#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qty s ALA 2 N 0.00 3.31 0.35 -5.12 0.00 -1.26 -4.95 121.76 114.08 2qty s ALA 2 Ca 0.00 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.71 2qty s ALA 2 Cb 0.00 -3.24 0.75 0.00 0.00 0.00 0.00 23.12 20.63 2qty s ALA 2 CO 0.00 0.06 1.89 0.66 0.00 0.00 0.00 175.76 178.37 2qty h SER 3 N 3.69 0.70 -0.08 0.00 4.64 -2.00 -1.32 113.55 119.18 2qty h SER 3 Ca -0.46 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 2qty h SER 3 Cb 1.20 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2qty h SER 3 CO 0.66 0.39 0.01 -0.29 -0.87 0.00 0.00 176.83 176.74 2qty h ILE 4 N 0.76 1.09 -0.40 0.95 2.10 -1.99 -0.31 117.51 119.71 2qty h ILE 4 Ca 0.41 -0.33 -0.08 0.00 1.08 0.00 0.00 64.86 65.95 2qty h ILE 4 Cb 0.55 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 37.23 2qty h ILE 4 CO -0.18 0.11 -0.08 -1.28 -1.08 0.00 0.00 178.15 175.64 2qty h SER 5 N 0.20 0.67 -0.41 2.19 0.87 -1.63 -1.73 113.55 113.71 2qty h SER 5 Ca 0.05 -0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 60.30 2qty h SER 5 Cb 0.12 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2qty h SER 5 CO 0.00 0.79 -0.23 0.03 -0.53 0.00 0.00 176.83 176.89 2qty h ARG 6 N 0.64 0.92 0.27 2.24 3.08 -0.99 0.60 114.38 121.13 2qty h ARG 6 Ca 0.12 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2qty h ARG 6 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2qty h ARG 6 CO 0.03 1.05 -0.13 0.74 -1.07 0.00 0.00 179.97 180.59 2qty h PHE 7 N 0.79 -0.34 -0.60 3.04 -1.00 -0.90 0.31 116.94 118.25 2qty h PHE 7 Ca 0.10 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.90 2qty h PHE 7 Cb 0.79 0.11 -0.04 0.00 3.61 0.00 0.00 35.95 40.42 2qty h PHE 7 CO 0.05 -0.10 0.36 0.00 -1.61 0.00 0.00 178.31 177.01 2qty h ARG 8 N -0.53 0.69 -0.58 1.51 3.08 -1.37 -2.66 114.38 114.51 2qty h ARG 8 Ca -0.04 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2qty h ARG 8 Cb 0.39 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2qty h ARG 8 CO 0.06 0.46 0.14 0.78 -1.07 0.00 0.00 179.97 180.34 2qty h GLY 9 N 0.71 0.98 1.00 0.04 0.00 -0.72 -0.80 103.07 104.28 2qty h GLY 9 Ca 0.24 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2qty h GLY 9 CO -0.11 0.54 -0.34 0.00 0.00 0.00 0.00 176.54 176.63 2qty h LEU 11 N -0.97 0.23 -0.26 0.00 3.38 -1.48 -1.00 115.31 115.21 2qty h LEU 11 Ca -0.10 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2qty h LEU 11 Cb 0.73 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2qty h LEU 11 CO 0.16 0.53 0.03 0.00 0.09 0.00 0.00 178.44 179.25 2qty h ALA 12 N 1.49 0.35 -0.72 1.53 0.00 -0.99 -1.21 119.26 119.72 2qty h ALA 12 Ca 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2qty h ALA 12 Cb 0.63 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2qty h ALA 12 CO 0.05 0.06 0.33 0.78 0.00 0.00 0.00 179.25 180.46 2qty h GLY 13 N 0.25 1.11 0.94 0.00 0.00 -0.50 -0.02 103.07 104.86 2qty h GLY 13 Ca 0.08 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2qty h GLY 13 CO 0.01 0.53 0.16 0.00 0.00 0.00 0.00 176.54 177.23 2qty h ALA 14 N 1.33 0.46 -0.69 3.60 0.00 -1.08 -1.16 119.26 121.73 2qty h ALA 14 Ca 0.25 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2qty h ALA 14 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2qty h ALA 14 CO -0.03 0.05 0.14 1.25 0.00 0.00 0.00 179.25 180.66 2qty h LEU 15 N 0.44 1.07 -0.24 0.00 5.85 -0.81 -2.36 115.31 119.25 2qty h LEU 15 Ca 0.12 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2qty h LEU 15 Cb 0.16 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2qty h LEU 15 CO -0.01 1.04 0.13 -0.07 -0.34 0.00 0.00 178.44 179.19 2qty h LEU 16 N 1.05 0.30 -0.64 2.25 3.38 -0.84 -0.41 115.31 120.40 2qty h LEU 16 Ca 0.21 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.22 2qty h LEU 16 Cb 0.41 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 2qty h LEU 16 CO 0.01 0.30 0.16 1.23 0.09 0.00 0.00 178.44 180.22 2qty h GLY 17 N 0.28 0.85 0.47 0.83 0.00 -0.98 0.41 103.07 104.93 2qty h GLY 17 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2qty h GLY 17 CO -0.01 -0.12 -0.07 -1.80 0.00 0.00 0.00 176.54 174.53 2qty h ASP 18 N 0.28 0.11 0.02 0.19 3.58 -1.24 -0.64 116.42 118.71 2qty h ASP 18 Ca 0.34 -0.61 -0.00 0.00 0.42 0.00 0.00 57.03 57.18 2qty h ASP 18 Cb 0.52 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2qty h ASP 18 CO -0.42 0.70 -0.01 0.00 -2.88 0.00 0.00 179.24 176.63 2qty h VAL 20 N -0.27 1.35 0.00 0.00 2.07 -1.01 -3.19 116.25 115.20 2qty h VAL 20 Ca -0.00 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 2qty h VAL 20 Cb 0.25 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2qty h VAL 20 CO 0.00 0.57 -0.08 1.23 0.02 0.00 0.00 177.57 179.31 2qty h GLY 21 N 1.27 0.00 0.56 2.17 0.00 -0.95 -3.38 103.07 102.73 2qty h GLY 21 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 2qty h GLY 21 CO 0.10 0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.75 2qty h ALA 22 N 1.92 0.47 0.00 3.60 0.00 -1.08 -2.23 119.26 121.94 2qty h ALA 22 Ca -0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qty h ALA 22 Cb 0.81 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2qty h ALA 22 CO 0.01 -0.28 -0.00 -0.39 0.00 0.00 0.00 179.25 178.59 2qty h VAL 23 N 0.26 0.97 -0.10 0.00 -1.51 -1.81 -2.41 116.25 111.65 2qty h VAL 23 Ca 0.20 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 2qty h VAL 23 Cb 0.21 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 2qty h VAL 23 CO -0.23 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 174.89 2qty n TYR 24 N -4.49 0.11 -1.69 5.19 4.02 -0.84 -4.96 117.16 114.50 2qty n TYR 24 Ca -0.03 -0.06 -0.44 0.00 -0.01 0.00 0.00 57.90 57.36 2qty n TYR 24 Cb 0.09 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.38 2qty n TYR 24 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2qty n GLU 25 N 0.43 2.45 -0.89 -0.72 2.13 -0.91 -0.85 120.64 122.27 2qty n GLU 25 Ca 0.17 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.88 2qty n GLU 25 Cb 0.38 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.41 2qty n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qty n ALA 26 N 3.56 0.00 -2.28 4.31 0.00 0.60 -4.96 120.51 121.73 2qty n ALA 26 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2qty n ALA 26 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 2qty n ALA 26 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2qty s HIS 27 N -3.14 3.27 0.23 0.00 3.76 -0.03 -4.72 115.29 114.66 2qty s HIS 27 Ca 0.00 1.08 0.01 0.00 -0.15 0.00 0.00 55.06 56.00 2qty s HIS 27 Cb 0.00 -3.57 0.22 0.00 1.11 0.00 0.00 32.58 30.35 2qty s HIS 27 CO 0.00 -1.92 1.57 0.38 -0.85 0.00 0.00 174.74 173.92 2qty h ASP 28 N 6.94 0.46 -4.31 1.40 3.04 -1.91 0.16 116.42 122.20 2qty h ASP 28 Ca -0.41 -0.23 -0.46 0.00 -3.24 0.00 0.00 57.03 52.68 2qty h ASP 28 Cb 1.21 -0.13 -0.25 0.00 -1.04 0.00 0.00 39.33 39.11 2qty h ASP 28 CO 0.85 0.89 -0.80 0.42 -2.04 0.00 0.00 179.24 178.56 2qty s THR 29 N -3.99 1.17 -0.09 1.15 -4.23 -1.26 -4.39 115.64 103.99 2qty s THR 29 Ca -0.06 -0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 2qty s THR 29 Cb 0.12 -1.05 0.03 0.00 1.34 0.00 0.00 72.50 72.94 2qty s THR 29 CO 0.81 0.05 0.02 -0.69 -0.54 0.00 0.00 174.62 174.28 2qty s VAL 30 N -0.80 0.31 0.39 2.29 1.01 -1.26 -4.94 120.40 117.40 2qty s VAL 30 Ca 0.03 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 2qty s VAL 30 Cb -0.08 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.65 2qty s VAL 30 CO 0.01 0.15 1.06 -0.94 0.00 0.00 0.00 175.10 175.38 2qty s SER 31 N 1.99 6.77 0.21 3.32 1.04 -1.26 -4.70 113.70 121.07 2qty s SER 31 Ca 0.04 2.07 -0.09 0.00 0.48 0.00 0.00 55.95 58.45 2qty s SER 31 Cb -0.13 -2.59 0.24 0.00 0.10 0.00 0.00 66.02 63.64 2qty s SER 31 CO -0.06 -0.48 1.81 0.25 0.98 0.00 0.00 173.24 175.74 