.14 -0.10 0.00 0.00 0.00 0.00 57.70 54.72 2gsm n MET 263 Cb 0.88 -1.30 0.07 0.00 0.00 0.00 0.00 33.22 32.86 2gsm n MET 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2gsm n PRO 264 N 1.25 -0.15 -4.37 3.17 -0.04 -1.26 -3.68 135.00 129.90 2gsm n PRO 264 Ca 0.21 -0.89 -0.23 0.00 -0.04 0.00 0.00 63.50 62.55 2gsm n PRO 264 Cb 0.56 -0.41 -0.16 0.00 -0.04 0.00 0.00 33.50 33.44 2gsm n PRO 264 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2gsm s ILE 265 N -1.67 0.87 -0.13 0.52 -1.09 0.80 -4.81 121.20 115.68 2gsm s ILE 265 Ca 0.27 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 2gsm s ILE 265 Cb -0.01 -0.83 0.01 0.00 -1.58 0.00 0.00 42.46 40.05 2gsm s ILE 265 CO 0.19 0.30 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.13 2gsm s THR 266 N 0.82 1.77 -0.15 2.92 2.01 -1.26 -1.13 115.64 120.61 2gsm s THR 266 Ca -0.12 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 2gsm s THR 266 Cb -0.15 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 2gsm s THR 266 CO 0.02 0.49 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.61 2gsm s VAL 267 N 1.04 2.83 -0.23 3.82 1.01 -0.19 -0.90 120.40 127.77 2gsm s VAL 267 Ca -0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 2gsm s VAL 267 Cb -0.15 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2gsm s VAL 267 CO -0.04 0.51 0.03 -0.54 0.00 0.00 0.00 175.10 175.06 2gsm s LYS 268 N 0.69 3.57 -0.25 2.72 1.02 0.15 -1.30 119.74 126.35 2gsm s LYS 268 Ca -0.07 -0.52 -0.09 0.00 0.02 0.00 0.00 55.97 55.30 2gsm s LYS 268 Cb -0.16 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2gsm s LYS 268 CO 0.02 -0.16 0.14 0.08 -0.92 0.00 0.00 175.35 174.50 2gsm s VAL 269 N 1.49 5.00 0.34 3.17 1.01 0.12 -1.50 120.40 130.04 2gsm s VAL 269 Ca 0.06 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.13 2gsm s VAL 269 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2gsm s VAL 269 CO 0.01 0.32 0.11 0.68 0.00 0.00 0.00 175.10 176.23 2gsm s VAL 270 N 1.39 0.69 0.85 2.92 -7.23 -0.22 -1.22 120.40 117.58 2gsm s VAL 270 Ca 0.06 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 2gsm s VAL 270 Cb -0.15 -2.54 0.11 0.00 0.56 0.00 0.00 36.38 34.36 2gsm s VAL 270 CO 0.06 0.00 1.14 -0.94 -0.31 0.00 0.00 175.10 175.05 2gsm s SER 271 N -3.49 3.50 0.29 4.85 1.04 -1.26 -0.73 113.70 117.91 2gsm s SER 271 Ca 0.32 2.10 0.04 0.00 0.48 0.00 0.00 55.95 58.88 2gsm s SER 271 Cb 0.05 -2.56 0.67 0.00 0.10 0.00 0.00 66.02 64.29 2gsm s SER 271 CO 0.15 -2.71 1.79 -0.08 0.98 0.00 0.00 173.24 173.37 2gsm h GLU 272 N -1.51 0.79 -0.25 4.02 4.81 -1.94 -0.21 114.58 120.29 2gsm h GLU 272 Ca -0.44 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 58.59 2gsm h GLU 272 Cb 1.26 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2gsm h GLU 272 CO 0.45 0.52 -0.45 0.93 -0.73 0.00 0.00 179.01 179.73 2gsm h GLU 273 N 0.82 0.75 -0.10 1.92 5.08 -2.00 -2.47 114.58 118.58 2gsm h GLU 273 Ca 0.55 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2gsm h GLU 273 Cb 0.77 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2gsm h GLU 273 CO -0.35 1.10 -0.35 0.00 -1.00 0.00 0.00 179.01 178.41 2gsm h ALA 274 N 0.65 1.23 -0.14 3.43 0.00 -1.81 -0.99 119.26 121.63 2gsm h ALA 274 Ca 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2gsm h ALA 274 Cb 1.