#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abq s LEU 45 N 0.00 0.91 -0.28 0.00 2.96 -1.26 -5.12 118.68 115.90 3abq s LEU 45 Ca 0.00 -0.01 -0.23 0.00 -0.22 0.00 0.00 54.13 53.67 3abq s LEU 45 Cb 0.00 -0.22 -0.00 0.00 0.50 0.00 0.00 46.19 46.46 3abq s LEU 45 CO 0.00 -0.14 0.78 -0.62 -1.32 0.00 0.00 176.35 175.05 3abq s ASP 46 N 1.34 6.71 0.34 3.68 3.68 -1.26 -4.93 116.67 126.23 3abq s ASP 46 Ca -0.05 0.80 0.24 0.00 2.13 0.00 0.00 52.55 55.66 3abq s ASP 46 Cb -0.13 -2.41 1.25 0.00 -1.45 0.00 0.00 42.92 40.18 3abq s ASP 46 CO -0.02 -0.54 1.73 -0.07 0.13 0.00 0.00 175.17 176.39 3abq h LEU 47 N 9.28 0.00 -0.82 -1.34 3.38 -1.99 0.63 115.31 124.44 3abq h LEU 47 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3abq h LEU 47 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3abq h LEU 47 CO 0.86 0.00 -0.24 0.61 0.09 0.00 0.00 178.44 179.76 3abq n GLY 48 N -1.08 -0.21 3.81 0.83 0.00 -1.26 -4.70 105.19 102.59 3abq n GLY 48 Ca -0.01 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 3abq n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3abq s SER 49 N -2.36 4.03 0.30 1.61 1.04 0.21 -4.93 113.70 113.60 3abq s SER 49 Ca 0.26 1.08 0.05 0.00 0.48 0.00 0.00 55.95 57.82 3abq s SER 49 Cb 0.19 -1.72 0.49 0.00 0.10 0.00 0.00 66.02 65.08 3abq s SER 49 CO 0.48 -2.24 1.75 0.00 0.98 0.00 0.00 173.24 174.21 3abq h ALA 50 N -1.28 1.17 -0.52 5.32 0.00 -1.94 -2.63 119.26 119.39 3abq h ALA 50 Ca -0.49 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 3abq h ALA 50 Cb 1.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3abq h ALA 50 CO 0.61 0.53 0.14 1.49 0.00 0.00 0.00 179.25 182.03 3abq h GLU 51 N 0.34 0.82 -0.90 0.00 4.81 -1.93 -0.91 114.58 116.82 3abq h GLU 51 Ca 0.05 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 3abq h GLU 51 Cb 0.65 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 3abq h GLU 51 CO 0.05 0.77 0.49 0.00 -0.73 0.00 0.00 179.01 179.59 3abq h ALA 52 N 1.01 1.15 0.00 2.92 0.00 -1.77 -2.20 119.26 120.37 3abq h ALA 52 Ca 0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3abq h ALA 52 Cb 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3abq h ALA 52 CO -0.00 0.65 -0.34 0.87 0.00 0.00 0.00 179.25 180.44 3abq h LYS 53 N 1.25 0.00 -0.02 0.00 1.57 -1.09 -2.98 116.57 115.30 3abq h LYS 53 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3abq h LYS 53 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3abq h LYS 53 CO -0.05 0.34 -0.24 0.00 -0.57 0.00 0.00 179.45 178.93 3abq n ALA 54 N -2.34 3.04 -1.67 3.86 0.00 -0.38 -4.96 120.51 118.06 3abq n ALA 54 Ca -0.01 -0.54 -0.45 0.00 0.00 0.00 0.00 53.44 52.44 3abq n ALA 54 Cb 0.44 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 3abq n ALA 54 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3abq n TRP 55 N 0.04 2.43 -3.26 0.00 -0.00 -0.86 -4.98 117.44 110.81 3abq n TRP 55 Ca 0.13 -0.14 -0.38 0.00 -0.00 0.00 0.00 57.50 57.10 3abq n TRP 55 Cb 0.43 -2.72 -0.06 0.00 -0.00 0.00 0.00 31.31 28.97 3abq n TRP 55 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3abq s ILE 56 N 3.88 5.15 -0.31 5.87 -1.09 -1.26 -4.67 121.20 128.77 3abq s ILE 56 Ca 0.89 1.06 0.06 0.00 -2.23 0.00 0.00 60.65 60.43 3abq s ILE 56 Cb -0.57 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.39 3abq s ILE 56 CO 0.46 0.32 0.28 0.61 -1.23 0.00 0.00 174.94 175.38 3abq n GLY 57 N 3.17 0.34 3.70 6.18 0.00 0.62 -4.98 105.19 114.23 3abq n GLY 57 Ca -0.06 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3abq n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3abq n VAL 58 N -0.98 0.18 0.00 1.61 0.31 -1.23 -4.32 118.33 113.90 3abq n VAL 58 Ca 0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3abq n VAL 58 Cb 0.09 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 3abq n VAL 58 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3abq n GLU 59 N 3.46 0.00 -3.72 5.55 -0.58 -1.26 -4.47 120.64 119.62 3abq n GLU 59 Ca 0.15 0.13 -0.36 0.00 -0.42 0.00 0.00 57.16 56.67 3abq n GLU 59 Cb 0.33 -0.94 -0.09 0.00 -0.57 0.00 0.00 31.44 30.17 3abq n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3abq s ASN 60 N -1.82 5.35 0.25 1.62 0.01 -1.26 -5.08 114.94 114.01 3abq s ASN 60 Ca 0.00 -3.16 -0.30 0.00 -0.71 0.00 0.00 52.86 48.70 3abq s ASN 60 Cb 0.00 -1.84 -0.10 0.00 0.41 0.00 0.00 41.25 39.72 3abq s ASN 60 CO 0.00 -0.29 1.35 -2.16 -1.51 0.00 0.00 177.10 174.49 3abq s PRO 61 N -0.51 4.34 0.32 -0.60 0.04 -1.26 -4.92 135.00 132.41 3abq s PRO 61 Ca 0.20 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3abq s PRO 61 Cb -0.16 -3.13 0.52 0.00 0.04 0.00 0.00 34.50 31.76 3abq s PRO 61 CO -0.06 -0.29 1.92 1.25 0.04 0.00 0.00 177.00 179.87 3abq h HIS 62 N 4.70 0.83 -1.48 0.56 2.76 -1.99 -3.39 115.15 117.14 3abq h HIS 62 Ca -0.46 -0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 57.48 3abq h HIS 62 Cb 1.22 -0.26 -0.25 0.00 1.55 0.00 0.00 27.41 29.66 3abq h HIS 62 CO 0.60 0.61 -0.56 0.50 -1.30 0.00 0.00 177.93 177.77 3abq s ARG 63 N -5.50 0.70 0.49 5.26 3.52 -1.26 -5.04 118.95 117.12 3abq s ARG 63 Ca -0.10 -0.46 0.28 0.00 -0.13 0.00 0.00 55.73 55.32 3abq s ARG 63 Cb 0.17 -0.29 1.04 0.00 -1.56 0.00 0.00 34.95 34.30 3abq s ARG 63 CO 0.78 -1.17 1.87 0.00 -0.81 0.00 0.00 175.30 175.96 3abq h ALA 64 N 7.16 1.00 -0.16 6.12 0.00 -2.00 -2.54 119.26 128.85 3abq h ALA 64 Ca 0.04 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3abq h ALA 64 Cb 1.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3abq h ALA 64 CO 0.16 0.13 -0.66 0.38 0.00 0.00 0.00 179.25 179.26 3abq h ASP 65 N 0.00 0.70 -0.75 0.00 -0.00 -1.98 -2.83 116.42 111.57 3abq h ASP 65 Ca -0.00 -0.42 0.05 0.00 -0.00 0.00 0.00 57.03 56.66 3abq h ASP 65 Cb 0.68 -0.21 -0.05 0.00 -0.00 0.00 0.00 39.33 39.75 3abq h ASP 65 CO 0.01 1.18 0.45 0.58 -0.00 0.00 0.00 179.24 181.46 3abq h VAL 66 N 0.44 1.02 -0.29 4.15 2.07 -1.89 -2.43 116.25 119.32 3abq h VAL 66 Ca -0.02 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3abq h VAL 66 Cb 1.25 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3abq h VAL 66 CO 0.13 0.15 0.07 -0.07 0.02 0.00 0.00 177.57 177.87 3abq h LEU 67 N 0.83 0.03 -0.84 2.57 3.38 -1.35 0.27 115.31 120.21 3abq h LEU 67 Ca 0.32 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 3abq h LEU 67 Cb 0.15 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3abq h LEU 67 CO -0.16 0.05 0.43 0.71 0.09 0.00 0.00 178.44 179.56 3abq h THR 68 N 0.18 1.25 -0.59 0.22 1.35 -1.39 0.15 112.91 114.08 3abq h THR 68 Ca 0.13 -0.67 -0.06 0.00 -0.55 0.00 0.00 66.41 65.27 3abq h THR 68 Cb 0.13 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 66.68 3abq h THR 68 CO -0.17 0.29 0.14 -0.08 -0.25 0.00 0.00 175.52 175.46 3abq h GLU 69 N 1.18 0.92 -0.35 4.72 4.81 -0.91 -0.21 114.58 124.74 3abq h GLU 69 Ca 0.29 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3abq h GLU 69 Cb 0.08 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3abq h GLU 69 CO -0.04 0.82 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.99 3abq h LEU 70 N 0.88 0.61 -1.07 1.64 4.07 0.12 -2.84 115.31 118.71 3abq h LEU 70 Ca 0.19 -0.31 -0.06 0.00 0.08 0.00 0.00 57.88 57.78 3abq h LEU 70 Cb 0.32 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 3abq h LEU 70 CO -0.00 0.77 0.00 -0.09 -1.08 0.00 0.00 178.44 178.04 3abq h ARG 71 N 0.43 0.66 0.00 1.13 9.65 -0.40 -2.35 114.38 123.51 3abq h ARG 71 Ca 0.10 -0.16 -0.06 0.00 -1.10 0.00 0.00 59.98 58.76 3abq h ARG 71 Cb 0.46 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 3abq h ARG 71 CO 0.02 0.68 -0.28 0.00 2.80 0.00 0.00 179.97 183.19 3abq h ARG 72 N 0.63 0.00 -0.00 0.20 3.08 -1.01 -3.27 114.38 114.00 3abq h ARG 72 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3abq h ARG 72 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3abq h ARG 72 CO 0.01 0.28 -0.19 -1.13 -1.07 0.00 0.00 179.97 177.88 3abq n SER 73 N -3.60 0.61 -3.80 7.04 3.41 -0.88 -4.88 113.62 111.51 3abq n SER 73 Ca -0.01 -0.57 -0.11 0.00 -0.26 0.00 0.00 58.87 57.92 3abq n SER 73 Cb 0.41 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 3abq n SER 73 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3abq s THR 74 N -2.56 0.10 -1.48 6.66 -1.32 -1.23 -5.01 115.64 110.80 3abq s THR 74 Ca 0.25 -0.84 0.24 0.00 -1.21 0.00 0.00 61.69 60.13 3abq s THR 74 Cb 0.19 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.26 3abq s THR 74 CO 0.51 -0.47 1.34 0.52 -2.21 0.00 0.00 174.62 174.31 3abq n VAL 75 N 0.49 0.00 -2.04 5.08 0.31 -1.26 -4.91 118.33 116.01 3abq n VAL 75 Ca -0.18 -0.10 -0.36 0.00 -0.01 0.00 0.00 64.34 63.69 3abq n VAL 75 Cb 0.60 0.60 0.03 0.00 -0.91 0.00 0.00 33.84 34.16 3abq n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3abq