2qty h LEU 32 N 2.58 0.58 -1.04 2.42 5.85 -1.98 -2.10 115.31 121.62 2qty h LEU 32 Ca -0.48 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.36 2qty h LEU 32 Cb 1.22 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 2qty h LEU 32 CO 0.63 0.38 0.63 0.00 -0.34 0.00 0.00 178.44 179.73 2qty h ALA 33 N 1.35 1.50 0.12 1.25 0.00 -1.99 -0.52 119.26 120.97 2qty h ALA 33 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2qty h ALA 33 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qty h ALA 33 CO -0.18 0.29 -0.06 1.03 0.00 0.00 0.00 179.25 180.34 2qty h SER 34 N 1.04 -0.14 -0.84 0.00 0.87 -1.78 -1.17 113.55 111.54 2qty h SER 34 Ca 0.46 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 2qty h SER 34 Cb 0.37 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 2qty h SER 34 CO -0.22 0.03 0.40 0.58 -0.53 0.00 0.00 176.83 177.09 2qty h VAL 35 N -0.30 1.26 -0.62 2.23 2.07 -0.96 -0.12 116.25 119.82 2qty h VAL 35 Ca -0.02 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 2qty h VAL 35 Cb 0.24 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2qty h VAL 35 CO 0.03 0.32 0.03 -0.07 0.02 0.00 0.00 177.57 177.89 2qty h LEU 36 N 1.20 1.04 -1.17 2.57 3.38 -1.00 -0.96 115.31 120.38 2qty h LEU 36 Ca 0.29 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2qty h LEU 36 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2qty h LEU 36 CO -0.03 1.07 0.06 0.28 0.09 0.00 0.00 178.44 179.91 2qty h SER 37 N 0.98 0.60 0.42 -0.43 0.02 -0.91 0.06 113.55 114.29 2qty h SER 37 Ca 0.18 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2qty h SER 37 Cb 0.52 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2qty h SER 37 CO 0.03 0.63 -0.27 -0.74 -1.14 0.00 0.00 176.83 175.34 2qty h HIS 38 N 0.62 -0.70 -0.15 3.45 6.17 -0.14 -1.04 115.15 123.35 2qty h HIS 38 Ca 0.14 -0.01 -0.16 0.00 0.71 0.00 0.00 60.37 61.05 2qty h HIS 38 Cb 0.30 0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 2qty h HIS 38 CO 0.01 -0.41 -0.59 -0.39 0.71 0.00 0.00 177.93 177.27 2qty h VAL 39 N -0.66 1.34 -0.15 5.26 -1.51 -1.15 -2.09 116.25 117.28 2qty h VAL 39 Ca -0.04 -1.87 0.04 0.00 -1.23 0.00 0.00 66.70 63.60 2qty h VAL 39 Cb 0.55 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 2qty h VAL 39 CO 0.04 0.57 0.12 -0.33 -1.23 0.00 0.00 177.57 176.74 2qty h GLU 40 N 0.38 0.00 0.00 5.19 5.08 -0.86 -0.34 114.58 124.02 2qty h GLU 40 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qty h GLU 40 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2qty h GLU 40 CO 0.11 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.78 2qty h SER 41 N 0.00 0.00 1.43 1.42 4.64 -0.45 -2.47 113.55 118.11 2qty h SER 41 Ca 0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 2qty h SER 41 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2qty h SER 41 CO -0.00 0.00 -0.26 -0.07 -0.87 0.00 0.00 176.83 175.63 2qty h LEU 42 N 0.00 0.00-10.06 5.97 3.38 -1.13 -3.46 115.31 110.01 2qty h LEU 42 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 2qty h LEU 42 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2qty h LEU 42 CO 0.00 0.26 0.35 -1.61 0.09 0.00 0.00 178.44 177.53 2qty s GLU 43 N -3.27 4.12 -0.54 1.13 0.41 -0.93 -4.72 118.70 114.89 2qty s GLU 43 Ca 0.04 1.20 -0.27 0.00 -0.41 0.00 0.00 54.97 55.52 2qty s GLU 43 Cb 0.08 -2.18 -0.00 0.00 -1.78 0.00 0.00 34.13 30.25 2qty s GLU 43 CO 0.68 -0.14 1.63 -2.14 -0.49 0.00 0.00 175.26 174.81 2qty s PRO 44 N -3.16 3.07 0.00 0.39 0.02 -1.26 -5.06 135.00 129.00 2qty s PRO 44 Ca 0.63 0.66 0.00 0.00 0.02 0.00 0.00 61.00 62.31 2qty s PRO 44 Cb -0.11 -4.23 0.00 0.00 0.02 0.00 0.00 34.50 30.18 2qty s PRO 44 CO 0.15 -2.20 0.00 0.39 -0.33 0.00 0.00 177.00 175.01 2qty n GLU 55 N 8.82 0.00 -2.86 5.54 1.02 -1.26 -5.17 120.64 126.74 2qty n GLU 55 Ca 0.17 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.11 2qty n GLU 55 Cb 0.50 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.94 2qty n GLU 55 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2qty s THR 56 N 0.00 3.03 -0.26 2.62 -4.23 -1.26 -5.08 115.64 110.46 2qty s THR 56 Ca 0.00 -0.78 -0.21 0.00 -1.18 0.00 0.00 61.69 59.52 2qty s THR 56 Cb 0.00 -3.09 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 2qty s THR 56 CO 0.00 -0.05 0.67 -0.76 -0.54 0.00 0.00 174.62 173.94 2qty s LEU 57 N -4.56 4.07 0.29 4.79 1.43 0.40 -4.94 118.68 120.16 2qty s LEU 57 Ca 0.55 0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 54.23 2qty s LEU 57 Cb -0.10 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.11 2qty s LEU 57 CO 0.36 -0.42 0.72 -0.31 0.23 0.00 0.00 176.35 176.93 2qty s TYR 58 N 2.59 3.44 0.67 0.29 2.02 -1.26 -1.14 117.35 123.96 2qty s TYR 58 Ca 0.28 1.23 -0.02 0.00 -0.37 0.00 0.00 57.07 58.19 2qty s TYR 58 Cb -0.15 -2.53 0.08 0.00 -0.40 0.00 0.00 41.96 38.96 2qty s TYR 58 CO 0.09 0.16 0.94 1.52 -1.57 0.00 0.00 175.55 176.69 2qty s TYR 59 N -1.87 2.33 0.00 2.71 -0.85 -1.26 -4.58 117.35 113.83 2qty s TYR 59 Ca 0.51 0.01 0.00 0.00 -0.52 0.00 0.00 57.07 57.07 2qty s TYR 59 Cb -0.12 -3.02 0.00 0.00 0.38 0.00 0.00 41.96 39.21 2qty s TYR 59 CO 0.18 -1.40 0.00 0.25 -1.52 0.00 0.00 175.55 173.06 2qty n THR 60 N -2.73 0.00 -0.28 -3.49 -2.24 -1.26 -4.95 114.28 99.33 2qty n THR 60 Ca 0.11 0.00 0.24 0.00 -2.27 0.00 0.00 64.05 62.13 2qty n THR 60 Cb 0.60 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 69.39 2qty n THR 60 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2qty h ASP 61 N 0.00 0.33 -0.36 3.42 2.03 -1.73 -1.05 116.42 119.06 2qty h ASP 61 Ca 0.00 0.05 0.02 0.00 -0.73 0.00 0.00 57.03 56.36 2qty h ASP 61 Cb 0.00 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 38.47 2qty h ASP 61 CO 0.00 0.09 0.21 0.44 -1.03 0.00 0.00 179.24 178.95 2qty h ASP 62 N 0.31 0.34 -0.06 4.15 3.45 -1.92 0.12 116.42 122.81 2qty h ASP 62 Ca 0.53 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.84 2qty h ASP 62 Cb 1.50 -0.07 0.01 0.00 -0.56 0.00 0.00 39.33 40.21 2qty h ASP 62 CO -0.19 0.25 -0.56 0.74 -1.57 0.00 0.00 179.24 177.91 2qty h THR 63 N 0.43 1.39 -0.76 0.35 2.02 -1.73 -1.27 112.91 113.34 2qty h THR 63 Ca 0.14 -1.94 0.12 0.00 0.77 0.00 0.00 66.41 65.51 2qty h THR 63 Cb 0.00 2.36 -0.08 0.00 -1.74 0.00 0.00 68.15 68.69 2qty h THR 63 CO -0.07 0.57 0.35 0.00 0.37 0.00 0.00 175.52 176.75 2qty h ALA 64 N 0.41 1.07 -0.03 6.16 0.00 -1.02 0.42 119.26 126.27 2qty h ALA 64 Ca -0.05 0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2qty h ALA 64 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qty h ALA 64 CO 0.11 -0.11 -0.90 0.52 0.00 0.00 0.00 179.25 178.87 2qty h MET 65 N 0.55 0.46 -0.28 0.00 2.86 -0.74 -1.54 114.93 116.24 2qty h MET 65 Ca 0.40 -0.46 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 2qty h MET 65 Cb 0.52 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 2qty h MET 65 CO -0.34 1.11 -0.09 1.15 1.06 0.00 0.00 176.91 179.80 2qty h THR 66 N 0.28 0.67 -0.50 2.22 2.02 -0.63 -0.22 112.91 116.74 2qty h THR 66 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2qty h THR 66 Cb 1.52 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 2qty h THR 66 CO 0.16 0.00 0.27 0.03 0.37 0.00 0.00 175.52 176.34 2qty h ARG 67 N -0.03 0.71 -0.83 6.66 3.08 -0.87 -0.83 114.38 122.27 2qty h ARG 67 Ca 0.14 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2qty h ARG 67 Cb 0.25 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2qty h ARG 67 CO -0.31 0.56 0.41 0.00 -1.07 0.00 0.00 179.97 179.56 2qty h ALA 68 N 1.10 1.07 -0.14 0.04 0.00 -1.05 0.24 119.26 120.53 2qty h ALA 68 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qty h ALA 68 Cb 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2qty h ALA 68 CO -0.03 0.63 0.03 1.25 0.00 0.00 0.00 179.25 181.13 2qty h LEU 69 N 1.18 0.22 -0.70 0.00 6.46 -0.70 -1.75 115.31 120.02 2qty h LEU 