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2gsm h ALA 274 CO 0.10 0.53 0.01 -0.92 0.00 0.00 0.00 179.25 178.97 2gsm h TYR 275 N 0.17 0.26 -0.79 0.00 3.20 -1.03 -1.66 116.97 117.11 2gsm h TYR 275 Ca 0.02 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.88 2gsm h TYR 275 Cb 0.70 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 2gsm h TYR 275 CO 0.01 0.44 0.51 0.00 -1.64 0.00 0.00 178.16 177.48 2gsm h ALA 276 N 0.79 1.04 -0.79 1.82 0.00 -1.26 -1.09 119.26 119.77 2gsm h ALA 276 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2gsm h ALA 276 Cb 0.33 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2gsm h ALA 276 CO 0.00 0.32 0.48 0.00 0.00 0.00 0.00 179.25 180.05 2gsm h ALA 277 N 1.33 1.07 -0.38 0.00 0.00 -1.03 0.50 119.26 120.76 2gsm h ALA 277 Ca 0.32 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2gsm h ALA 277 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2gsm h ALA 277 CO -0.11 0.21 0.10 2.35 0.00 0.00 0.00 179.25 181.80 2gsm h TRP 278 N 0.88 0.63 -0.38 0.00 7.01 -0.94 -1.38 115.95 121.77 2gsm h TRP 278 Ca 0.34 -0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.31 2gsm h TRP 278 Cb 0.15 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.00 2gsm h TRP 278 CO -0.05 0.61 0.15 -0.07 -2.79 0.00 0.00 178.44 176.29 2gsm h LEU 279 N 0.46 0.17 -0.82 0.65 3.38 -0.68 -2.68 115.31 115.80 2gsm h LEU 279 Ca 0.12 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2gsm h LEU 279 Cb 0.29 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2gsm h LEU 279 CO -0.00 0.14 0.15 -0.08 0.09 0.00 0.00 178.44 178.74 2gsm h GLU 280 N 0.31 1.04 -0.74 1.13 4.57 -0.66 -1.32 114.58 118.91 2gsm h GLU 280 Ca 0.17 -0.24 0.19 0.00 -1.18 0.00 0.00 59.36 58.30 2gsm h GLU 280 Cb 0.14 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 2gsm h GLU 280 CO -0.16 0.92 0.52 1.96 -1.18 0.00 0.00 179.01 181.07 2gsm h GLN 281 N 0.99 0.12 -0.00 1.92 4.20 -0.93 0.22 115.11 121.62 2gsm h GLN 281 Ca 0.21 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2gsm h GLN 281 Cb 0.36 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2gsm h GLN 281 CO 0.00 0.08 -0.37 0.72 -0.67 0.00 0.00 178.83 178.60 2gsm n HIS 282 N -4.38 0.00 -2.47 2.96 8.25 -0.53 -4.91 115.22 114.14 2gsm n HIS 282 Ca 0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.18 2gsm n HIS 282 Cb 0.72 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 2gsm n HIS 282 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2gsm s HIS 283 N -2.82 3.05 -0.34 4.41 5.04 0.06 -5.01 115.29 119.69 2gsm s HIS 283 Ca 0.16 1.15 -0.20 0.00 -1.54 0.00 0.00 55.06 54.64 2gsm s HIS 283 Cb 0.18 -3.44 -0.00 0.00 0.04 0.00 0.00 32.58 29.36 2gsm s HIS 283 CO 0.62 -1.38 0.61 -1.01 -2.34 0.00 0.00 174.74 171.24 2gsm s HIS 284 N 2.96 3.18 -2.56 3.88 0.09 -1.26 -5.04 115.29 116.53 2gsm s HIS 284 Ca 0.54 0.41 0.27 0.00 -0.00 0.00 0.00 55.06 56.28 2gsm s HIS 284 Cb -0.22 -3.05 0.94 0.00 -0.00 0.00 0.00 32.58 30.25 2gsm s HIS 284 CO 0.16 -0.55 1.68 0.72 -0.00 0.00 0.00 174.74 176.75