s ALA 76 N -2.71 2.61 -1.50 3.52 0.00 -1.26 -4.89 121.76 117.53 3abq s ALA 76 Ca 0.17 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 3abq s ALA 76 Cb 0.18 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3abq s ALA 76 CO 0.63 -1.10 2.54 0.54 0.00 0.00 0.00 175.76 178.37 3abq n ARG 77 N -1.44 3.54 -2.37 0.00 1.74 -1.26 -4.93 116.66 111.94 3abq n ARG 77 Ca 0.13 -2.64 -0.26 0.00 -0.77 0.00 0.00 57.85 54.31 3abq n ARG 77 Cb 0.49 -2.95 0.04 0.00 -1.02 0.00 0.00 32.46 29.02 3abq n ARG 77 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3abq s VAL 78 N 1.87 3.45 -1.52 1.55 -7.23 -1.26 -4.51 120.40 112.76 3abq s VAL 78 Ca 0.57 -0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 3abq s VAL 78 Cb 0.16 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.71 3abq s VAL 78 CO -0.07 -0.40 0.00 0.00 -0.31 0.00 0.00 175.10 174.33 3abq n THR 80 N -3.57 0.00 -4.29 0.00 -2.24 -1.26 -0.27 114.28 102.64 3abq n THR 80 Ca -0.19 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3abq n THR 80 Cb 0.62 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 3abq n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3abq n GLY 81 N 1.37 -0.42 3.65 3.38 0.00 -1.26 -3.99 105.19 107.92 3abq n GLY 81 Ca 0.11 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3abq n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3abq s ARG 82 N 0.00 1.45 -0.25 1.61 1.70 -1.26 -4.42 118.95 117.79 3abq s ARG 82 Ca 0.00 -0.70 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 3abq s ARG 82 Cb 0.00 0.56 0.07 0.00 -0.57 0.00 0.00 34.95 35.01 3abq s ARG 82 CO 0.00 -0.65 -0.02 0.00 -1.08 0.00 0.00 175.30 173.55 3abq s ALA 83 N -3.72 1.85 0.00 7.88 0.00 0.86 -4.70 121.76 123.93 3abq s ALA 83 Ca 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3abq s ALA 83 Cb -0.03 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.63 3abq s ALA 83 CO -0.03 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 174.86 3abq n GLY 84 N 4.71 3.56 0.72 0.00 0.00 -1.26 -1.44 105.19 111.49 3abq n GLY 84 Ca -0.09 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3abq n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3abq n PRO 85 N 14.00 1.97 -3.80 1.61 -0.04 -1.26 -4.97 135.00 142.51 3abq n PRO 85 Ca 0.00 -1.44 -0.22 0.00 -0.04 0.00 0.00 63.50 61.80 3abq n PRO 85 Cb 0.00 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 3abq n PRO 85 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3abq s ARG 86 N -1.84 3.45 0.67 0.54 1.81 -0.52 -5.08 118.95 117.98 3abq s ARG 86 Ca 0.34 -0.63 -0.16 0.00 -1.72 0.00 0.00 55.73 53.56 3abq s ARG 86 Cb 0.20 -2.83 0.01 0.00 -0.45 0.00 0.00 34.95 31.88 3abq s ARG 86 CO 0.30 0.36 1.15 -2.14 -0.68 0.00 0.00 175.30 174.29 3abq s PRO 87 N -4.04 2.62 0.69 3.54 0.02 -1.26 -0.09 135.00 136.47 3abq s PRO 87 Ca 0.36 1.57 -0.14 0.00 0.02 0.00 0.00 61.00 62.81 3abq s PRO 87 Cb -0.09 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3abq s PRO 87 CO 0.31 -1.43 1.11 1.03 -0.33 0.00 0.00 177.00 177.69 3abq s ARG 88 N -3.91 2.63 0.11 5.54 0.52 -1.26 -4.31 118.95 118.27 3abq s ARG 88 Ca 0.71 1.34 -0.20 0.00 -0.52 0.00 0.00 55.73 57.05 3abq s ARG 88 Cb -0.24 -1.93 -0.08 0.00 0.52 0.00 0.00 34.95 33.21 3abq s ARG 88 CO 0.41 -1.37 1.76 1.15 0.02 0.00 0.00 175.30 177.27 3abq h THR 89 N -0.30 1.05 -0.98 0.02 2.02 -1.95 -1.70 112.91 111.08 3abq h THR 89 Ca -0.46 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 66.62 3abq h THR 89 Cb 1.24 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.43 3abq h THR 89 CO 0.53 0.05 0.63 -0.61 0.37 0.00 0.00 175.52 176.49 3abq h GLN 90 N 0.21 1.30 -0.59 6.66 4.15 -1.97 0.30 115.11 125.17 3abq h GLN 90 Ca 0.06 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3abq h GLN 90 Cb -0.01 -0.29 -0.03 0.00 0.21 0.00 0.00 27.48 27.36 3abq h GLN 90 CO -0.01 0.87 0.24 0.00 -1.93 0.00 0.00 178.83 178.00 3abq h ALA 91 N 1.37 0.76 -0.51 3.38 0.00 -1.83 -1.46 119.26 120.96 3abq h ALA 91 Ca 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3abq h ALA 91 Cb -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3abq h ALA 91 CO -0.07 0.37 0.09 1.25 0.00 0.00 0.00 179.25 180.89 3abq h LEU 92 N 0.81 0.81 -0.70 0.00 5.85 -0.68 -1.88 115.31 119.51 3abq h LEU 92 Ca 0.20 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3abq h LEU 92 Cb 0.20 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3abq h LEU 92 CO -0.02 0.86 0.35 -0.07 -0.34 0.00 0.00 178.44 179.22 3abq h LEU 93 N 0.73 0.90 -0.53 2.25 3.38 -0.73 -1.02 115.31 120.29 3abq h LEU 93 Ca 0.16 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3abq h LEU 93 Cb 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3abq h LEU 93 CO 0.01 0.77 -0.55 -0.09 0.09 0.00 0.00 178.44 178.66 3abq h ARG 94 N 0.97 0.52 -0.38 1.13 2.43 -1.22 -0.59 114.38 117.25 3abq h ARG 94 Ca 0.24 -0.33 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3abq h ARG 94 Cb 0.09 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 3abq h ARG 94 CO -0.03 0.94 0.17 0.35 -1.51 0.00 0.00 179.97 179.88 3abq h PHE 95 N 0.40 0.30 -0.44 2.20 3.04 -1.10 -0.12 116.94 121.22 3abq h PHE 95 Ca 0.01 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.87 3abq h PHE 95 Cb 1.09 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.51 3abq h PHE 95 CO 0.04 0.14 -0.15 -0.07 -2.02 0.00 0.00 178.31 176.26 3abq h LEU 96 N 0.34 0.84 -0.15 0.59 4.07 -0.92 -1.39 115.31 118.68 3abq h LEU 96 Ca 0.17 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3abq h LEU 96 Cb 0.11 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 3abq h LEU 96 CO -0.14 0.99 0.04 0.00 -1.08 0.00 0.00 178.44 178.25 3abq h ALA 97 N 1.08 0.19 -0.67 1.53 0.00 -0.89 -2.08 119.26 118.42 3abq h ALA 97 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3abq h ALA 97 Cb 0.66 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3abq h ALA 97 CO 0.05 -0.18 0.37 -0.44 0.00 0.00 0.00 179.25 179.05 3abq h ASP 98 N 0.05 0.83 -0.45 0.00 3.32 -0.90 -2.57 116.42 116.70 3abq h ASP 98 Ca 0.05 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3abq h ASP 98 Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3abq h ASP 98 CO -0.00 0.67 -0.03 -0.74 -1.72 0.00 0.00 179.24 177.41 3abq h HIS 99 N 0.93 0.90 -0.88 4.55 2.76 -1.10 1.00 115.15 123.31 3abq h HIS 99 Ca 0.24 -0.17 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3abq h HIS 99 Cb 0.02 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 3abq h HIS 99 CO 0.01 0.88 0.58 0.66 -1.30 0.00 0.00 177.93 178.76 3abq h SER 100 N 0.66 0.94 0.67 3.26 4.64 -1.12 -0.18 113.55 122.42 3abq h SER 100 Ca 0.12 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.22 3abq h SER 100 Cb 0.55 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3abq h SER 100 CO 0.03 0.64 -0.98 -0.09 -0.87 0.00 0.00 176.83 175.56 3abq h ARG 101 N 1.09 0.18 -0.45 4.77 2.43 -1.26 -3.25 114.38 117.89 3abq h ARG 101 Ca 0.36 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3abq h ARG 101 Cb 0.05 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3abq h ARG 101 CO -0.11 1.02 0.19 1.03 -1.51 0.00 0.00 179.97 180.59 3abq h SER 102 N 0.08 0.62 -0.71 -3.80 0.87 -0.14 -2.81 113.55 107.67 3abq h SER 102 Ca -0.06 -0.16 0.09 0.00 -1.23 0.00 0.00 61.79 60.43 3abq h SER 102 Cb 1.66 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 63.41 3abq h SER 102 CO 0.15 0.61 0.47 0.11 -0.53 0.00 0.00 176.83 177.64 3abq h LYS 103 N 0.59 0.59 -0.04 2.24 1.79 -1.10 -1.69 116.57 118.94 3abq h LYS 103 Ca 0.15 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.47 3abq h LYS 103 Cb 0.18 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3abq h LYS 103 CO -0.01 0.39 -0.53 -0.44 -1.08 0.00 0.00 179.45 177.78 3abq h ASP 104 N 0.61 0.13 0.99 0.86 3.32 -1.53 -3.13 116.42 117.65 3abq h ASP 104 Ca 0.32 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 3abq h ASP 104 Cb 0.46 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3abq h ASP 104 CO -0.11 0.63 -0.28 0.71 -1.72 0.00 0.00 179.24 178.47 3abq h THR 105 N 0.09 0.65 0.00 0.35 1.35 -1.19 -2.29 112.91 111.87 3abq h THR 105 Ca -0.00 -1.32 -0.10 0.00 -0.55 0.00 0.00 66.41 64.44 3abq h THR 105 Cb 0.96 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 3abq h THR 105 CO 0.07 0.28 -0.45 -0.37 -0.25 0.00 0.00 175.52 174.80 3abq h VAL 106 N 0.00 1.05 0.00 6.82 -1.51 -1.49 -3.31 116.25 117.82 3abq h VAL 106 Ca -0.00 -1.73 0.00 0.00 -1.23 0.00 0.00 66.70 63.74 3abq h VAL 106 Cb 0.85 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.03 3abq h VAL 106 CO 0.04 0.45 -1.58 0.18 -1.23 0.00 0.00 177.57 175.42 3abq n LEU 107 N -3.60 0.36 -4.77 4.19 4.77 -1.00 -4.91 117.00 112.04 3abq n LEU 107 Ca -0.00 