69 Ca 0.29 -0.24 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 2qty h LEU 69 Cb 0.11 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 2qty h LEU 69 CO -0.04 0.40 0.29 0.58 -0.62 0.00 0.00 178.44 179.05 2qty h VAL 70 N 0.03 1.24 -0.94 1.05 2.07 -0.98 -2.27 116.25 116.44 2qty h VAL 70 Ca 0.04 -0.74 0.12 0.00 0.82 0.00 0.00 66.70 66.95 2qty h VAL 70 Cb 0.27 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 2qty h VAL 70 CO 0.00 0.30 0.57 1.56 0.02 0.00 0.00 177.57 180.02 2qty h GLN 71 N 0.99 0.87 -0.21 1.57 1.08 -0.33 -0.53 115.11 118.54 2qty h GLN 71 Ca 0.23 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.34 2qty h GLN 71 Cb 0.19 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2qty h GLN 71 CO -0.02 0.57 -0.04 1.03 -0.95 0.00 0.00 178.83 179.42 2qty h SER 72 N 0.89 0.40 -0.75 1.46 0.87 -1.07 -0.56 113.55 114.79 2qty h SER 72 Ca 0.48 -0.36 0.06 0.00 -1.23 0.00 0.00 61.79 60.74 2qty h SER 72 Cb 0.50 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.29 2qty h SER 72 CO -0.28 0.67 0.44 -0.07 -0.53 0.00 0.00 176.83 177.06 2qty h LEU 73 N 0.13 0.68 -0.32 2.23 3.38 -0.89 -1.73 115.31 118.79 2qty h LEU 73 Ca 0.05 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 2qty h LEU 73 Cb 0.49 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2qty h LEU 73 CO 0.02 0.43 -0.58 -0.07 0.09 0.00 0.00 178.44 178.33 2qty h LEU 74 N 0.81 0.91 -0.57 1.67 3.38 -1.01 0.26 115.31 120.76 2qty h LEU 74 Ca 0.33 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2qty h LEU 74 Cb 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2qty h LEU 74 CO -0.18 1.29 0.24 0.00 0.09 0.00 0.00 178.44 179.88 2qty h ALA 75 N 0.73 0.75 -0.00 1.53 0.00 -0.87 -3.17 119.26 118.21 2qty h ALA 75 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qty h ALA 75 Cb 1.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qty h ALA 75 CO 0.12 0.35 -0.80 1.63 0.00 0.00 0.00 179.25 180.56 2qty n LYS 76 N -4.49 0.65 -2.99 0.00 4.76 -0.67 -4.96 118.16 110.46 2qty n LYS 76 Ca 0.03 -0.30 -0.20 0.00 -2.87 0.00 0.00 58.31 54.97 2qty n LYS 76 Cb 0.16 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 2qty n LYS 76 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qty n GLU 77 N -1.03 -3.37 -3.60 1.97 1.02 0.90 -4.91 120.64 111.62 2qty n GLU 77 Ca 0.05 0.63 -0.03 0.00 -0.02 0.00 0.00 57.16 57.80 2qty n GLU 77 Cb 0.35 -5.35 -0.02 0.00 -0.02 0.00 0.00 31.44 26.41 2qty n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qty s ALA 78 N -2.91 -2.13 0.01 0.62 0.00 -1.06 -5.03 121.76 111.27 2qty s ALA 78 Ca 0.25 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.34 2qty s ALA 78 Cb -0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 2qty s ALA 78 CO 0.31 -0.70 1.58 0.12 0.00 0.00 0.00 175.76 177.07 2qty s PHE 79 N -2.38 2.42 -0.18 0.00 5.36 -1.26 -4.30 117.98 117.64 2qty s PHE 79 Ca 0.11 0.42 -0.03 0.00 -0.96 0.00 0.00 56.93 56.47 2qty s PHE 79 Cb 0.00 -3.86 0.06 0.00 -0.34 0.00 0.00 43.02 38.88 2qty s PHE 79 CO -0.04 -3.46 0.05 0.34 -1.46 0.00 0.00 175.22 170.65 2qty s ASP 80 N 2.53 2.69 0.23 6.13 -1.08 -1.26 -5.04 116.67 120.86 2qty s ASP 80 Ca 0.71 -0.72 -0.03 0.00 -0.52 0.00 0.00 52.55 51.99 2qty s ASP 80 Cb -0.35 -0.50 0.23 0.00 -1.46 0.00 0.00 42.92 40.83 2qty s ASP 80 CO 0.30 -0.31 1.64 1.05 0.52 0.00 0.00 175.17 178.37 2qty h GLU 81 N 8.29 0.70 -0.07 4.34 4.11 -1.98 -1.80 114.58 128.17 2qty h GLU 81 Ca -0.16 -0.28 -0.08 0.00 0.07 0.00 0.00 59.36 58.90 2qty h GLU 81 Cb 1.13 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2qty h GLU 81 CO 0.32 0.88 -0.29 0.28 0.07 0.00 0.00 179.01 180.27 2qty h VAL 82 N 0.61 1.42 -0.23 -1.06 2.07 -1.99 -1.72 116.25 115.36 2qty h VAL 82 Ca 0.08 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 65.98 2qty h VAL 82 Cb 0.74 2.30 -0.07 0.00 -1.52 0.00 0.00 31.29 32.75 2qty h VAL 82 CO 0.06 0.48 -0.21 -0.78 0.02 0.00 0.00 177.57 177.14 2qty h ASP 83 N -0.17 -0.67 -0.32 0.57 3.58 -1.97 -1.33 116.42 116.11 2qty h ASP 83 Ca -0.02 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 2qty h ASP 83 Cb 0.93 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 2qty h ASP 83 CO 0.06 -0.25 0.02 -0.03 -2.88 0.00 0.00 179.24 176.16 2qty h MET 84 N -0.22 0.54 -0.24 0.28 4.05 -1.32 0.10 114.93 118.13 2qty h MET 84 Ca 0.13 -0.16 0.04 0.00 -0.28 0.00 0.00 59.70 59.43 2qty h MET 84 Cb 0.42 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 2qty h MET 84 CO -0.35 0.66 0.01 0.00 0.23 0.00 0.00 176.91 177.46 2qty h ALA 85 N 0.86 0.22 -0.52 0.39 0.00 -1.20 0.83 119.26 119.84 2qty h ALA 85 Ca 0.09 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2qty h ALA 85 Cb 0.40 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2qty h ALA 85 CO 0.01 -0.41 -0.02 0.45 0.00 0.00 0.00 179.25 179.28 2qty h HIS 86 N 0.09 0.97 -0.69 0.00 -0.00 -1.01 -1.83 115.15 112.67 2qty h HIS 86 Ca 0.11 -0.16 -0.04 0.00 -0.00 0.00 0.00 60.37 60.28 2qty h HIS 86 Cb 0.13 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 2qty h HIS 86 CO -0.18 0.89 0.27 0.00 -0.00 0.00 0.00 177.93 178.91 2qty h ARG 87 N 0.82 1.04 -0.03 2.45 3.08 -0.46 0.60 114.38 121.88 2qty h ARG 87 Ca 0.15 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2qty h ARG 87 Cb 0.52 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2qty h ARG 87 CO 0.03 0.87 -0.06 0.74 -1.07 0.00 0.00 179.97 180.47 2qty h PHE 88 N 0.99 -0.16 -0.46 3.04 0.04 -0.54 -1.16 116.94 118.70 2qty h PHE 88 Ca 0.23 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.92 2qty h PHE 88 Cb 0.22 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 2qty h PHE 88 CO 0.02 -0.10 -0.07 0.00 -0.60 0.00 0.00 178.31 177.55 2qty h ALA 89 N 0.92 1.01 -0.12 2.45 0.00 -1.09 -1.96 119.26 120.47 2qty h ALA 89 Ca 0.04 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 2qty h ALA 89 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2qty h ALA 89 CO -0.09 0.60 -0.61 1.96 0.00 0.00 0.00 179.25 181.11 2qty h GLN 90 N 0.74 0.41 -0.52 0.00 1.08 -0.74 -1.34 115.11 114.74 2qty h GLN 90 Ca 0.13 -0.29 -0.12 0.00 -1.45 0.00 0.00 58.65 56.92 2qty h GLN 90 Cb 0.55 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 2qty h GLN 90 CO 0.03 0.90 -0.15 1.49 -0.95 0.00 0.00 178.83 180.15 2qty h GLU 91 N 0.31 1.02 -0.26 1.46 4.57 -1.01 0.17 114.58 120.84 2qty h GLU 91 Ca -0.01 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 2qty h GLU 91 Cb 1.15 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 2qty h GLU 91 CO 0.11 1.08 0.12 -0.92 -1.18 0.00 0.00 179.01 178.23 2qty h TYR 92 N 0.88 0.37 -0.68 0.92 3.20 -1.24 0.32 116.97 120.74 2qty h TYR 92 Ca 0.13 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.02 2qty h TYR 92 Cb 0.73 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 2qty h TYR 92 CO 0.05 0.34 0.41 -0.22 -1.64 0.00 0.00 178.16 177.10 2qty h LYS 93 N 0.28 0.76 -0.29 1.82 3.64 -0.95 -1.02 116.57 120.81 2qty h LYS 93 Ca 0.09 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2qty h LYS 93 Cb 0.11 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2qty h LYS 93 CO -0.01 0.50 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.33 2qty h LYS 94 N 0.78 0.60 -2.22 1.90 3.64 -0.46 -3.39 116.57 117.43 2qty h LYS 94 Ca 0.29 -0.25 -0.58 0.00 -1.27 0.00 0.00 60.65 58.83 2qty h LYS 94 Cb 0.09 -0.02 -0.39 0.00 -0.41 0.00 0.00 32.23 31.50 2qty h LYS 94 CO -0.14 0.82 -1.03 -3.47 -2.27 0.00 0.00 179.45 173.37 2qty n ASP 95 N -4.43 -0.12 0.14 4.20 2.03 0.08 -4.99 116.55 113.47 2qty n ASP 95 Ca -0.03 -2.53 0.13 0.00 0.52 0.00 0.00 54.79 52.88 2qty n ASP 95 Cb 0.36 -0.59 0.43 0.00 -0.72 0.00 0.00 41.12 40.59 2qty n ASP 95 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2qty h PRO 96 N 4.92 0.00 -0.73 -0.67 0.13 -1.39 -3.34 132.00 130.92 2qty h PRO 96 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2qty