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.72 3abq n LEU 107 Cb 0.55 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 3abq n LEU 107 CO 0.38 -0.08 0.78 -1.59 -1.33 0.00 0.00 177.39 175.56 3abq s LYS 108 N -3.45 4.39 -0.02 3.23 -2.85 -0.90 -5.01 119.74 115.13 3abq s LYS 108 Ca -0.05 1.72 0.06 0.00 -1.00 0.00 0.00 55.97 56.70 3abq s LYS 108 Cb 0.12 -2.89 -0.02 0.00 -2.06 0.00 0.00 37.83 32.98 3abq s LYS 108 CO 0.86 0.01 -0.20 -1.21 0.10 0.00 0.00 175.35 174.91 3abq s GLU 109 N -1.93 1.65 0.18 1.78 2.02 -1.26 -4.46 118.70 116.67 3abq s GLU 109 Ca 0.51 -0.73 -0.31 0.00 0.02 0.00 0.00 54.97 54.47 3abq s GLU 109 Cb -0.29 -1.59 -0.09 0.00 0.10 0.00 0.00 34.13 32.26 3abq s GLU 109 CO 0.36 0.44 1.38 0.54 0.02 0.00 0.00 175.26 178.00 3abq s VAL 110 N -0.48 3.07 0.47 2.63 0.11 -1.26 -4.97 120.40 119.97 3abq s VAL 110 Ca 0.08 0.84 -0.23 0.00 -2.93 0.00 0.00 61.98 59.74 3abq s VAL 110 Cb -0.08 -3.54 -0.09 0.00 -1.53 0.00 0.00 36.38 31.14 3abq s VAL 110 CO -0.01 0.10 1.02 -2.65 -3.33 0.00 0.00 175.10 170.24 3abq n PRO 111 N 3.06 1.31 0.14 1.54 -0.02 -1.26 -4.87 135.00 134.90 3abq n PRO 111 Ca 0.08 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 3abq n PRO 111 Cb 0.42 -2.11 0.65 0.00 -0.02 0.00 0.00 33.50 32.44 3abq n PRO 111 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3abq h GLU 112 N 1.34 0.02 -0.23 -0.52 3.07 -2.01 -2.45 114.58 113.80 3abq h GLU 112 Ca -0.46 -0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.28 3abq h GLU 112 Cb 1.34 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.23 3abq h GLU 112 CO 0.56 0.01 -0.36 0.93 -1.40 0.00 0.00 179.01 178.75 3abq h GLU 113 N 0.02 0.51 -0.22 2.33 4.39 -1.99 -2.54 114.58 117.08 3abq h GLU 113 Ca 0.11 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 3abq h GLU 113 Cb 0.44 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3abq h GLU 113 CO -0.00 0.80 -0.16 2.35 -1.16 0.00 0.00 179.01 180.83 3abq h TRP 114 N 0.43 0.58 -0.73 4.33 7.01 -1.80 0.81 115.95 126.59 3abq h TRP 114 Ca 0.05 -0.16 0.07 0.00 2.11 0.00 0.00 58.89 60.95 3abq h TRP 114 Cb 0.83 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 27.70 3abq h TRP 114 CO 0.03 0.81 0.41 0.28 -2.79 0.00 0.00 178.44 177.18 3abq h VAL 115 N 0.19 0.95 -0.45 2.65 2.07 -1.52 -1.44 116.25 118.70 3abq h VAL 115 Ca 0.04 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 3abq h VAL 115 Cb 0.69 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3abq h VAL 115 CO 0.04 0.13 -0.09 0.50 0.02 0.00 0.00 177.57 178.18 3abq h LYS 116 N 0.74 0.79 0.00 1.57 3.64 -1.27 -2.23 116.57 119.80 3abq h LYS 116 Ca 0.33 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3abq h LYS 116 Cb 0.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3abq h LYS 116 CO -0.20 0.86 -0.19 0.00 -2.27 0.00 0.00 179.45 177.64 3abq h ALA 117 N 1.18 1.07 0.00 5.00 0.00 -0.03 -0.69 119.26 125.80 3abq h ALA 117 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3abq h ALA 117 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3abq h ALA 117 CO 0.03 0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.57 3abq n GLN 118 N -3.43 0.65 -1.84 0.00 1.13 -0.62 -4.89 117.38 108.37 3abq n GLN 118 Ca -0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3abq n GLN 118 Cb 0.38 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.22 3abq n GLN 118 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3abq n GLY 119 N 1.15 0.32 3.77 1.08 0.00 -0.26 -5.03 105.19 106.22 3abq n GLY 119 Ca 0.18 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3abq n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3abq s LEU 120 N -1.41 4.21 0.06 0.99 1.43 -0.86 -5.04 118.68 118.07 3abq s LEU 120 Ca 0.00 0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 3abq s LEU 120 Cb 0.00 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 3abq s LEU 120 CO 0.00 0.25 1.81 -0.22 0.23 0.00 0.00 176.35 178.42 3abq s LEU 121 N -0.09 4.39 -0.28 1.79 0.20 -1.26 -4.34 118.68 119.09 3abq s LEU 121 Ca 0.10 2.59 -0.14 0.00 0.69 0.00 0.00 54.13 57.37 3abq s LEU 121 Cb -0.11 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.06 3abq s LEU 121 CO 0.00 -0.98 0.33 -0.70 -0.29 0.00 0.00 176.35 174.70 3abq s GLU 122 N 3.46 3.96 0.38 1.98 2.12 -1.26 0.42 118.70 129.75 3abq s GLU 122 Ca 0.81 -0.09 0.08 0.00 0.36 0.00 0.00 54.97 56.12 3abq s GLU 122 Cb -0.42 -3.67 -0.07 0.00 0.26 0.00 0.00 34.13 30.23 3abq s GLU 122 CO 0.36 -0.28 -0.02 0.08 -0.54 0.00 0.00 175.26 174.87 3abq s VAL 123 N 1.99 2.16 0.19 3.70 1.01 0.16 -4.98 120.40 124.63 3abq s VAL 123 Ca 0.13 -2.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.04 3abq s VAL 123 Cb -0.16 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3abq s VAL 123 CO 0.10 -0.09 0.12 0.00 0.00 0.00 0.00 175.10 175.24 3abq s ARG 124 N -3.69 1.16 0.00 2.72 1.70 -1.26 0.22 118.95 119.79 3abq s ARG 124 Ca 0.35 -1.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.02 3abq s ARG 124 Cb 0.06 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 3abq s ARG 124 CO 0.18 -0.37 0.00 -1.13 -1.08 0.00 0.00 175.30 172.90 3abq n SER 125 N -0.24 0.00 0.19 -2.89 3.41 -0.74 -3.50 113.62 109.85 3abq n SER 125 Ca 0.01 -0.53 0.14 0.00 -0.26 0.00 0.00 58.87 58.23 3abq n SER 125 Cb 0.66 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 65.16 3abq n SER 125 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3abq h GLU 126 N 0.00 0.00 -6.73 4.33 5.08 -0.58 -3.31 114.58 113.37 3abq h GLU 126 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3abq h GLU 126 Cb 0.00 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.29 3abq h GLU 126 CO 0.00 0.00 0.64 0.42 -1.00 0.00 0.00 179.01 179.07 3abq s ILE 127 N -3.44 3.09 -0.15 3.13 -1.09 -1.25 -4.95 121.20 116.54 3abq s ILE 127 Ca 0.03 0.95 0.18 0.00 -2.23 0.00 0.00 60.65 59.59 3abq s ILE 127 Cb 0.09 -3.61 -0.26 0.00 -1.58 0.00 0.00 42.46 37.10 3abq s ILE 127 CO 0.46 0.17 0.24 -1.54 -1.23 0.00 0.00 174.94 173.04 3abq n SER 128 N 2.13 0.11 -3.79 3.58 3.41 -1.26 -4.96 113.62 112.83 3abq n SER 128 Ca 0.04 0.05 -0.11 0.00 -0.26 0.00 0.00 58.87 58.59 3abq n SER 128 Cb 0.43 1.10 -0.06 0.00 -0.26 0.00 0.00 64.21 65.42 3abq n SER 128 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3abq s ASP 129 N -5.33 0.25 0.21 4.04 1.47 -1.26 -5.07 116.67 110.98 3abq s ASP 129 Ca -0.09 -1.18 -0.06 0.00 1.18 0.00 0.00 52.55 52.40 3abq s ASP 129 Cb 0.08 0.58 0.16 0.00 -0.34 0.00 0.00 42.92 43.40 3abq s ASP 129 CO 0.85 -1.14 1.65 0.11 0.68 0.00 0.00 175.17 177.32 3abq h LYS 130 N 2.27 0.90 -0.38 2.11 1.79 -1.96 -2.32 116.57 118.98 3abq h LYS 130 Ca -0.29 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 57.86 3abq h LYS 130 Cb 1.25 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 3abq h LYS 130 CO 0.40 0.96 0.21 -0.91 -1.08 0.00 0.00 179.45 179.02 3abq h ASN 131 N 0.81 0.48 0.08 0.86 -0.26 -1.97 -2.74 115.58 112.84 3abq h ASN 131 Ca 0.13 -0.09 -0.11 0.00 -0.56 0.00 0.00 56.30 55.67 3abq h ASN 131 Cb 0.63 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 3abq h ASN 131 CO 0.04 0.43 -0.36 0.25 -1.06 0.00 0.00 177.43 176.74 3abq h LEU 132 N 0.48 0.39 -0.84 1.61 5.85 -1.97 -2.99 115.31 117.84 3abq h LEU 132 Ca 0.13 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.84 3abq h LEU 132 Cb 0.06 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.89 3abq h LEU 132 CO -0.02 0.72 0.44 0.22 -0.34 0.00 0.00 178.44 179.46 3abq h TYR 133 N 0.32 0.78 0.00 1.25 5.03 -1.11 -0.38 116.97 122.86 3abq h TYR 133 Ca 0.04 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.31 3abq h TYR 133 Cb 0.78 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 3abq h TYR 133 CO 0.02 0.22 -0.32 -0.07 -1.32 0.00 0.00 178.16 176.68 3abq h LEU 134 N 0.66 0.00 0.00 2.82 3.38 -1.38 -3.23 115.31 117.56 3abq h LEU 134 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3abq h LEU 134 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3abq h LEU 134 CO -0.34 0.32 -1.00 0.35 0.09 0.00 0.00 178.44 177.87 3abq n THR 135 N -3.48 0.00 -3.78 0.22 -2.24 -0.96 -4.77 114.28 99.28 3abq n THR 135 Ca -0.00 -0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 3abq n THR 135 Cb 0.49 0.69 -0.11 0.00 -2.10 0.00 0.00 70.33 69.29 3abq n THR 135 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3abq n ARG 136 N -1.56 1.68 0.11 -0.78 5.12 -0.19 -4.91 116.66 116.13 3abq n ARG 136 Ca 0.01 -4.32 0.02 0.00 -1.93 0.00 0.00 57.85 51.62 3abq n ARG 136 Cb 0.26 -2.19 0.36 0.00 -1.16 0.00 0.00 32.46 29.73 3abq n ARG 136 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3abq h PRO 137 N 5.27 0.25 0.00 5.56 0.13 -1.85 -2.85 132.00 138.50 3abq h PRO 137 Ca 0.17 