h PRO 96 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2qty h PRO 96 CO 0.42 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.94 2qty n ASP 97 N -2.44 4.10 0.00 1.44 8.00 -1.26 -4.42 116.55 121.96 2qty n ASP 97 Ca 0.04 -2.61 0.10 0.00 0.71 0.00 0.00 54.79 53.04 2qty n ASP 97 Cb 0.37 -0.62 0.54 0.00 -0.02 0.00 0.00 41.12 41.39 2qty n ASP 97 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qty n ARG 98 N 0.41 0.31 0.00 -1.24 5.12 -1.25 -4.83 116.66 115.18 2qty n ARG 98 Ca 0.18 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 2qty n ARG 98 Cb 0.87 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 2qty n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qty n GLY 99 N 0.53 1.38 3.77 -0.13 0.00 -1.26 -2.48 105.19 106.99 2qty n GLY 99 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2qty n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qty s TYR 100 N -2.00 2.73 0.44 1.61 2.02 -1.26 -4.58 117.35 116.31 2qty s TYR 100 Ca 0.00 1.49 -0.25 0.00 -0.37 0.00 0.00 57.07 57.95 2qty s TYR 100 Cb 0.00 -3.49 -0.08 0.00 -0.40 0.00 0.00 41.96 38.00 2qty s TYR 100 CO 0.00 -1.85 1.28 0.20 -1.57 0.00 0.00 175.55 173.61 2qty s GLY 101 N -1.25 2.89 0.49 0.71 0.00 -1.26 -4.92 107.32 103.98 2qty s GLY 101 Ca 0.65 1.18 0.15 0.00 0.00 0.00 0.00 44.72 46.71 2qty s GLY 101 CO 0.38 1.73 2.09 0.00 0.00 0.00 0.00 173.10 177.31 2qty h ALA 102 N 2.33 1.89 -0.18 3.20 0.00 -2.03 -3.06 119.26 121.41 2qty h ALA 102 Ca -0.50 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2qty h ALA 102 Cb 1.26 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qty h ALA 102 CO 0.61 0.08 -0.11 0.78 0.00 0.00 0.00 179.25 180.62 2qty h GLY 103 N 0.20 0.43 2.00 0.00 0.00 -2.04 -3.25 103.07 100.40 2qty h GLY 103 Ca 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2qty h GLY 103 CO 0.01 0.36 -0.15 -0.24 0.00 0.00 0.00 176.54 176.52 2qty h VAL 104 N 0.07 0.35 -0.82 4.60 3.04 -1.91 -3.13 116.25 118.46 2qty h VAL 104 Ca 0.04 -0.94 0.08 0.00 -1.01 0.00 0.00 66.70 64.87 2qty h VAL 104 Cb 0.61 1.71 -0.07 0.00 -2.01 0.00 0.00 31.29 31.53 2qty h VAL 104 CO 0.03 0.14 0.48 0.40 -1.01 0.00 0.00 177.57 177.61 2qty h ILE 105 N 0.00 0.97 -0.79 3.17 2.04 -1.58 0.49 117.51 121.80 2qty h ILE 105 Ca -0.00 -0.29 0.17 0.00 1.00 0.00 0.00 64.86 65.74 2qty h ILE 105 Cb 0.70 0.05 -0.11 0.00 -0.74 0.00 0.00 36.82 36.72 2qty h ILE 105 CO 0.02 0.15 0.29 0.71 0.00 0.00 0.00 178.15 179.32 2qty h THR 106 N 0.84 0.57 -0.23 -0.27 1.35 -1.72 -0.23 112.91 113.23 2qty h THR 106 Ca 0.38 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 66.09 2qty h THR 106 Cb 0.27 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.83 2qty h THR 106 CO -0.21 0.07 0.11 0.58 -0.25 0.00 0.00 175.52 175.82 2qty h VAL 107 N 0.39 1.14 -0.64 6.82 2.07 -1.07 -2.43 116.25 122.53 2qty h VAL 107 Ca 0.45 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2qty h VAL 107 Cb 0.76 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2qty h VAL 107 CO -0.47 0.14 0.41 -0.26 0.02 0.00 0.00 177.57 177.42 2qty h PHE 108 N 0.24 0.78 -0.55 1.57 0.04 -0.92 0.47 116.94 118.56 2qty h PHE 108 Ca 0.08 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 2qty h PHE 108 Cb 0.12 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 2qty h PHE 108 CO -0.02 0.47 0.21 0.87 -0.60 0.00 0.00 178.31 179.25 2qty h LYS 109 N 0.83 0.80 -0.28 1.51 1.57 -0.96 -0.60 116.57 119.45 2qty h LYS 109 Ca 0.24 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2qty h LYS 109 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2qty h LYS 109 CO -0.07 0.66 -0.21 0.87 -0.57 0.00 0.00 179.45 180.14 2qty h LYS 110 N 0.79 0.63 0.00 3.15 1.57 -0.96 -3.05 116.57 118.70 2qty h LYS 110 Ca 0.19 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2qty h LYS 110 Cb 0.17 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2qty h LYS 110 CO -0.02 0.90 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.58 2qty h LEU 111 N 0.36 0.00 -0.52 2.94 3.38 -0.39 -1.98 115.31 119.10 2qty h LEU 111 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qty h LEU 111 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2qty h LEU 111 CO 0.05 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.88 2qty n LEU 112 N -4.37 0.58 -4.63 1.67 4.77 -0.28 -4.62 117.00 110.11 2qty n LEU 112 Ca -0.03 0.63 -0.43 0.00 -0.03 0.00 0.00 56.01 56.16 2qty n LEU 112 Cb 0.19 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2qty n LEU 112 CO 0.35 -0.47 1.21 0.21 -1.33 0.00 0.00 177.39 177.36 2qty s ASN 113 N -4.08 6.60 0.56 -1.43 3.84 -0.75 -4.88 114.94 114.81 2qty s ASN 113 Ca 0.05 1.41 0.36 0.00 0.21 0.00 0.00 52.86 54.89 2qty s ASN 113 Cb 0.10 -2.54 1.65 0.00 -0.55 0.00 0.00 41.25 39.91 2qty s ASN 113 CO 0.40 -1.11 2.07 1.55 -2.79 0.00 0.00 177.10 177.22 2qty h PRO 114 N 9.67 0.00 0.00 0.43 0.13 -1.87 0.27 132.00 140.63 2qty h PRO 114 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2qty h PRO 114 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2qty h PRO 114 CO 1.02 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.42 2qty n LYS 115 N -3.01 0.69 -2.71 0.86 5.02 -1.26 -4.62 118.16 113.13 2qty n LYS 115 Ca -0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 2qty n LYS 115 Cb 0.22 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 2qty n LYS 115 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qty h ARG 117 N 9.69 0.15 -4.65 0.00 3.08 -1.87 -3.42 114.38 117.36 2qty h ARG 117 Ca -0.16 -0.26 -0.71 0.00 0.07 0.00 0.00 59.98 58.92 2qty h ARG 117 Cb 1.05 0.10 -0.20 0.00 0.08 0.00 0.00 29.97 30.99 2qty h ARG 117 CO 1.25 0.94 -0.02 0.34 -1.07 0.00 0.00 179.97 181.41 2qty s ASP 118 N -6.71 6.19 0.02 7.04 2.15 -1.26 -4.93 116.67 119.18 2qty s ASP 118 Ca -0.08 -1.27 0.15 0.00 0.43 0.00 0.00 52.55 51.78 2qty s ASP 118 Cb 0.08 -2.27 0.64 0.00 -0.30 0.00 0.00 42.92 41.07 2qty s ASP 118 CO 0.83 -0.93 1.48 1.33 -0.17 0.00 0.00 175.17 177.71 2qty n VAL 119 N 5.48 1.01 1.02 1.11 0.24 -1.26 -1.94 118.33 123.98 2qty n VAL 119 Ca -0.09 0.25 0.11 0.00 -2.04 0.00 0.00 64.34 62.57 2qty n VAL 119 Cb 0.43 -1.03 0.13 0.00 -1.47 0.00 0.00 33.84 31.91 2qty n VAL 119 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qty n TYR 120 N -1.57 0.00 -0.05 6.34 4.02 -1.26 -4.54 117.16 120.09 2qty n TYR 120 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.80 2qty n TYR 120 Cb 0.17 -0.15 -0.06 0.00 -0.02 0.00 0.00 39.34 39.28 2qty n TYR 120 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2qty h GLU 121 N 0.21 0.28 -0.50 -0.72 4.81 -1.76 -2.49 114.58 114.41 2qty h GLU 121 Ca 0.00 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2qty h GLU 121 Cb 0.51 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2qty h GLU 121 CO 0.00 0.53 0.15 -1.35 -0.73 0.00 0.00 179.01 177.61 2qty h PRO 122 N -0.01 0.29 -0.65 0.92 0.11 -1.80 -0.86 132.00 130.01 2qty h PRO 122 Ca 0.04 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2qty h PRO 122 Cb 0.42 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 2qty h PRO 122 CO 0.01 0.20 0.23 0.00 -0.21 0.00 0.00 178.00 178.23 2qty h ALA 123 N 1.36 1.19 -0.54 -0.75 0.00 -1.77 -2.19 119.26 116.56 2qty h ALA 123 Ca 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2qty h ALA 123 Cb 0.30 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2qty h ALA 123 CO -0.28 0.58 0.16 -0.09 0.00 0.00 0.00 179.25 179.62 2qty h ARG 124 N 0.94 0.82 0.00 0.00 2.43 -0.85 -2.93 114.38 114.79 2qty h ARG 124 Ca 0.22 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2qty h ARG 124 Cb 0.22 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2qty h ARG 124 CO -0.01 0.72 -0.15 0.00 -1.51 0.00 0.00 179.97 179.02 2qty h ALA 125 N 1.38 0.95 -2.97 2.80 0.00 -0.55 -3.33 119.26 117.55 2qty h ALA 125 Ca 0.18 -0.13 -0.56 0.00 0.00 0.00 0.00 54.91 54.39 2qty h ALA 125 Cb 0.25 -0.02 0.16 0.00 0.00 0.00 0.00 17.79 18.18 2qty h ALA 125 CO -0.01 0.18 0.32 1.04 0.00 0.00 0.00 179.25 180.79 2qty n GLN 126 N -3.20 1.02 -3.93 0.00 1.13 -1.08 -1.25 117.38 110.07 2qty n GLN 126 Ca 0.02 0.40 -0.29 0.00 -1.94 0.00 0.00 57.00 55.18 2qty n GLN 126 Cb 0.48 -2.35 -0.01 0.00 0.11 0.00 0.00 30.24 28.47 2qty n GLN 126 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2qty n PHE 127 N -1.81 -1.65 -3.45 1.08 3.01 -1.26 -0.48 117.46 112.90 2qty n PHE 127 Ca 0.15 0.60 -0.19 0.00 1.01 0.00 0.00 57.45 59.01 2qty n PHE 127 Cb 0.48 -3.50 0.08 0.00 -0.01 0.00 0.00 39.48 36.53 2qty n PHE 127 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2qty n ASN 128 N -2.82 -3.96 0.00 4.37 4.13 -1.19 -2.58 115.26 113.21 2qty n ASN 128 Ca -0.24 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.46 2qty n ASN 128 Cb 0.65 -4.86 0.00 0.00 -1.54 0.00 0.00 39.78 34.03 2qty n ASN 128 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qty n GLY 129 N -1.50 0.73 0.08 7.41 0.00 -0.38 -4.87 105.19 106.65 2qty n GLY 129 Ca -0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2qty n GLY 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qty n LYS 130 N -2.10 0.60 0.00 1.61 4.76 -0.91 -4.75 118.16 117.37 2qty n LYS 130 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2qty n LYS 130 Cb 0.02 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 2qty n LYS 130 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qty n GLY 131 N 1.21 -2.48 3.75 0.72 0.00 0.36 -3.57 105.19 105.19 2qty n GLY 131 Ca -0.01 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 2qty n GLY 131 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qty s SER 132 N -3.88 7.58 -0.14 1.61 0.15 -1.26 -4.39 113.70 113.36 2qty s SER 132 Ca 0.00 1.99 0.15 0.00 0.70 0.00 0.00 55.95 58.80 2qty s SER 132 Cb 0.00 -2.61 0.51 0.00 -1.71 0.00 0.00 66.02 62.21 2qty s SER 132 CO 0.00 0.10 1.42 0.00 1.20 0.00 0.00 173.24 175.96 2qty n TYR 133 N 1.53 0.95 -0.64 3.44 0.18 -1.26 -3.15 117.16 118.21 2qty n TYR 133 Ca -0.02 -0.78 -0.30 0.00 1.88 0.00 0.00 57.90 58.69 2qty n TYR 133 Cb 0.47 -0.27 0.26 0.00 -0.38 0.00 0.00 39.34 39.43 2qty n TYR 133 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2qty s GLY 134 N -1.62 1.49 0.00 -7.48 0.00 -1.26 -1.13 107.32 97.32 2qty s GLY 134 Ca 0.39 -0.71 0.20 0.00 0.00 0.00 0.00 44.72 44.61 2qty s GLY 134 CO 0.11 0.20 1.49 1.16 0.00 0.00 0.00 173.10 176.06 2qty n ASN 135 N -5.20 1.91 -0.16 1.64 0.23 0.43 -4.09 115.26 110.03 2qty n ASN 135 Ca 0.10 -1.78 0.13 0.00 -0.53 0.00 0.00 54.58 52.50 2qty n ASN 135 Cb 0.59 -0.14 0.48 0.00 -2.08 0.00 0.00 39.78 38.62 2qty n ASN 135 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2qty h GLY 136 N 4.99 0.75 1.77 4.83 0.00 -1.93 -0.38 103.07 113.10 2qty h GLY 136 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 2qty h GLY 136 CO 0.00 0.09 -0.34 -1.33 0.00 0.00 0.00 176.54 174.96 2qty h GLY 137 N 0.48 0.28 1.50 4.60 0.00 -1.85 -3.30 103.07 104.78 2qty h GLY 137 Ca 0.35 -0.25 -0.27 0.00 0.00 0.00 0.00 47.33 47.16 2qty h GLY 137 CO -0.11 0.22 -1.35 0.00 0.00 0.00 0.00 176.54 175.30 2qty h ALA 138 N 1.42 0.35 0.00 3.60 0.00 -1.61 -3.31 119.26 119.72 2qty h ALA 138 Ca 0.03 -1.07 -0.03 0.00 0.00 0.00 0.00 54.91 53.84 2qty h ALA 138 Cb 0.71 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2qty h ALA 138 CO 0.05 1.22 -0.13 0.00 0.00 0.00 0.00 179.25 180.40 2qty h MET 139 N 0.04 0.00 -0.06 0.00 3.00 -1.18 -2.83 114.93 113.90 2qty h MET 139 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.54 2qty h MET 139 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 31.60 33.53 2qty h MET 139 CO 0.14 0.13 0.00 2.89 0.00 0.00 0.00 176.91 180.07 2qty n ARG 140 N -3.63 0.68 0.00 -0.10 1.85 -1.26 -4.77 116.66 109.43 2qty n ARG 140 Ca -0.02 -1.18 0.13 0.00 -1.00 0.00 0.00 57.85 55.78 2qty n ARG 140 Cb 0.25 -1.18 0.45 0.00 -1.05 0.00 0.00 32.46 30.93 2qty n ARG 140 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 2qty n VAL 141 N 0.47 0.01 -0.34 8.89 3.14 -1.07 -4.24 118.33 125.19 2qty n VAL 141 Ca 0.06 -0.01 0.18 0.00 -2.96 0.00 0.00 64.34 61.62 2qty n VAL 141 Cb 0.25 -0.17 0.41 0.00 -1.06 0.00 0.00 33.84 33.28 2qty n VAL 141 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qty h ALA 142 N 2.99 1.91 -0.88 1.55 0.00 -1.86 -1.67 119.26 121.30 2qty h ALA 142 Ca 0.00 0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.16 2qty h ALA 142 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2qty h ALA 142 CO 0.00 -0.35 0.57 0.78 0.00 0.00 0.00 179.25 180.25 2qty h GLY 143 N 0.55 1.11 0.72 0.00 0.00 -1.92 -0.52 103.07 103.01 2qty h GLY 143 Ca 0.62 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.73 2qty h GLY 143 CO -0.40 0.06 0.32 -2.22 0.00 0.00 0.00 176.54 174.31 2qty h ILE 144 N 0.61 0.98 0.00 2.60 1.08 -1.61 -0.11 117.51 121.05 2qty h ILE 144 Ca 0.45 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.71 2qty h ILE 144 Cb 0.82 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 2qty h ILE 144 CO -0.20 0.11 0.00 0.28 -0.69 0.00 0.00 178.15 177.65 2qty h SER 145 N 0.62 0.00 0.79 1.72 0.02 -1.19 -1.19 113.55 114.31 2qty h SER 145 Ca 0.26 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.96 2qty h SER 145 Cb 0.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2qty h SER 145 CO -0.16 0.00 -1.23 -0.07 -1.14 0.00 0.00 176.83 174.23 2qty h LEU 146 N 0.00 0.11 0.00 5.07 3.38 -1.07 -3.37 115.31 119.44 2qty h LEU 146 Ca 0.00 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 2qty h LEU 146 Cb 0.63 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2qty h LEU 146 CO 0.00 1.11 -1.11 0.00 0.09 0.00 0.00 178.44 178.53 2qty h ALA 147 N 0.87 0.61 -3.28 1.53 0.00 -0.60 -3.45 119.26 114.94 2qty h ALA 147 Ca -0.11 -0.86 -0.63 0.00 0.00 0.00 0.00 54.91 53.31 2qty h ALA 147 Cb 1.87 0.11 -0.36 0.00 0.00 0.00 0.00 17.79 19.42 2qty h ALA 147 CO 0.14 1.03 -0.83 0.71 0.00 0.00 0.00 179.25 180.30 2qty s TYR 148 N -2.83 2.54 -0.24 0.00 1.51 -0.49 -4.87 117.35 112.97 2qty s TYR 148 Ca -0.00 -1.58 0.20 0.00 -1.01 0.00 0.00 57.07 54.68 2qty s TYR 148 Cb 0.09 -1.74 0.05 0.00 -0.11 0.00 0.00 41.96 40.25 2qty s TYR 148 CO 0.80 -0.76 1.17 0.66 -1.11 0.00 0.00 175.55 176.31 2qty h SER 149 N 7.97 0.00 -3.53 2.29 4.64 -1.87 -3.42 113.55 119.63 2qty h SER 149 Ca -0.35 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.45 2qty h SER 149 Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2qty h SER 149 CO 0.54 0.22 0.32 -0.55 -0.87 0.00 0.00 176.83 176.49 2qty s SER 150 N -5.82 7.44 0.41 4.97 0.15 -1.26 -4.96 113.70 114.63 2qty s SER 150 Ca 0.01 1.72 0.09 0.00 0.70 0.00 0.00 55.95 58.47 2qty s SER 150 Cb 0.08 -2.56 0.86 0.00 -1.71 0.00 0.00 66.02 62.69 2qty s SER 150 CO 0.76 -0.07 1.99 1.62 1.20 0.00 0.00 173.24 178.75 2qty h VAL 151 N 4.12 1.13 -0.62 4.45 3.04 -1.99 0.21 116.25 126.59 2qty h VAL 151 Ca -0.43 -0.47 0.03 0.00 -1.01 0.00 0.00 66.70 64.82 2qty h VAL 151 Cb 1.21 0.93 -0.04 0.00 -2.01 0.00 0.00 31.29 31.38 2qty h VAL 151 CO 0.72 0.16 0.37 1.56 -1.01 0.00 0.00 177.57 179.38 2qty h GLN 152 N 0.32 0.71 0.04 4.17 4.20 -1.99 -2.34 115.11 120.23 2qty h GLN 152 Ca 0.08 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.49 2qty h GLN 152 Cb 0.17 -0.16 0.02 0.00 0.30 0.00 0.00 27.48 27.82 2qty h GLN 152 CO 0.00 0.47 -1.04 -0.44 -0.67 0.00 0.00 178.83 177.15 2qty h ASP 153 N 0.73 0.84 -0.21 1.46 3.32 -1.68 -2.08 116.42 118.79 2qty h ASP 153 Ca 0.25 -0.77 0.05 0.00 0.02 0.00 0.00 57.03 56.58 2qty h ASP 153 Cb 0.04 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.28 2qty h ASP 153 CO -0.11 1.51 -0.16 0.58 -1.72 0.00 0.00 179.24 179.34 2qty h VAL 154 N 0.27 0.56 -0.04 -1.35 2.07 -0.96 -1.05 116.25 115.74 