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 3abq h PRO 137 Cb 0.76 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3abq h PRO 137 CO 0.68 0.41 -0.23 0.38 -0.23 0.00 0.00 178.00 179.01 3abq h ASP 138 N 0.23 0.00 1.20 1.44 -0.00 -1.95 -1.70 116.42 115.64 3abq h ASP 138 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.03 56.93 3abq h ASP 138 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.74 3abq h ASP 138 CO 0.03 0.23 -0.83 0.24 -0.00 0.00 0.00 179.24 178.90 3abq h MET 139 N 0.00 0.00 0.00 4.15 2.86 -1.88 -3.24 114.93 116.82 3abq h MET 139 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3abq h MET 139 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3abq h MET 139 CO 0.03 0.56 0.00 0.41 1.06 0.00 0.00 176.91 178.97 3abq n GLY 140 N 1.30 -1.51 0.60 8.32 0.00 -0.72 -2.45 105.19 110.73 3abq n GLY 140 Ca -0.01 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 3abq n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3abq n ARG 141 N -2.10 1.82 -4.56 1.61 1.74 -0.75 -0.58 116.66 113.84 3abq n ARG 141 Ca 0.05 -1.19 -0.23 0.00 -0.77 0.00 0.00 57.85 55.70 3abq n ARG 141 Cb 0.34 -1.47 -0.16 0.00 -1.02 0.00 0.00 32.46 30.16 3abq n ARG 141 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3abq s ARG 142 N -1.95 1.33 0.37 5.56 0.52 -1.12 -3.69 118.95 119.97 3abq s ARG 142 Ca 0.36 -0.42 -0.27 0.00 -0.52 0.00 0.00 55.73 54.88 3abq s ARG 142 Cb 0.20 -1.19 -0.09 0.00 0.52 0.00 0.00 34.95 34.40 3abq s ARG 142 CO 0.32 0.14 1.20 -0.51 0.02 0.00 0.00 175.30 176.47 3abq s LEU 143 N 0.21 4.30 0.94 2.53 1.43 -1.26 -0.71 118.68 126.12 3abq s LEU 143 Ca -0.05 2.44 -0.12 0.00 -1.03 0.00 0.00 54.13 55.37 3abq s LEU 143 Cb -0.11 -3.87 0.15 0.00 0.03 0.00 0.00 46.19 42.40 3abq s LEU 143 CO 0.01 -0.59 1.09 0.00 0.23 0.00 0.00 176.35 177.10 3abq h ALA 145 N -1.70 1.46 0.00 0.00 0.00 -1.94 -1.41 119.26 115.68 3abq h ALA 145 Ca -0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 3abq h ALA 145 Cb 1.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3abq h ALA 145 CO 0.56 0.46 -0.31 0.93 0.00 0.00 0.00 179.25 180.89 3abq h GLU 146 N 1.07 0.00 -0.33 0.00 5.08 -1.96 -3.23 114.58 115.21 3abq h GLU 146 Ca 0.33 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.59 3abq h GLU 146 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3abq h GLU 146 CO -0.10 0.31 -0.19 0.00 -1.00 0.00 0.00 179.01 178.03 3abq h ALA 147 N 1.69 0.46 -0.24 3.43 0.00 -1.55 -2.27 119.26 120.78 3abq h ALA 147 Ca -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.57 3abq h ALA 147 Cb 1.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3abq h ALA 147 CO 0.04 0.40 0.11 0.28 0.00 0.00 0.00 179.25 180.08 3abq h VAL 148 N 0.47 0.98 -0.52 0.00 2.07 -1.52 -2.33 116.25 115.40 3abq h VAL 148 Ca 0.07 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3abq h VAL 148 Cb 0.73 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3abq h VAL 148 CO 0.05 0.04 0.05 -0.33 0.02 0.00 0.00 177.57 177.41 3abq h GLU 149 N 0.23 0.83 -0.19 1.57 4.39 -1.58 -2.80 114.58 117.03 3abq h GLU 149 Ca 0.10 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 3abq h GLU 149 Cb 0.04 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3abq h GLU 149 CO -0.08 0.80 -0.27 0.00 -1.16 0.00 0.00 179.01 178.30 3abq h ALA 150 N 1.27 1.19 -0.18 3.43 0.00 -1.13 -2.31 119.26 121.53 3abq h ALA 150 Ca 0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3abq h ALA 150 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3abq h ALA 150 CO 0.01 0.52 -0.06 -0.07 0.00 0.00 0.00 179.25 179.66 3abq h LEU 151 N 0.32 0.37 -1.59 0.00 4.07 -1.16 -1.42 115.31 115.89 3abq h LEU 151 Ca 0.05 -0.38 -0.04 0.00 0.08 0.00 0.00 57.88 57.59 3abq h LEU 151 Cb 0.64 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 3abq h LEU 151 CO 0.05 0.67 -0.19 0.11 -1.08 0.00 0.00 178.44 177.99 3abq h LYS 152 N 0.07 0.00 0.26 1.13 1.57 -1.45 -1.34 116.57 116.80 3abq h LYS 152 Ca 0.05 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.49 3abq h LYS 152 Cb 0.51 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.86 3abq h LYS 152 CO 0.02 0.19 -1.50 0.00 -0.57 0.00 0.00 179.45 177.60 3abq h ALA 153 N 1.81 -0.15 0.00 3.86 0.00 -1.25 -3.41 119.26 120.11 3abq h ALA 153 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3abq h ALA 153 Cb 0.50 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3abq h ALA 153 CO 0.03 0.70 -0.77 1.04 0.00 0.00 0.00 179.25 180.25 3abq n GLN 154 N -3.72 2.63 -4.04 0.00 6.02 -0.55 -5.01 117.38 112.72 3abq n GLN 154 Ca -0.17 -0.03 -0.27 0.00 -0.01 0.00 0.00 57.00 56.52 3abq n GLN 154 Cb 1.11 -0.95 -0.05 0.00 1.02 0.00 0.00 30.24 31.36 3abq n GLN 154 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3abq s VAL 156 N -1.71 3.91 0.24 0.00 -7.23 -1.26 -4.82 120.40 109.52 3abq s VAL 156 Ca 0.32 1.64 -0.27 0.00 -1.81 0.00 0.00 61.98 61.86 3abq s VAL 156 Cb -0.11 -4.04 -0.09 0.00 0.56 0.00 0.00 36.38 32.70 3abq s VAL 156 CO 0.25 0.27 0.87 0.00 -0.31 0.00 0.00 175.10 176.19 3abq s ALA 157 N -0.18 3.35 -1.22 1.32 0.00 -1.26 -4.29 121.76 119.47 3abq s ALA 157 Ca 0.49 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 3abq s ALA 157 Cb -0.29 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 3abq s ALA 157 CO 0.34 0.24 0.92 0.09 0.00 0.00 0.00 175.76 177.35 3abq n ASN 158 N 1.24 -2.10 -4.84 0.00 3.02 0.12 -4.98 115.26 107.72 3abq n ASN 158 Ca -0.02 -0.68 -0.31 0.00 -0.03 0.00 0.00 54.58 53.54 3abq n ASN 158 Cb 0.49 -4.85 0.03 0.00 -0.61 0.00 0.00 39.78 34.83 3abq n ASN 158 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3abq s PRO 159 N -5.46 3.27 0.06 3.52 0.04 -1.26 -4.89 135.00 130.27 3abq s PRO 159 Ca 0.03 0.89 -0.16 0.00 0.04 0.00 0.00 61.00 61.80 3abq s PRO 159 Cb -0.01 -2.03 -0.19 0.00 0.04 0.00 0.00 34.50 32.31 3abq s PRO 159 CO 0.75 -0.83 1.22 -0.44 0.04 0.00 0.00 177.00 177.74 3abq h ASP 160 N -0.40 0.75 -3.25 6.66 3.45 -1.36 -1.97 116.42 120.29 3abq h ASP 160 Ca -0.44 -0.67 -0.45 0.00 0.43 0.00 0.00 57.03 55.90 3abq h ASP 160 Cb 1.20 -0.22 -0.38 0.00 -0.56 0.00 0.00 39.33 39.37 3abq h ASP 160 CO 0.59 1.31 -0.77 0.68 -1.57 0.00 0.00 179.24 179.48 3abq s VAL 161 N -3.57 0.44 -0.24 -1.35 -7.23 -1.16 -0.99 120.40 106.31 3abq s VAL 161 Ca -0.12 0.05 -0.06 0.00 -1.81 0.00 0.00 61.98 60.05 3abq s VAL 161 Cb 0.06 -0.61 -0.01 0.00 0.56 0.00 0.00 36.38 36.38 3abq s VAL 161 CO 0.86 0.24 0.02 -1.58 -0.31 0.00 0.00 175.10 174.34 3abq s GLN 162 N 1.94 3.45 -0.27 4.82 2.00 0.12 -0.55 119.66 131.18 3abq s GLN 162 Ca 0.05 -0.60 -0.15 0.00 -2.00 0.00 0.00 55.36 52.66 3abq s GLN 162 Cb -0.13 -3.20 -0.04 0.00 0.80 0.00 0.00 33.01 30.45 3abq s GLN 162 CO -0.06 -0.23 0.36 0.08 -0.50 0.00 0.00 175.29 174.94 3abq s VAL 163 N 1.54 5.18 -0.04 1.34 1.01 -1.26 0.52 120.40 128.69 3abq s VAL 163 Ca 0.05 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.63 3abq s VAL 163 Cb -0.15 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3abq s VAL 163 CO 0.01 0.17 -0.17 -0.69 0.00 0.00 0.00 175.10 174.41 3abq s VAL 164 N 2.03 2.79 -0.01 2.92 1.01 0.23 -3.54 120.40 125.83 3abq s VAL 164 Ca 0.15 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.37 3abq s VAL 164 Cb -0.16 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3abq s VAL 164 CO 0.10 0.59 -0.23 -0.51 0.00 0.00 0.00 175.10 175.05 3abq s ILE 165 N -0.66 1.78 -0.06 2.22 2.07 -0.69 -0.48 121.20 125.37 3abq s ILE 165 Ca 0.10 -0.98 -0.10 0.00 -1.41 0.00 0.00 60.65 58.26 3abq s ILE 165 Cb -0.11 -1.48 0.02 0.00 0.13 0.00 0.00 42.46 41.02 3abq s ILE 165 CO 0.00 0.49 0.24 -0.55 -1.91 0.00 0.00 174.94 173.21 3abq s SER 166 N -0.58 -0.18 0.26 4.50 0.15 -0.39 0.36 113.70 117.81 3abq s SER 166 Ca 0.09 0.26 -0.05 0.00 0.70 0.00 0.00 55.95 56.94 3abq s SER 166 Cb -0.09 0.40 0.29 0.00 -1.71 0.00 0.00 66.02 64.92 3abq s SER 166 CO -0.01 -0.23 1.89 -2.24 1.20 0.00 0.00 173.24 173.86 3abq h ASP 167 N 5.01 1.06 0.00 5.45 2.03 -1.85 -3.05 116.42 125.07 3abq h ASP 167 Ca -0.28 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 3abq h ASP 167 Cb 1.19 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 3abq h ASP 167 CO 0.37 0.83 0.00 0.61 -1.03 0.00 0.00 179.24 180.03 3abq n GLY 168 N -1.21 3.96 0.48 7.15 0.00 -1.26 -1.98 105.19 112.32 3abq n GLY 168 Ca 0.09 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.36 3abq n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3abq n LEU 169 N 0.00 1.99 -3.56 0.99 4.77 -0.08 -4.79 117.00 116.31 3abq n LEU 169 Ca 0.00 -0.75 -0.20 0.00 -0.03 0.00 0.00 56.01 55.03 3abq n LEU 169 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 3abq n LEU 169 CO 0.00 0.37 -0.24 -0.55 -1.33 0.00 0.00 177.39 175.64 3abq s SER 170 N -2.49 1.45 0.17 -1.43 0.15 -0.84 -4.43 113.70 106.28 3abq s SER 170 Ca 0.18 -0.18 -0.08 0.00 0.70 0.00 0.00 55.95 56.58 3abq s SER 170 Cb 0.18 0.21 0.05 0.00 -1.71 0.00 0.00 66.02 64.75 3abq s SER 170 CO 0.58 -0.31 1.53 0.74 1.20 0.00 0.00 173.24 176.98 3abq h THR 171 N 6.35 1.28 -0.54 6.45 2.02 -1.76 -3.06 112.91 123.65 3abq h THR 171 Ca -0.16 -1.52 0.04 0.00 0.77 0.00 0.00 66.41 65.54 3abq h THR 171 Cb 1.14 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 3abq h THR 171 CO 0.25 0.50 0.36 0.44 0.37 0.00 0.00 175.52 177.44 3abq h ASP 172 N 0.69 0.52 0.13 4.18 3.45 -1.87 -0.74 116.42 122.79 3abq h ASP 172 Ca 0.07 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.51 3abq h ASP 172 Cb 0.92 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.56 3abq h ASP 172 CO 0.08 0.36 -0.07 0.00 -1.57 0.00 0.00 179.24 178.05 3abq h ALA 173 N 1.69 1.58 0.01 3.45 0.00 -1.42 -1.59 119.26 122.98 3abq h ALA 173 Ca 0.22 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 3abq h ALA 173 Cb 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3abq h ALA 173 CO -0.06 0.09 -1.13 0.82 0.00 0.00 0.00 179.25 178.97 3abq h ILE 174 N 0.00 1.03 -0.17 0.00 1.08 -1.27 -3.35 117.51 114.83 3abq h ILE 174 Ca -0.00 -2.22 -0.04 0.00 -0.39 0.00 0.00 64.86 62.21 3abq h ILE 174 Cb 0.15 2.42 -0.00 0.00 -3.07 0.00 0.00 36.82 36.32 3abq h ILE 174 CO 0.01 0.40 -0.05 0.74 -0.69 0.00 0.00 178.15 178.55 3abq h THR 175 N -0.92 1.30 -0.32 -0.27 2.02 -1.16 -1.84 112.91 111.73 3abq h THR 175 Ca -0.30 -1.04 -0.09 0.00 0.77 0.00 0.00 66.41 65.75 3abq h THR 175 Cb 1.32 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 3abq h THR 175 CO -0.16 0.31 -0.18 0.58 0.37 0.00 0.00 175.52 176.44 3abq h VAL 176 N 0.02 1.26 0.00 3.16 2.07 -1.53 -3.27 116.25 117.96 3abq h VAL 176 Ca 0.04 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3abq h VAL 176 Cb 0.50 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3abq h VAL 176 CO 0.02 0.39 -1.28 0.59 0.02 0.00 0.00 177.57 177.30 3abq n ASN 177 N -4.15 0.62 0.31 0.57 3.02 -1.21 -4.71 115.26 109.72 3abq n ASN 177 Ca 0.00 -0.54 -0.18 0.00 -0.03 0.00 0.00 54.58 53.83 3abq n ASN 177 Cb 0.38 1.23 -0.09 0.00 -0.61 0.00 0.00 39.78 40.69 3abq n ASN 177 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3abq h TYR 178 N 0.00 -1.30 0.00 3.10 3.20 -1.39 -1.86 116.97 118.72 3abq h TYR 178 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3abq h TYR 178 Cb 0.69 0.50 0.00 0.00 1.54 0.00 0.00 36.73 39.46 3abq h TYR 178 CO 0.00 -0.66 0.00 -1.91 -1.64 0.00 0.00 178.16 173.95 3abq n GLU 179 N -5.56 0.16 -0.01 1.82 4.07 -1.26 -1.35 120.64 118.51 3abq n GLU 179 Ca -0.12 0.53 0.02 0.00 -0.06 0.00 0.00 57.16 57.52 3abq n GLU 179 Cb 0.46 -1.89 -0.12 0.00 -0.06 0.00 0.00 31.44 29.82 3abq n GLU 179 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3abq n GLU 180 N -2.21 0.65 -0.07 5.31 2.13 -0.75 -4.47 120.64 121.22 3abq n GLU 180 Ca 0.00 0.03 -0.09 0.00 0.66 0.00 0.00 57.16 57.76 3abq n GLU 180 Cb 0.12 -1.66 -0.09 0.00 0.27 0.00 0.00 31.44 30.09 3abq n GLU 180 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3abq n ILE 181 N -2.65 0.91 0.07 6.31 3.06 -0.87 -3.43 119.36 122.77 3abq n ILE 181 Ca -0.13 -0.43 -0.12 0.00 -2.50 0.00 0.00 62.75 59.57 3abq n ILE 181 Cb 0.81 -0.91 -0.08 0.00 0.54 0.00 0.00 39.64 39.99 3abq n ILE 181 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 3abq h LEU 182 N 0.00 -0.19 -0.17 9.51 7.12 -1.45 -2.42 115.31 127.71 3abq h LEU 182 Ca -0.36 -0.33 0.05 0.00 0.13 0.00 0.00 57.88 57.37 3abq h LEU 182 Cb 1.65 0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 41.77 3abq h LEU 182 CO -0.03 0.28 -0.22 -0.65 -0.13 0.00 0.00 178.44 177.69 3abq h PRO 183 N -0.72 -0.25 -0.19 5.25 0.11 -1.78 -0.62 132.00 133.80 3abq h PRO 183 Ca -0.02 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 3abq h PRO 183 Cb 0.51 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3abq h PRO 183 CO 0.04 -0.17 -0.13 -1.00 -0.21 0.00 0.00 178.00 176.53 3abq h PRO 184 N -0.26 0.31 -0.14 1.05 0.13 -1.83 0.29 132.00 131.53 3abq h PRO 184 Ca 0.11 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 3abq h PRO 184 Cb 0.43 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 3abq h PRO 184 CO -0.32 0.45 0.03 1.25 -0.23 0.00 0.00 178.00 179.17 3abq h LEU 185 N 0.29 0.22 -0.38 1.56 5.85 -1.02 0.27 115.31 122.09 3abq h LEU 185 Ca 0.06 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 3abq h LEU 185 Cb 0.41 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3abq h LEU 185 CO 0.02 0.41 0.10 0.24 -0.34 0.00 0.00 178.44 178.87 3abq h MET 186 N 0.02 0.59 0.00 1.25 2.86 -0.89 -1.49 114.93 117.28 3abq h MET 186 Ca 0.04 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3abq h MET 186 Cb 0.28 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3abq h MET 186 CO 0.00 0.62 -0.16 0.00 1.06 0.00 0.00 176.91 178.44 3abq h ALA 187 N 0.95 1.47 -0.01 6.32 0.00 -0.89 -2.44 119.26 124.65 3abq h ALA 187 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3abq h ALA 187 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3abq h ALA 187 CO -0.00 0.20 -0.04 0.78 0.00 0.00 0.00 179.25 180.19 3abq h GLY 188 N 0.70 0.05 2.00 0.00 0.00 -0.02 -0.52 103.07 105.29 3abq h GLY 188 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3abq h GLY 188 CO 0.02 0.06 0.00 1.41 0.00 0.00 0.00 176.54 178.03 3abq h LEU 189 N -0.56 0.00 0.00 3.11 3.38 -1.16 -3.07 115.31 117.00 3abq h LEU 189 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3abq h LEU 189 Cb 0.67 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3abq h LEU 189 CO 0.01 0.00 -1.61 0.29 0.09 0.00 0.00 178.44 177.22 3abq n LYS 190 N -2.33 0.57 -2.28 1.13 4.76 -0.93 -1.45 118.16 117.63 3abq n LYS 190 Ca 0.01 0.48 -0.43 0.00 -2.87 0.00 0.00 58.31 55.51 3abq n LYS 190 Cb 0.20 -1.67 -0.02 0.00 -1.84 0.00 0.00 35.03 31.70 3abq n LYS 190 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3abq s GLN 191 N -2.41 4.13 -1.43 1.97 -0.21 -0.20 -1.16 119.66 120.35 3abq s GLN 191 Ca -0.31 1.75 -0.04 0.00 0.02 0.00 0.00 55.36 56.77 3abq s GLN 191 Cb 0.08 -3.87 0.03 0.00 1.00 0.00 0.00 33.01 30.26 3abq s GLN 191 CO 0.55 -0.86 0.61 0.00 -2.12 0.00 0.00 175.29 173.47 3abq n ALA 192 N 7.08 -1.84 -3.00 6.09 0.00 -1.26 -4.83 120.51 122.75 3abq n ALA 192 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abq n ALA 192 Cb 0.45 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3abq n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3abq n GLY 193 N -1.76 5.39 0.00 0.00 0.00 -0.31 -5.02 105.19 103.49 3abq n GLY 193 Ca -0.22 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3abq n GLY 193 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3abq n LEU 194 N 0.00 0.00 -4.56 0.99 -0.00 -0.53 -4.93 117.00 107.97 3abq n LEU 194 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 3abq n LEU 194 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 3abq n LEU 194 CO 0.00 0.00 1.42 -0.75 -0.00 0.00 0.00 177.39 178.06 3abq s LYS 195 N 1.64 3.25 0.09 1.47 2.20 -1.26 -4.71 119.74 122.41 3abq s LYS 195 Ca 0.00 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 3abq s LYS 195 Cb 0.00 -5.11 -0.05 0.00 -1.51 0.00 0.00 37.83 31.16 3abq s LYS 195 CO 0.00 -2.51 1.02 0.08 -0.36 0.00 0.00 175.35 173.57 3abq s VAL 196 N 6.50 4.43 1.05 4.02 1.01 -1.26 -0.87 120.40 135.28 3abq s VAL 196 Ca 0.52 1.92 -0.15 0.00 0.00 0.00 0.00 61.98 64.27 3abq s VAL 196 Cb -0.03 -4.23 0.21 0.00 0.00 0.00 0.00 36.38 32.33 3abq s VAL 196 CO -0.04 0.25 1.12 -0.83 0.00 0.00 0.00 175.10 175.60 3abq s GLY 197 N 0.36 1.58 -0.18 4.51 0.00 0.29 -4.93 107.32 108.94 3abq s GLY 197 Ca 0.50 -0.62 -0.15 0.00 0.00 0.00 0.00 44.72 44.45 3abq s GLY 197 CO 0.30 0.08 0.37 -1.08 0.00 0.00 0.00 173.10 172.77 3abq s THR 198 N -3.08 5.23 0.32 0.90 -1.32 -1.26 -4.75 115.64 111.68 3abq s THR 198 Ca 0.67 0.68 -0.28 0.00 -1.21 0.00 0.00 61.69 61.55 3abq s THR 198 Cb -0.15 -3.71 -0.09 0.00 -1.51 0.00 0.00 72.50 67.04 3abq s THR 198 CO 0.56 0.30 1.13 -2.16 -2.21 0.00 0.00 174.62 172.24 3abq s PRO 199 N 1.02 4.44 0.03 7.08 0.04 -1.26 -4.77 135.00 141.59 3abq s PRO 199 Ca 0.19 1.83 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 3abq s PRO 199 Cb -0.14 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.40 3abq s PRO 199 CO 0.07 0.03 0.19 -0.59 0.04 0.00 0.00 177.00 176.73 3abq s PHE 200 N -1.27 0.06 -0.19 0.56 -0.12 -1.23 -4.33 117.98 111.46 3abq s PHE 200 Ca 0.49 -0.26 -0.14 0.00 -0.05 0.00 0.00 56.93 56.97 3abq s PHE 200 Cb -0.31 -0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.00 3abq s PHE 200 CO 0.40 -0.41 0.29 0.12 -0.05 0.00 0.00 175.22 175.57 3abq s PHE 201 N -2.43 