2qty h VAL 154 Ca -0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2qty h VAL 154 Cb 1.71 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2qty h VAL 154 CO 0.20 0.00 0.03 1.56 0.02 0.00 0.00 177.57 179.38 2qty h GLN 155 N -0.16 0.05 0.00 1.57 4.20 -1.38 0.11 115.11 119.51 2qty h GLN 155 Ca 0.12 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2qty h GLN 155 Cb 0.34 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2qty h GLN 155 CO -0.31 0.05 -0.02 -0.22 -0.67 0.00 0.00 178.83 177.67 2qty h LYS 156 N 0.04 -0.03 0.01 1.46 3.64 -1.21 -1.34 116.57 119.14 2qty h LYS 156 Ca 0.01 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.17 2qty h LYS 156 Cb 0.01 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2qty h LYS 156 CO -0.00 -0.02 -1.14 0.74 -2.27 0.00 0.00 179.45 176.76 2qty h PHE 157 N -0.03 0.04 -0.45 1.91 -1.00 -1.16 -2.00 116.94 114.24 2qty h PHE 157 Ca 0.01 -0.03 0.08 0.00 2.81 0.00 0.00 57.97 60.84 2qty h PHE 157 Cb 0.04 -0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.53 2qty h PHE 157 CO -0.09 1.03 0.04 0.00 -1.61 0.00 0.00 178.31 177.67 2qty h ALA 158 N 0.96 0.46 0.15 2.45 0.00 -0.74 -0.74 119.26 121.80 2qty h ALA 158 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qty h ALA 158 Cb 1.83 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2qty h ALA 158 CO 0.13 -0.36 -0.14 -0.09 0.00 0.00 0.00 179.25 178.78 2qty h ARG 159 N 0.15 -0.31 -0.53 0.00 2.43 -1.09 -1.90 114.38 113.13 2qty h ARG 159 Ca 0.23 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.30 2qty h ARG 159 Cb 0.32 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2qty h ARG 159 CO -0.34 -0.20 -0.11 -0.07 -1.51 0.00 0.00 179.97 177.73 2qty h LEU 160 N -0.32 1.01 -0.90 3.80 3.38 -1.26 -0.11 115.31 120.91 2qty h LEU 160 Ca 0.00 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 2qty h LEU 160 Cb 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2qty h LEU 160 CO -0.04 1.13 -0.22 0.77 0.09 0.00 0.00 178.44 180.17 2qty h SER 161 N 0.90 0.56 -0.60 -0.43 4.64 -1.15 -2.91 113.55 114.57 2qty h SER 161 Ca 0.14 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 2qty h SER 161 Cb 0.68 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2qty h SER 161 CO 0.05 0.78 0.08 0.00 -0.87 0.00 0.00 176.83 176.87 2qty h ALA 162 N 1.27 0.80 0.00 5.18 0.00 -0.77 -3.11 119.26 122.62 2qty h ALA 162 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2qty h ALA 162 Cb 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2qty h ALA 162 CO 0.05 0.57 0.00 1.04 0.00 0.00 0.00 179.25 180.90 2qty n GLN 163 N -4.28 0.13 0.29 0.00 6.02 -0.11 -0.31 117.38 119.12 2qty n GLN 163 Ca 0.03 0.39 0.14 0.00 -0.01 0.00 0.00 57.00 57.55 2qty n GLN 163 Cb 0.29 -1.76 0.87 0.00 1.02 0.00 0.00 30.24 30.65 2qty n GLN 163 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2qty h LEU 164 N 0.00 0.00 0.00 1.08 3.38 -1.46 -3.34 115.31 114.97 2qty h LEU 164 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qty h LEU 164 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2qty h LEU 164 CO 0.00 0.03 -0.46 0.35 0.09 0.00 0.00 178.44 178.45 2qty n THR 165 N -3.80 0.00 -3.60 0.22 -2.24 -0.64 -4.47 114.28 99.74 2qty n THR 165 Ca -0.03 -0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 2qty n THR 165 Cb 0.12 0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.46 2qty n THR 165 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2qty s HIS 166 N -0.92 1.35 -0.75 4.78 3.76 0.58 -4.59 115.29 119.50 2qty s HIS 166 Ca 0.00 -1.95 0.24 0.00 -0.15 0.00 0.00 55.06 53.20 2qty s HIS 166 Cb 0.00 -1.42 0.35 0.00 1.11 0.00 0.00 32.58 32.62 2qty s HIS 166 CO 0.00 -0.81 1.30 0.00 -0.85 0.00 0.00 174.74 174.38 2qty n ALA 167 N 3.96 3.20 -1.77 -1.40 0.00 -1.24 -3.82 120.51 119.44 2qty n ALA 167 Ca 0.08 -0.31 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 2qty n ALA 167 Cb 0.37 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2qty n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qty s SER 168 N -3.78 6.76 0.52 0.00 0.15 -1.19 -4.83 113.70 111.34 2qty s SER 168 Ca 0.07 2.35 0.23 0.00 0.70 0.00 0.00 55.95 59.31 2qty s SER 168 Cb 0.15 -2.62 1.36 0.00 -1.71 0.00 0.00 66.02 63.20 2qty s SER 168 CO 0.73 -0.51 2.02 0.77 1.20 0.00 0.00 173.24 177.44 2qty h SER 169 N 3.01 0.02 0.65 5.45 4.64 -1.89 -0.28 113.55 125.15 2qty h SER 169 Ca -0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 2qty h SER 169 Cb 1.23 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2qty h SER 169 CO 0.64 0.01 -0.35 -0.07 -0.87 0.00 0.00 176.83 176.19 2qty h LEU 170 N 0.03 0.00 0.11 5.97 3.38 -1.91 0.19 115.31 123.08 2qty h LEU 170 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2qty h LEU 170 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2qty h LEU 170 CO -0.01 0.35 -0.05 1.23 0.09 0.00 0.00 178.44 180.05 2qty h GLY 171 N 1.65 -0.16 2.00 0.83 0.00 -1.23 -3.28 103.07 102.88 2qty h GLY 171 Ca -0.00 0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 2qty h GLY 171 CO 0.05 -0.06 -0.72 0.10 0.00 0.00 0.00 176.54 175.90 2qty h TYR 172 N -0.95 0.00 0.00 5.60 -0.00 -1.09 -2.35 116.97 118.18 2qty h TYR 172 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.65 2qty h TYR 172 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.20 2qty h TYR 172 CO 0.09 0.72 -0.31 -0.91 -0.00 0.00 0.00 178.16 177.76 2qty h ASN 173 N 0.00 0.00 -0.65 0.10 2.35 -0.83 -0.30 115.58 116.26 2qty h ASN 173 Ca -0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2qty h ASN 173 Cb 1.36 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.70 2qty h ASN 173 CO 0.09 0.31 0.07 1.23 -1.65 0.00 0.00 177.43 177.49 2qty h GLY 174 N 1.39 1.19 0.85 2.83 0.00 -1.49 -0.32 103.07 107.51 2qty h GLY 174 Ca -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 2qty h GLY 174 CO 0.04 0.75 0.02 0.00 0.00 0.00 0.00 176.54 177.36 2qty h ALA 175 N 1.05 0.30 -0.57 3.60 0.00 -1.01 -1.60 119.26 121.02 2qty h ALA 175 Ca 0.19 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2qty h ALA 175 Cb 0.48 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2qty h ALA 175 CO 0.02 -0.00 0.24 0.82 0.00 0.00 0.00 179.25 180.33 2qty h ILE 176 N 0.18 0.85 -0.24 0.00 2.04 -0.85 -1.27 117.51 118.23 2qty h ILE 176 Ca 0.07 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2qty h ILE 176 Cb 0.35 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2qty h ILE 176 CO 0.01 0.08 0.15 0.25 0.00 0.00 0.00 178.15 178.64 2qty h LEU 177 N 0.45 0.27 -0.49 1.44 5.85 -0.92 -0.03 115.31 121.89 2qty h LEU 177 Ca 0.27 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.99 2qty h LEU 177 Cb 0.28 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2qty h LEU 177 CO -0.24 0.21 0.30 -0.61 -0.34 0.00 0.00 178.44 177.76 2qty h GLN 178 N 0.31 0.59 -0.93 1.25 5.75 -1.16 -1.39 115.11 119.53 2qty h GLN 178 Ca 0.09 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2qty h GLN 178 Cb -0.02 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.35 2qty h GLN 178 CO -0.02 0.39 0.57 0.00 -2.65 0.00 0.00 178.83 177.12 2qty h ALA 179 N 1.20 1.25 -0.47 3.38 0.00 -0.94 -1.83 119.26 121.86 2qty h ALA 179 Ca 0.19 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2qty h ALA 179 Cb -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 2qty h ALA 179 CO -0.07 0.65 -0.06 -0.07 0.00 0.00 0.00 179.25 179.70 2qty h LEU 180 N 1.28 0.80 -0.29 0.00 3.38 -0.71 -0.69 115.31 119.08 2qty h LEU 180 Ca 0.33 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2qty h LEU 180 Cb -0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2qty h LEU 180 CO -0.06 0.90 0.06 0.00 0.09 0.00 0.00 178.44 179.43 2qty h ALA 181 N 1.18 0.38 -0.55 1.53 0.00 -0.76 0.48 119.26 121.52 2qty h ALA 181 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qty h ALA 181 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2qty h ALA 181 CO 0.03 0.05 0.34 0.28 0.00 0.00 0.00 179.25 179.95 2qty h VAL 182 N 0.30 1.16 -0.51 0.00 2.07 -1.22 -0.99 116.25 117.06 2qty h VAL 182 Ca 0.09 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2qty h VAL 182 Cb 0.30 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 2qty h VAL 182 CO 0.00 0.16 0.16 -0.74 0.02 0.00 0.00 177.57 177.17 2qty h HIS 183 N 0.74 0.28 -0.60 1.57 6.17 -0.93 -1.38 115.15 121.00 2qty h HIS 183 Ca 0.20 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.26 2qty h HIS 183 Cb -0.03 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 29.82 2qty h HIS 183 CO -0.03 0.07 0.21 -0.07 0.71 0.00 0.00 177.93 178.82 2qty h LEU 184 N 0.33 0.82 -0.87 0.26 3.38 -0.63 -2.97 115.31 115.63 2qty h LEU 184 Ca 0.25 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2qty h LEU 184 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2qty h LEU 184 CO -0.27 0.76 -0.19 0.00 0.09 0.00 0.00 178.44 178.84 2qty h ALA 185 N 1.35 1.04 -0.08 1.53 0.00 -0.50 -1.74 119.26 120.87 2qty h ALA 185 Ca 0.20 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2qty h ALA 185 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qty h ALA 185 CO -0.01 0.58 0.15 -0.07 0.00 0.00 0.00 179.25 179.90 2qty h LEU 186 N 0.56 0.00 -0.46 0.00 3.38 -1.11 -1.94 115.31 115.74 2qty h LEU 186 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qty h LEU 186 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2qty h LEU 186 CO 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.46 2qty n GLN 187 N -3.42 1.00 0.00 1.13 3.00 -0.66 -5.03 117.38 113.41 2qty n GLN 187 Ca -0.01 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.52 2qty n GLN 187 Cb 0.24 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.99 2qty n GLN 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qty n GLY 188 N 1.24 -1.02 3.62 1.08 0.00 -0.73 -4.96 105.19 104.42 2qty n GLY 188 Ca 0.16 -1.32 -0.49 0.00 0.00 0.00 0.00 46.02 44.36 2qty n GLY 188 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qty n VAL 189 N 0.00 0.16 -3.49 1.61 0.24 -1.26 -4.89 118.33 110.70 2qty n VAL 189 Ca 0.00 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.34 62.11 2qty n VAL 189 Cb 0.00 -1.11 -0.04 0.00 -1.47 0.00 0.00 33.84 31.21 2qty n VAL 189 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2qty s SER 190 N 0.57 -0.61 0.74 -1.34 0.15 -1.26 -5.14 113.70 106.80 2qty s SER 190 Ca 0.80 0.42 -0.13 0.00 0.70 0.00 0.00 55.95 57.74 2qty s SER 190 Cb -0.83 0.56 0.05 0.00 -1.71 0.00 0.00 66.02 64.09 2qty s SER 190 CO 0.44 -0.75 1.13 -0.94 1.20 0.00 0.00 173.24 174.33 2qty s SER 191 N -1.82 4.41 0.29 5.45 1.04 -1.26 -4.92 113.70 116.90 2qty s SER 191 Ca -0.06 2.06 -0.03 0.00 0.48 0.00 0.00 55.95 58.40 2qty s SER 191 Cb -0.00 -2.55 0.41 0.00 0.10 0.00 0.00 66.02 63.97 2qty s SER 191 CO 0.01 -2.11 1.96 0.77 0.98 0.00 0.00 173.24 174.85 2qty h SER 192 N -0.65 0.98 -0.88 7.02 4.64 -1.99 -2.08 113.55 120.59 2qty h SER 192 Ca -0.45 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2qty h SER 192 Cb 1.26 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 2qty h SER 192 CO 0.50 0.72 0.54 -0.08 -0.87 0.00 0.00 176.83 177.64 2qty h GLU 193 N 1.16 1.19 -0.08 4.77 4.81 -1.99 -1.51 114.58 122.92 2qty h GLU 193 Ca 0.31 -0.10 -0.20 0.00 -0.13 0.00 0.00 59.36 59.24 2qty h GLU 193 Cb -0.13 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.00 2qty h GLU 193 CO -0.07 0.83 -0.77 1.25 -0.73 0.00 0.00 179.01 179.52 2qty h HIS 194 N 1.21 0.68 0.33 0.92 2.76 -1.89 -0.35 115.15 118.80 2qty h HIS 194 Ca 0.32 -0.31 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2qty h HIS 194 Cb -0.06 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 28.79 2qty h HIS 194 CO -0.00 1.09 -0.20 0.35 -1.30 0.00 0.00 177.93 177.87 2qty h PHE 195 N 0.33 -0.53 -0.26 5.26 3.57 -1.14 -2.39 116.94 121.78 2qty h PHE 195 Ca -0.04 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.48 2qty h PHE 195 Cb 1.36 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 40.26 2qty h PHE 195 CO 0.06 -0.31 0.09 -0.07 -2.23 0.00 0.00 178.31 175.85 2qty h LEU 196 N -0.51 0.11 -1.79 0.59 3.38 -1.24 -2.42 115.31 113.44 2qty h LEU 196 Ca -0.03 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2qty h LEU 196 Cb 0.42 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2qty h LEU 196 CO 0.04 0.10 0.16 1.05 0.09 0.00 0.00 178.44 179.87 2qty h GLU 197 N 0.22 0.28 -0.12 1.13 4.11 -1.03 0.10 114.58 119.28 2qty h GLU 197 Ca 0.11 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.40 2qty h GLU 197 Cb 0.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2qty h GLU 197 CO -0.11 0.19 -0.40 1.96 0.07 0.00 0.00 179.01 180.72 2qty h GLN 198 N 0.29 0.48 -0.58 1.06 4.20 -1.13 -1.53 115.11 117.89 2qty h GLN 198 Ca 0.09 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 2qty h GLN 198 Cb 0.01 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2qty h GLN 198 CO -0.02 0.98 0.33 -0.07 -0.67 0.00 0.00 178.83 179.38 2qty h LEU 199 N 0.07 0.72 -0.42 1.46 3.38 -0.95 -1.95 115.31 117.62 2qty h LEU 199 Ca -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2qty h LEU 199 Cb 1.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2qty h LEU 199 CO 0.08 0.59 0.24 0.25 0.09 0.00 0.00 178.44 179.70 2qty h LEU 200 N 0.79 0.52 -0.48 1.67 5.85 -0.81 -0.77 115.31 122.08 2qty h LEU 200 Ca 0.21 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2qty h LEU 200 Cb 0.03 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2qty h LEU 200 CO -0.03 0.45 0.24 1.23 -0.34 0.00 0.00 178.44 179.98 2qty h GLY 201 N 0.55 0.66 0.94 3.75 0.00 -0.94 -0.66 103.07 107.38 2qty h GLY 201 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2qty h GLY 201 CO -0.03 0.11 -0.06 0.45 0.00 0.00 0.00 176.54 177.01 2qty h HIS 202 N 0.47 -0.14 -0.21 5.60 3.86 -1.09 -3.08 115.15 120.56 2qty h HIS 202 Ca 0.21 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.31 2qty h HIS 202 Cb 0.12 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 2qty h HIS 202 CO -0.10 -0.09 -0.34 0.52 0.86 0.00 0.00 177.93 178.77 2qty h MET 203 N -0.13 0.44 -0.98 2.45 2.07 -0.85 -1.49 114.93 116.44 2qty h MET 203 Ca -0.00 -0.20 0.02 0.00 -2.07 0.00 0.00 59.70 57.46 2qty h MET 203 Cb 0.12 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 29.79 2qty h MET 203 CO -0.01 0.73 0.65 0.93 1.07 0.00 0.00 176.91 180.28 2qty h GLU 204 N 0.38 1.25 0.14 1.72 5.08 -1.14 0.20 114.58 122.20 2qty h GLU 204 Ca 0.04 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2qty h GLU 204 Cb 0.78 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2qty h GLU 204 CO 0.06 0.83 -0.07 1.49 -1.00 0.00 0.00 179.01 180.32 2qty h GLU 205 N 1.29 -0.18 -0.34 2.33 4.57 -1.38 -3.02 114.58 117.85 2qty h GLU 205 Ca 0.37 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.64 2qty h GLU 205 Cb -0.08 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.46 2qty h GLU 205 CO -0.10 0.25 -0.26 -0.07 -1.18 0.00 0.00 179.01 177.66 2qty h LEU 206 N -0.69 -0.84 0.00 1.64 3.38 -1.10 -1.96 115.31 115.74 2qty h LEU 206 Ca -0.02 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qty h LEU 206 Cb 0.51 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2qty h LEU 206 CO 0.03 -0.28 0.00 -0.62 0.09 0.00 0.00 178.44 177.66 2qty n GLU 207 N -5.39 0.62 0.15 1.13 1.02 0.68 -2.62 120.64 116.22 2qty n GLU 207 Ca 0.01 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 2qty n GLU 207 Cb 0.31 -1.49 0.47 0.00 -0.02 0.00 0.00 31.44 30.71 2qty n GLU 207 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2qty h GLY 208 N 3.10 0.00 -2.95 0.62 0.00 -1.21 -3.39 103.07 99.24 2qty h GLY 208 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 2qty h GLY 208 CO 0.00 0.00 0.48 1.22 0.00 0.00 0.00 176.54 178.24 2qty n ASP 209 N -2.45 2.26 -0.13 0.19 8.00 -1.08 -4.87 116.55 118.46 2qty n ASP 209 Ca 0.03 0.97 -0.11 0.00 0.71 0.00 0.00 54.79 56.39 2qty n ASP 209 Cb 0.32 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 39.88 2qty n ASP 209 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qty h ALA 210 N 1.35 0.52 0.15 2.24 0.00 -1.93 -1.75 119.26 119.85 2qty h ALA 210 Ca -0.50 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.13 2qty h ALA 210 Cb 1.