3.40 -0.30 3.49 2.19 0.17 -1.71 117.98 122.79 3abq s PHE 201 Ca -0.06 0.51 -0.08 0.00 0.33 0.00 0.00 56.93 57.63 3abq s PHE 201 Cb -0.02 -2.37 -0.00 0.00 -1.31 0.00 0.00 43.02 39.32 3abq s PHE 201 CO -0.03 0.14 0.12 0.08 1.83 0.00 0.00 175.22 177.35 3abq s VAL 202 N 0.82 4.33 0.22 3.12 1.01 0.16 0.39 120.40 130.44 3abq s VAL 202 Ca 0.15 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3abq s VAL 202 Cb -0.13 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 3abq s VAL 202 CO 0.05 0.10 1.01 -0.60 0.00 0.00 0.00 175.10 175.65 3abq s ARG 203 N 1.57 4.74 -1.04 2.72 3.52 0.13 -3.64 118.95 126.95 3abq s ARG 203 Ca 0.04 1.59 -0.06 0.00 -0.13 0.00 0.00 55.73 57.17 3abq s ARG 203 Cb -0.17 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 29.95 3abq s ARG 203 CO 0.04 0.32 0.82 0.66 -0.81 0.00 0.00 175.30 176.34 3abq n TYR 204 N 1.79 -2.06 -3.40 5.12 4.01 -1.26 -1.78 117.16 119.57 3abq n TYR 204 Ca -0.00 0.71 -0.35 0.00 -0.16 0.00 0.00 57.90 58.09 3abq n TYR 204 Cb 0.47 -3.97 -0.06 0.00 -0.31 0.00 0.00 39.34 35.47 3abq n TYR 204 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3abq s GLY 205 N -3.17 2.44 0.17 2.72 0.00 -1.26 -4.50 107.32 103.74 3abq s GLY 205 Ca 0.41 -0.18 0.09 0.00 0.00 0.00 0.00 44.72 45.04 3abq s GLY 205 CO 0.50 0.10 -0.09 0.50 0.00 0.00 0.00 173.10 174.11 3abq s ARG 206 N -1.91 2.08 0.26 2.90 1.81 0.26 -4.15 118.95 120.20 3abq s ARG 206 Ca 0.36 -1.24 -0.02 0.00 -1.72 0.00 0.00 55.73 53.12 3abq s ARG 206 Cb -0.15 -2.18 0.57 0.00 -0.45 0.00 0.00 34.95 32.74 3abq s ARG 206 CO 0.19 0.44 1.67 0.28 -0.68 0.00 0.00 175.30 177.20 3abq h VAL 207 N 2.79 0.44 0.00 3.52 2.07 -1.97 -0.21 116.25 122.88 3abq h VAL 207 Ca -0.47 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3abq h VAL 207 Cb 1.20 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3abq h VAL 207 CO 0.54 0.05 0.00 0.29 0.02 0.00 0.00 177.57 178.47 3abq n LYS 208 N -5.17 0.16 0.30 1.57 5.02 -1.26 -1.93 118.16 116.84 3abq n LYS 208 Ca 0.17 0.59 0.19 0.00 -2.02 0.00 0.00 58.31 57.24 3abq n LYS 208 Cb 0.56 -1.95 0.93 0.00 -0.02 0.00 0.00 35.03 34.55 3abq n LYS 208 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3abq h ILE 209 N 0.00 0.13 0.00 -0.18 2.10 -1.10 -2.32 117.51 116.13 3abq h ILE 209 Ca 0.00 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.65 3abq h ILE 209 Cb 0.09 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 3abq h ILE 209 CO 0.00 0.02 0.00 1.05 -1.08 0.00 0.00 178.15 178.14 3abq h GLU 210 N 0.00 0.00 -0.11 2.19 4.11 -1.58 -2.04 114.58 117.14 3abq h GLU 210 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 3abq h GLU 210 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3abq h GLU 210 CO 0.00 0.00 -0.08 -0.44 0.07 0.00 0.00 179.01 178.56 3abq h ASP 211 N 0.00 0.27 -0.56 3.06 3.32 -1.65 -0.53 116.42 120.34 3abq h ASP 211 Ca 0.00 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 3abq h ASP 211 Cb 0.46 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3abq h ASP 211 CO 0.00 0.67 0.27 -0.61 -1.72 0.00 0.00 179.24 177.85 3abq h GLN 212 N -0.12 0.81 -0.70 3.56 4.15 -1.65 -2.20 115.11 118.96 3abq h GLN 212 Ca 0.02 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.35 3abq h GLN 212 Cb 0.58 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 3abq h GLN 212 CO 0.02 0.66 0.46 0.82 -1.93 0.00 0.00 178.83 178.87 3abq h ILE 213 N 0.76 1.12 -0.37 2.39 2.04 -1.35 -1.50 117.51 120.59 3abq h ILE 213 Ca 0.19 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 3abq h ILE 213 Cb 0.12 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3abq h ILE 213 CO -0.02 0.16 -0.03 1.23 0.00 0.00 0.00 178.15 179.49 3abq h GLY 214 N 0.87 0.72 0.76 5.37 0.00 -0.67 -2.67 103.07 107.45 3abq h GLY 214 Ca 0.28 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3abq h GLY 214 CO -0.07 0.51 -0.01 0.83 0.00 0.00 0.00 176.54 177.79 3abq h GLU 215 N 0.48 0.22 -0.62 4.80 5.08 -1.08 0.09 114.58 123.55 3abq h GLU 215 Ca 0.10 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3abq h GLU 215 Cb 0.50 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3abq h GLU 215 CO 0.02 0.48 0.38 0.82 -1.00 0.00 0.00 179.01 179.72 3abq h ILE 216 N -0.06 1.17 -0.01 3.13 2.04 -1.32 -2.82 117.51 119.64 3abq h ILE 216 Ca 0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3abq h ILE 216 Cb 0.39 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3abq h ILE 216 CO 0.01 0.17 -0.51 0.18 0.00 0.00 0.00 178.15 178.00 3abq n LEU 217 N -4.62 1.06 -1.59 1.44 4.77 -1.01 -4.92 117.00 112.12 3abq n LEU 217 Ca 0.04 -0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 55.57 3abq n LEU 217 Cb 0.04 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3abq n LEU 217 CO 0.36 0.22 -0.14 0.61 -1.33 0.00 0.00 177.39 177.11 3abq n GLY 218 N 1.43 -0.16 3.77 -0.72 0.00 -0.07 0.16 105.19 109.60 3abq n GLY 218 Ca 0.08 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3abq n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abq s ALA 219 N -2.71 3.28 0.06 4.61 0.00 -0.67 -4.29 121.76 122.04 3abq s ALA 219 Ca 0.03 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 3abq s ALA 219 Cb -0.01 -3.29 -0.28 0.00 0.00 0.00 0.00 23.12 19.54 3abq s ALA 219 CO 0.04 -0.12 1.11 0.87 0.00 0.00 0.00 175.76 177.66 3abq h LYS 220 N 3.38 0.58 -4.19 0.00 1.79 -1.42 -3.38 116.57 113.33 3abq h LYS 220 Ca -0.47 -0.79 -0.45 0.00 -2.18 0.00 0.00 60.65 56.75 3abq h LYS 220 Cb 1.21 0.27 -0.34 0.00 -1.58 0.00 0.00 32.23 31.78 3abq h LYS 220 CO 0.65 1.36 -0.79 0.08 -1.08 0.00 0.00 179.45 179.67 3abq s VAL 221 N -2.95 0.76 -0.21 0.50 1.01 -0.16 0.53 120.40 119.88 3abq s VAL 221 Ca -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 3abq s VAL 221 Cb 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3abq s VAL 221 CO 0.93 0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 175.57 3abq s VAL 222 N 0.97 3.33 -0.26 2.92 1.01 -0.57 0.15 120.40 127.95 3abq s VAL 222 Ca -0.10 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3abq s VAL 222 Cb -0.15 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3abq s VAL 222 CO 0.00 0.43 0.05 -0.63 0.00 0.00 0.00 175.10 174.96 3abq s ILE 223 N 1.39 4.03 -0.22 2.22 1.01 0.19 -1.93 121.20 127.89 3abq s ILE 223 Ca 0.05 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 3abq s ILE 223 Cb -0.14 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3abq s ILE 223 CO -0.03 0.26 0.08 -0.22 0.00 0.00 0.00 174.94 175.03 3abq s LEU 224 N 1.55 3.68 -0.35 2.97 2.96 0.33 0.75 118.68 130.57 3abq s LEU 224 Ca 0.05 -0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.82 3abq s LEU 224 Cb -0.16 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.59 3abq s LEU 224 CO 0.02 0.07 0.18 -0.76 -1.32 0.00 0.00 176.35 174.54 3abq s LEU 225 N 1.00 4.52 0.04 -0.68 1.43 0.37 -0.89 118.68 124.45 3abq s LEU 225 Ca 0.04 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.27 3abq s LEU 225 Cb -0.14 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3abq s LEU 225 CO 0.03 -0.33 -0.10 0.54 0.23 0.00 0.00 176.35 176.72 3abq s VAL 226 N 1.55 0.73 -0.20 -1.59 0.11 -0.50 -1.27 120.40 119.23 3abq s VAL 226 Ca 0.02 -0.93 -0.29 0.00 -2.93 0.00 0.00 61.98 57.85 3abq s VAL 226 Cb -0.19 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3abq s VAL 226 CO 0.06 -0.18 1.32 -0.83 -3.33 0.00 0.00 175.10 172.14 3abq s GLY 227 N -1.23 1.54 0.60 6.54 0.00 -1.06 -1.95 107.32 111.76 3abq s GLY 227 Ca -0.04 0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.95 3abq s GLY 227 CO 0.01 2.59 1.01 -1.83 0.00 0.00 0.00 173.10 174.87 3abq s GLU 228 N 3.79 3.63 0.36 2.90 -1.05 -1.19 -0.91 118.70 126.23 3abq s GLU 228 Ca 0.57 0.73 -0.28 0.00 -0.15 0.00 0.00 54.97 55.85 3abq s GLU 228 Cb -0.21 -2.10 -0.12 0.00 -0.44 0.00 0.00 34.13 31.26 3abq s GLU 228 CO 0.19 -0.52 1.29 2.89 0.95 0.00 0.00 175.26 180.06 3abq n ARG 229 N -2.61 2.11 -2.07 -4.83 0.00 -1.26 -4.01 116.66 104.00 3abq n ARG 229 Ca 0.06 0.74 -0.41 0.00 -0.00 0.00 0.00 57.85 58.24 3abq n ARG 229 Cb 0.54 -2.35 -0.02 0.00 -0.00 0.00 0.00 32.46 30.63 3abq n ARG 229 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3abq s PRO 230 N -1.94 4.31 1.01 2.89 0.02 -1.26 -4.99 135.00 135.04 3abq s PRO 230 Ca 0.56 2.24 -0.16 0.00 0.02 0.00 0.00 61.00 63.66 3abq s PRO 230 Cb -0.56 -3.11 0.21 0.00 0.02 0.00 0.00 34.50 31.07 3abq s PRO 230 CO 0.62 -0.33 1.26 0.20 -0.33 0.00 0.00 177.00 178.42 3abq s GLY 231 N 0.10 1.72 0.09 0.52 0.00 0.66 -5.00 107.32 105.42 3abq s GLY 231 Ca 0.56 -1.10 -0.19 0.00 0.00 0.00 0.00 44.72 43.98 3abq s GLY 231 CO 0.46 -0.32 1.62 -2.00 0.00 0.00 0.00 173.10 172.86 3abq h LEU 232 N -1.84 0.31 -3.02 0.66 5.85 -1.96 -3.31 115.31 112.00 3abq h LEU 232 Ca -0.45 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3abq h LEU 232 Cb 1.26 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3abq h LEU 232 CO 0.39 0.41 0.00 0.61 -0.34 0.00 0.00 178.44 179.51 3abq n GLY 233 N -0.67 3.60 3.29 3.75 0.00 -1.26 -4.37 105.19 109.53 3abq n GLY 233 Ca -0.03 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 3abq n GLY 233 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3abq s GLN 234 N -1.80 0.58 0.00 1.61 1.03 -1.25 -5.05 119.66 114.78 3abq s GLN 234 Ca 0.21 0.30 0.00 0.00 0.04 0.00 0.00 55.36 55.91 3abq s GLN 234 Cb 0.16 0.27 0.00 0.00 0.03 0.00 0.00 33.01 33.47 3abq s GLN 234 CO 0.06 -0.12 0.05 0.45 -2.54 0.00 0.00 175.29 173.19 3abq n SER 235 N 2.22 0.10 -1.83 12.60 2.88 -1.26 -0.25 113.62 128.07 3abq n SER 235 Ca -0.16 -0.39 -0.05 0.00 -1.33 0.00 0.00 58.87 56.94 3abq n SER 235 Cb 0.57 0.35 0.29 0.00 -0.75 0.00 0.00 64.21 64.67 3abq n SER 235 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3abq n GLU 236 N -0.35 3.43 -2.64 -1.46 0.28 -1.26 -2.97 120.64 115.68 3abq n GLU 236 Ca 0.00 -3.08 -0.43 0.00 -0.16 0.00 0.00 57.16 53.49 3abq n GLU 236 Cb 0.03 -2.15 -0.02 0.00 1.43 0.00 0.00 31.44 30.73 3abq n GLU 236 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3abq s SER 237 N -1.28 6.94 -0.03 -1.84 0.15 -1.26 -4.52 113.70 111.86 3abq s SER 237 Ca 0.53 1.07 -0.01 0.00 0.70 0.00 0.00 55.95 58.24 3abq s SER 237 Cb 0.43 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 3abq s SER 237 CO 0.12 -0.87 0.07 -0.22 1.20 0.00 0.00 173.24 173.54 3abq s LEU 238 N 3.64 3.90 0.11 3.45 2.96 -0.05 -3.18 118.68 129.51 3abq s LEU 238 Ca 0.46 0.18 0.09 0.00 -0.22 0.00 0.00 54.13 54.64 3abq s LEU 238 Cb -0.12 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3abq s LEU 238 CO 0.15 0.31 -0.23 -0.94 -1.32 0.00 0.00 176.35 174.32 3abq s SER 239 N -1.50 2.75 -0.22 3.68 1.04 -0.82 -0.33 113.70 118.31 3abq s SER 239 Ca 0.20 -0.70 -0.06 0.00 0.48 0.00 0.00 55.95 55.87 3abq s SER 239 Cb -0.12 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 3abq s SER 239 CO 0.11 0.10 0.03 0.00 0.98 0.00 0.00 173.24 174.45 3abq s TYR 241 N 1.28 3.03 0.03 0.00 1.51 -0.07 0.23 117.35 123.36 3abq s TYR 241 Ca 0.04 -0.82 0.06 0.00 -1.01 0.00 0.00 57.07 55.34 3abq s TYR 241 Cb -0.15 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 3abq s TYR 241 CO 0.02 -0.50 -0.18 0.00 -1.11 0.00 0.00 175.55 173.77 3abq s ALA 242 N 1.52 1.54 -0.06 3.71 0.00 -0.27 -0.51 121.76 127.68 3abq s ALA 242 Ca 0.05 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 3abq s ALA 242 Cb -0.15 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.69 3abq s ALA 242 CO -0.01 0.34 0.23 0.54 0.00 0.00 0.00 175.76 176.86 3abq s VAL 243 N -0.76 0.02 -0.22 0.00 0.11 -0.81 -0.56 120.40 118.19 3abq s VAL 243 Ca 0.06 -0.19 -0.19 0.00 -2.93 0.00 0.00 61.98 58.73 3abq s VAL 243 Cb -0.08 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 3abq s VAL 243 CO 0.01 -0.10 0.55 -0.47 -3.33 0.00 0.00 175.10 171.76 3abq s TYR 244 N -0.34 3.35 -1.05 1.54 6.14 -1.26 -1.52 117.35 124.21 3abq s TYR 244 Ca -0.04 0.78 -0.19 0.00 0.64 0.00 0.00 57.07 58.26 3abq s TYR 244 Cb -0.03 -2.72 0.02 0.00 0.42 0.00 0.00 41.96 39.64 3abq s TYR 244 CO 0.01 -0.17 0.68 0.45 0.64 0.00 0.00 175.55 177.16 3abq n SER 245 N 5.06 -4.82 -4.80 4.32 2.88 0.19 -4.85 113.62 111.59 3abq n SER 245 Ca -0.04 -1.07 -0.32 0.00 -1.33 0.00 0.00 58.87 56.11 3abq n SER 245 Cb 0.50 -2.22 0.02 0.00 -0.75 0.00 0.00 64.21 61.77 3abq n SER 245 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3abq s PRO 246 N -6.11 3.16 -0.04 -1.46 0.04 -1.26 -5.06 135.00 124.27 3abq s PRO 246 Ca 0.31 1.16 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 3abq s PRO 246 Cb -0.15 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.41 3abq s PRO 246 CO 0.91 -0.93 0.07 0.50 0.04 0.00 0.00 177.00 177.59 3abq s ARG 247 N -4.31 -0.02 0.41 4.56 6.06 -1.26 -4.35 118.95 120.03 3abq s ARG 247 Ca 0.62 0.28 0.16 0.00 -2.50 0.00 0.00 55.73 54.30 3abq s ARG 247 Cb -0.16 -0.28 1.04 0.00 0.06 0.00 0.00 34.95 35.60 3abq s ARG 247 CO 0.42 -0.21 1.86 0.52 -2.50 0.00 0.00 175.30 175.39 3abq h MET 248 N 7.57 0.44 0.00 5.12 2.86 -1.93 0.68 114.93 129.67 3abq h MET 248 Ca -0.37 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3abq h MET 248 Cb 1.12 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 3abq h MET 248 CO 0.39 0.29 -0.46 0.00 1.06 0.00 0.00 176.91 178.18 3abq h ALA 249 N 1.61 0.77 0.00 6.32 0.00 -1.98 -3.40 119.26 122.59 3abq h ALA 249 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3abq h ALA 249 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3abq h ALA 249 CO -0.19 0.02 -0.57 0.25 0.00 0.00 0.00 179.25 178.76 3abq n THR 250 N -2.91 0.00 -2.04 0.00 -2.24 -0.83 -5.04 114.28 101.22 3abq n THR 250 Ca 0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 3abq n THR 250 Cb 0.55 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 3abq n THR 250 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3abq s THR 251 N -1.33 3.22 0.34 4.28 2.01 0.17 -4.99 115.64 119.34 3abq s THR 251 Ca 0.00 0.70 0.08 0.00 0.31 0.00 0.00 61.69 62.78 3abq s THR 251 Cb 0.00 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 3abq s THR 251 CO 0.00 0.01 0.27 0.68 -0.69 0.00 0.00 174.62 174.89 3abq s VAL 252 N 2.28 3.44 0.33 3.82 -7.23 -1.26 -4.95 120.40 116.83 3abq s VAL 252 Ca 0.70 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 3abq s VAL 252 Cb -0.37 -3.15 0.28 0.00 0.56 0.00 0.00 36.38 33.69 3abq s VAL 252 CO 0.30 -0.17 1.95 -0.08 -0.31 0.00 0.00 175.10 176.79 3abq h GLU 253 N 1.29 0.90 0.00 4.82 4.57 -1.97 -0.81 114.58 123.37 3abq h GLU 253 Ca -0.44 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3abq h GLU 253 Cb 1.25 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3abq h GLU 253 CO 0.59 0.59 0.00 0.00 -1.18 0.00 0.00 179.01 179.01 3abq n ALA 254 N -2.42 1.32 0.87 2.92 0.00 -1.26 -1.43 120.51 120.51 3abq n ALA 254 Ca 0.11 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.81 3abq n ALA 254 Cb 0.16 -1.34 0.53 0.00 0.00 0.00 0.00 19.45 18.80 3abq n ALA 254 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3abq n ASP 255 N -2.22 0.00 -4.87 0.00 8.00 -0.31 -0.95 116.55 116.20 3abq n ASP 255 Ca 0.00 0.46 -0.36 0.00 0.71 0.00 0.00 54.79 55.61 3abq n ASP 255 Cb 0.12 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.68 3abq n ASP 255 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3abq s ARG 256 N -2.97 3.65 -0.16 -1.24 0.52 -0.51 -2.50 118.95 115.73 3abq s ARG 256 Ca 0.13 0.05 -0.13 0.00 -0.52 0.00 0.00 55.73 55.25 3abq s ARG 256 Cb 0.16 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.48 3abq s ARG 256 CO 0.45 0.66 0.27 0.99 0.02 0.00 0.00 175.30 177.69 3abq s THR 257 N -1.24 5.32 -0.13 0.02 2.01 0.28 -4.01 115.64 117.88 3abq s THR 257 Ca 0.26 0.50 -0.04 0.00 0.31 0.00 0.00 61.69 62.73 3abq s THR 257 Cb -0.14 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 3abq s THR 257 CO 0.14 0.40 -0.01 0.00 -0.69 0.00 0.00 174.62 174.46 3abq s ILE 259 N -0.09 2.42 0.43 0.00 -1.09 0.14 -4.97 121.20 118.04 3abq s ILE 259 Ca 0.03 -1.31 0.07 0.00 -2.23 0.00 0.00 60.65 57.21 3abq s ILE 259 Cb -0.13 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 3abq s ILE 259 CO 0.02 0.13 0.23 -0.94 -1.23 0.00 0.00 174.94 173.15 3abq s SER 260 N 1.21 4.53 -1.36 3.58 1.04 -1.26 0.12 113.70 121.56 3abq s SER 260 Ca -0.03 -1.07 -0.08 0.00 0.48 0.00 0.00 55.95 55.24 3abq s SER 260 Cb -0.18 -0.35 0.02 0.00 0.10 0.00 0.00 66.02 65.61 3abq s SER 260 CO -0.06 -0.64 1.13 0.59 0.98 0.00 0.00 173.24 175.24 3abq n ASN 261 N -1.35 -5.56 -4.62 7.02 4.13 -1.11 -4.81 115.26 108.97 3abq n ASN 261 Ca -0.01 -0.59 -0.42 0.00 1.68 0.00 0.00 54.58 55.24 3abq n ASN 261 Cb 0.64 -4.88 -0.04 0.00 -1.54 0.00 0.00 39.78 33.97 3abq n ASN 261 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3abq s ILE 262 N -3.33 4.67 -1.49 2.41 1.01 0.55 -1.56 121.20 123.45 3abq s ILE 262 Ca 0.51 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.53 3abq s ILE 262 Cb -0.23 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 37.97 3abq s ILE 262 CO 0.74 -0.37 0.00 0.00 0.00 0.00 0.00 174.94 175.31 3abq n HIS 263 N 6.51 0.00 0.35 3.97 1.44 -0.11 -0.87 115.22 126.51 3abq n HIS 263 Ca 0.07 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.92 3abq n HIS 263 Cb 0.48 0.00 0.57 0.00 0.12 0.00 0.00 29.99 31.16 3abq n HIS 263 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 3abq h GLN 264 N 0.00 0.00 -0.01 -1.40 5.75 -1.90 -1.77 115.11 115.79 3abq h GLN 264 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3abq h GLN 264 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3abq h GLN 264 CO 0.00 0.00 -0.70 0.41 -2.65 0.00 0.00 178.83 175.89 3abq n GLY 265 N 0.03 -0.52 0.00 2.39 0.00 -1.26 -4.87 105.19 100.96 3abq n GLY 265 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3abq n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abq n GLY 266 N 1.46 2.05 3.61 -0.02 0.00 -0.67 -5.06 105.19 106.55 3abq n GLY 266 Ca 0.07 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3abq n GLY 266 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3abq s THR 267 N 3.18 4.70 0.23 2.61 2.01 -0.60 -4.74 115.64 123.03 3abq s THR 267 Ca 0.00 1.17 -0.32 0.00 0.31 0.00 0.00 61.69 62.85 3abq s THR 267 Cb 0.00 -4.23 -0.14 0.00 0.01 0.00 0.00 72.50 68.14 3abq s THR 267 CO 0.00 -0.38 1.41 -2.65 -0.69 0.00 0.00 174.62 172.30 3abq n PRO 268 N 6.45 1.98 -0.29 4.92 -0.02 -1.16 -0.94 135.00 145.94 3abq n PRO 268 Ca 0.05 0.71 0.12 0.00 -2.02 0.00 0.00 63.50 62.36 3abq n PRO 268 Cb 0.48 -2.36 0.29 0.00 -0.02 0.00 0.00 33.50 31.88 3abq n PRO 268 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3abq h PRO 269 N 4.30 0.28 -0.00 0.52 0.11 -1.88 0.40 132.00 135.72 3abq h PRO 269 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3abq h PRO 269 Cb 1.28 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3abq h PRO 269 CO 0.76 0.19 0.00 0.28 -0.21 0.00 0.00 178.00 179.02 3abq h VAL 270 N 0.29 1.09 -0.38 3.15 2.07 -1.89 -0.24 116.25 120.33 3abq h VAL 270 Ca 0.54 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.74 3abq h VAL 270 Cb 1.05 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3abq h VAL 270 CO -0.59 0.07 0.02 -0.08 0.02 0.00 0.00 177.57 177.01 3abq h GLU 271 N -0.11 0.60 -0.18 1.57 4.81 -1.59 -2.63 114.58 117.06 3abq h GLU 271 Ca 0.00 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 3abq h GLU 271 Cb 0.11 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3abq h GLU 271 CO -0.00 0.61 -0.35 0.00 -0.73 0.00 0.00 179.01 178.55 3abq h ALA 272 N 1.45 1.08 -0.71 2.92 0.00 -0.01 -3.08 119.26 120.92 3abq h ALA 272 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3abq h ALA 272 Cb 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3abq h ALA 272 CO 0.01 0.58 0.44 0.00 0.00 0.00 0.00 179.25 180.28 3abq h ALA 273 N 1.32 0.90 -0.02 0.00 0.00 -0.65 -1.10 119.26 119.70 3abq h ALA 273 Ca 0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3abq h ALA 273 Cb 0.76 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3abq h ALA 273 CO 0.06 0.35 -0.40 0.00 0.00 0.00 0.00 179.25 179.26 3abq h ALA 274 N 1.24 1.30 -0.34 0.00 0.00 -1.53 -1.74 119.26 118.19 3abq h ALA 274 Ca 0.26 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3abq h ALA 274 Cb -0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3abq h ALA 274 CO -0.05 0.51 -0.06 0.28 0.00 0.00 0.00 179.25 179.94 3abq h VAL 275 N 0.03 1.27 -0.38 0.00 2.07 -1.31 -2.51 116.25 115.43 3abq h VAL 275 Ca 0.00 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 3abq h VAL 275 Cb 0.72 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3abq h VAL 275 CO 0.05 0.36 -0.20 0.40 0.02 0.00 0.00 177.57 178.20 3abq h ILE 276 N 0.43 1.27 0.07 4.57 2.04 -0.92 0.51 117.51 125.48 3abq h ILE 276 Ca 0.09 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 3abq h ILE 276 Cb 0.54 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3abq h ILE 276 CO 0.03 0.43 -0.03 0.58 0.00 0.00 0.00 178.15 179.16 3abq h VAL 277 N 0.65 0.99 -0.54 1.67 2.07 -1.34 -0.56 116.25 119.19 3abq h VAL 277 Ca 0.10 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3abq h VAL 277 Cb 0.69 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3abq h VAL 277 CO 0.05 0.05 0.28 -0.78 0.02 0.00 0.00 177.57 177.19 3abq h ASP 278 N -0.18 0.66 -0.72 0.57 1.82 -1.26 -0.92 116.42 116.39 3abq h ASP 278 Ca -0.01 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.55 3abq h ASP 278 Cb 0.15 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 39.96 3abq h ASP 278 CO 0.02 0.55 0.32 0.25 -1.61 0.00 0.00 179.24 178.76 3abq h LEU 279 N 0.75 0.97 -0.39 2.28 5.85 -0.68 -2.03 115.31 122.06 3abq h LEU 279 Ca 0.19 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3abq h LEU 279 Cb 0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3abq h LEU 279 CO -0.03 0.86 0.05 0.00 -0.34 0.00 0.00 178.44 178.98 3abq h ALA 280 N 1.15 0.51 -0.48 1.25 0.00 -0.14 -1.55 119.26 120.00 3abq h ALA 280 Ca 0.24 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3abq h ALA 280 Cb 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3abq h ALA 280 CO -0.03 0.23 0.22 0.87 0.00 0.00 0.00 179.25 180.55 3abq h LYS 281 N 0.49 0.42 -0.74 0.00 1.57 -1.11 -2.34 116.57 114.86 3abq h LYS 281 Ca 0.12 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3abq h LYS 281 Cb 0.38 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3abq h LYS 281 CO 0.01 0.28 0.24 0.00 -0.57 0.00 0.00 179.45 179.41 3abq h ARG 282 N 0.43 1.14 -0.87 3.15 3.08 -1.18 -1.71 114.38 118.43 3abq h ARG 282 Ca 0.22 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3abq h ARG 282 Cb 0.16 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 3abq h ARG 282 CO -0.18 0.97 0.53 0.52 -1.07 0.00 0.00 179.97 180.75 3abq h MET 283 N 1.09 1.17 -0.22 0.04 2.86 -0.99 -0.33 114.93 118.54 3abq h MET 283 Ca 0.24 -0.10 -0.16 0.00 -2.06 0.00 0.00 59.70 57.62 3abq h MET 283 Cb 0.29 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3abq h MET 283 CO -0.01 0.81 -0.52 -0.07 1.06 0.00 0.00 176.91 178.18 3abq h LEU 284 N 1.18 0.70 -0.50 1.22 3.38 -1.19 0.30 115.31 120.41 3abq h LEU 284 Ca 0.31 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3abq h LEU 284 Cb -0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3abq h LEU 284 CO -0.06 1.09 -0.20 -0.33 0.09 0.00 0.00 178.44 179.03 3abq h GLU 285 N 0.50 1.02 0.00 1.13 5.08 -1.01 -3.22 114.58 118.08 3abq h GLU 285 Ca 0.02 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3abq h GLU 285 Cb 1.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3abq h GLU 285 CO 0.10 1.11 -1.08 1.04 -1.00 0.00 0.00 179.01 179.18 3abq n GLN 286 N -4.11 0.41 -3.73 2.33 6.02 -0.16 -4.97 117.38 113.16 3abq n GLN 286 Ca 0.00 0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.78 3abq n GLN 286 Cb 0.45 -1.66 0.03 0.00 1.02 0.00 0.00 30.24 30.09 3abq n GLN 286 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3abq n LYS 287 N -2.19 -5.09 -3.45 -1.09 5.02 0.10 -4.99 118.16 106.47 3abq n LYS 287 Ca 0.01 0.62 -0.14 0.00 -2.02 0.00 0.00 58.31 56.78 3abq n LYS 287 Cb 0.48 -5.25 -0.03 0.00 -0.02 0.00 0.00 35.03 30.21 3abq n LYS 287 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3abq s ALA 288 N -3.60 -1.65 0.21 7.82 0.00 -1.05 -5.05 121.76 118.43 3abq s ALA 288 Ca 0.12 0.74 -0.05 0.00 0.00 0.00 0.00 51.96 52.76 3abq s ALA 288 Cb -0.06 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3abq s ALA 288 CO 0.81 -0.65 0.24 -1.54 0.00 0.00 0.00 175.76 174.63 3abq s SER 289 N -2.28 0.08 1.97 0.00 1.04 -1.26 -4.42 113.70 108.84 3abq s SER 289 Ca -0.03 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.21 3abq s SER 289 Cb -0.01 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3abq s SER 289 CO -0.06 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3abq n GLY 290 N -0.28 3.68 0.14 7.32 0.00 -1.04 -2.27 105.19 112.74 3abq n GLY 290 Ca -0.00 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3abq n GLY 290 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3abq h ILE 291 N 0.00 0.00 -0.06 -0.61 3.07 -1.28 -3.00 117.51 115.64 3abq h ILE 291 Ca 0.00 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 66.03 3abq h ILE 291 Cb 0.00 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 3abq h ILE 291 CO 0.00 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.69 3abq n ASN 292 N -2.38 1.10 -4.90 2.16 3.02 -0.96 -4.88 115.26 108.42 3abq n ASN 292 Ca 0.03 -1.46 -0.28 0.00 -0.03 0.00 0.00 54.58 52.84 3abq n ASN 292 Cb 0.32 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 3abq n ASN 292 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3abq s MET 293 N -1.94 3.63 0.69 3.52 -1.94 -1.13 -4.70 119.30 117.43 3abq s MET 293 Ca 0.37 0.23 -0.08 0.00 -1.71 0.00 0.00 55.69 54.51 3abq s MET 293 Cb 0.19 -2.43 0.05 0.00 2.01 0.00 0.00 34.83 34.65 3abq s MET 293 CO 0.30 -0.08 1.02 0.95 -0.01 0.00 0.00 175.02 177.20 3abq s THR 294 N -2.52 2.67 0.00 2.05 -4.23 -1.26 -5.04 115.64 107.31 3abq s THR 294 Ca 0.48 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 3abq s THR 294 Cb -0.10 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.59 3abq s THR 294 CO 0.38 -0.17 0.00 0.54 -0.54 0.00 0.00 174.62 174.83