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2qty h ALA 210 CO 0.56 0.37 -0.25 0.37 0.00 0.00 0.00 179.25 180.30 2qty h GLN 211 N 0.53 -0.46 -0.72 0.00 5.75 -1.97 -0.36 115.11 117.88 2qty h GLN 211 Ca 0.10 0.03 0.16 0.00 -0.15 0.00 0.00 58.65 58.79 2qty h GLN 211 Cb 0.58 0.10 -0.11 0.00 1.07 0.00 0.00 27.48 29.12 2qty h GLN 211 CO 0.03 -0.30 0.10 0.77 -2.65 0.00 0.00 178.83 176.78 2qty h SER 212 N -0.47 -0.13 -0.36 -0.69 0.02 -1.87 -1.37 113.55 108.67 2qty h SER 212 Ca 0.02 0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 2qty h SER 212 Cb 0.48 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2qty h SER 212 CO -0.12 -0.09 -0.18 0.58 -1.14 0.00 0.00 176.83 175.88 2qty h VAL 213 N 0.19 1.28 -0.18 2.27 2.07 -0.91 -2.77 116.25 118.21 2qty h VAL 213 Ca 0.40 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.62 2qty h VAL 213 Cb 0.69 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2qty h VAL 213 CO -0.56 0.43 0.10 0.25 0.02 0.00 0.00 177.57 177.81 2qty h LEU 214 N 0.55 0.16 -1.45 2.57 6.46 -0.62 -1.23 115.31 121.75 2qty h LEU 214 Ca 0.08 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2qty h LEU 214 Cb 0.72 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 2qty h LEU 214 CO 0.05 0.12 0.15 0.44 -0.62 0.00 0.00 178.44 178.59 2qty h ASP 215 N 0.21 0.47 -0.03 1.25 3.32 -1.23 0.32 116.42 120.73 2qty h ASP 215 Ca 0.07 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2qty h ASP 215 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2qty h ASP 215 CO -0.04 0.42 -0.06 0.00 -1.72 0.00 0.00 179.24 177.84 2qty h ALA 216 N 1.65 0.04 -0.93 3.45 0.00 -1.19 -2.74 119.26 119.54 2qty h ALA 216 Ca 0.13 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2qty h ALA 216 Cb 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2qty h ALA 216 CO -0.01 -0.11 0.60 0.87 0.00 0.00 0.00 179.25 180.59 2qty h LYS 217 N -0.47 1.08 -0.09 0.00 1.57 -0.87 -1.22 116.57 116.57 2qty h LYS 217 Ca -0.00 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2qty h LYS 217 Cb 0.66 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 2qty h LYS 217 CO 0.01 0.71 0.06 1.49 -0.57 0.00 0.00 179.45 181.16 2qty h GLU 218 N 1.11 0.08 -0.48 3.15 4.81 -0.35 -0.91 114.58 122.00 2qty h GLU 218 Ca 0.39 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2qty h GLU 218 Cb 0.11 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2qty h GLU 218 CO -0.15 0.06 0.00 1.28 -0.73 0.00 0.00 179.01 179.46 2qty n LEU 219 N -4.52 2.87 -0.93 1.64 7.99 -0.72 -4.94 117.00 118.39 2qty n LEU 219 Ca -0.01 -1.38 -0.10 0.00 -0.01 0.00 0.00 56.01 54.51 2qty n LEU 219 Cb 0.11 -0.32 -0.02 0.00 -0.11 0.00 0.00 43.42 43.08 2qty n LEU 219 CO 0.34 0.69 -0.11 0.61 -1.51 0.00 0.00 177.39 177.41 2qty n GLY 220 N 1.37 0.57 3.90 -0.72 0.00 -0.34 -5.04 105.19 104.93 2qty n GLY 220 Ca 0.18 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 2qty n GLY 220 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qty s MET 221 N -3.63 2.86 0.63 1.61 -1.94 -0.54 -5.02 119.30 113.26 2qty s MET 221 Ca 0.00 -1.21 -0.08 0.00 -1.71 0.00 0.00 55.69 52.70 2qty s MET 221 Cb 0.00 -2.60 0.01 0.00 2.01 0.00 0.00 34.83 34.26 2qty s MET 221 CO 0.00 0.07 0.96 -1.21 -0.01 0.00 0.00 175.02 174.83 2qty s GLU 222 N -4.07 2.88 0.67 2.03 0.41 -1.26 -4.00 118.70 115.36 2qty s GLU 222 Ca 0.43 0.12 -0.14 0.00 -0.41 0.00 0.00 54.97 54.97 2qty s GLU 222 Cb -0.07 -2.20 0.01 0.00 -1.78 0.00 0.00 34.13 30.09 2qty s GLU 222 CO 0.28 -0.81 1.10 -1.83 -0.49 0.00 0.00 175.26 173.51 2qty s GLU 223 N -5.11 2.76 -0.97 1.61 -1.05 -1.26 -3.39 118.70 111.29 2qty s GLU 223 Ca 0.55 1.33 -0.11 0.00 -0.15 0.00 0.00 54.97 56.58 2qty s GLU 223 Cb -0.11 -1.95 -0.00 0.00 -0.44 0.00 0.00 34.13 31.63 2qty s GLU 223 CO 0.47 -1.27 0.73 0.54 0.95 0.00 0.00 175.26 176.67 2qty n ARG 224 N -2.59 -1.30 -0.07 -4.83 1.74 -1.26 -4.79 116.66 103.56 2qty n ARG 224 Ca 0.10 0.76 -0.05 0.00 -0.77 0.00 0.00 57.85 57.89 2qty n ARG 224 Cb 0.52 -4.02 0.16 0.00 -1.02 0.00 0.00 32.46 28.11 2qty n ARG 224 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2qty h PRO 225 N -0.99 0.69 -0.48 5.56 0.13 -1.94 -2.16 132.00 132.81 2qty h PRO 225 Ca -0.51 -0.22 -0.13 0.00 -0.87 0.00 0.00 66.00 64.27 2qty h PRO 225 Cb 1.29 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2qty h PRO 225 CO 0.41 0.78 -0.19 1.88 -0.23 0.00 0.00 178.00 180.65 2qty h TYR 226 N 0.63 1.10 -0.35 1.56 0.05 -1.92 -1.33 116.97 116.71 2qty h TYR 226 Ca 0.11 -0.25 -0.02 0.00 0.05 0.00 0.00 58.73 58.62 2qty h TYR 226 Cb 0.55 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 2qty h TYR 226 CO 0.03 1.06 0.14 0.77 -1.05 0.00 0.00 178.16 179.11 2qty h SER 227 N 0.84 0.48 -0.80 3.88 0.02 -1.86 0.54 113.55 116.65 2qty h SER 227 Ca 0.11 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 2qty h SER 227 Cb 0.76 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 2qty h SER 227 CO 0.06 0.52 0.34 0.77 -1.14 0.00 0.00 176.83 177.38 2qty h SER 228 N 0.42 1.09 -0.14 3.07 4.64 -1.35 -1.94 113.55 119.33 2qty h SER 228 Ca 0.12 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 2qty h SER 228 Cb 0.19 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 2qty h SER 228 CO -0.01 0.95 -0.11 0.03 -0.87 0.00 0.00 176.83 176.82 2qty h ARG 229 N 1.16 0.49 -0.12 4.77 3.08 -0.74 -1.47 114.38 121.56 2qty h ARG 229 Ca 0.27 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 2qty h ARG 229 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2qty h ARG 229 CO -0.03 0.60 -0.38 -0.07 -1.07 0.00 0.00 179.97 179.03 2qty h LEU 230 N 0.46 0.26 -0.49 3.04 3.38 -0.53 0.77 115.31 122.19 2qty h LEU 230 Ca 0.09 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2qty h LEU 230 Cb 0.47 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2qty h LEU 230 CO 0.03 0.62 0.05 0.11 0.09 0.00 0.00 178.44 179.34 2qty h LYS 231 N 0.21 0.84 -0.87 1.13 1.57 -0.75 -1.78 116.57 116.91 2qty h LYS 231 Ca 0.02 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2qty h LYS 231 Cb 0.77 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2qty h LYS 231 CO 0.06 0.85 0.44 -0.22 -0.57 0.00 0.00 179.45 180.02 2qty h LYS 232 N 0.71 1.24 -0.58 3.15 1.63 -0.86 -1.10 116.57 120.75 2qty h LYS 232 Ca 0.15 -0.17 0.09 0.00 -0.85 0.00 0.00 60.65 59.87 2qty h LYS 232 Cb 0.44 -0.23 -0.07 0.00 -0.60 0.00 0.00 32.23 31.77 2qty h LYS 232 CO 0.02 0.93 0.21 0.28 -3.45 0.00 0.00 179.45 177.44 2qty h VAL 233 N 1.24 0.78 -0.43 2.00 2.07 -0.58 -0.67 116.25 120.66 2qty h VAL 233 Ca 0.30 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2qty h VAL 233 Cb 0.08 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2qty h VAL 233 CO -0.04 0.07 0.28 1.23 0.02 0.00 0.00 177.57 179.13 2qty h GLY 234 N 0.39 0.60 0.68 2.17 0.00 -0.66 0.16 103.07 106.41 2qty h GLY 234 Ca 0.29 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.41 2qty h GLY 234 CO -0.30 0.22 -0.13 0.83 0.00 0.00 0.00 176.54 177.17 2qty h GLU 235 N 0.58 -0.21 -0.42 4.80 5.08 -0.76 -1.51 114.58 122.14 2qty h GLU 235 Ca 0.16 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2qty h GLU 235 Cb -0.06 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2qty h GLU 235 CO -0.03 -0.14 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.66 2qty h LEU 236 N -0.22 0.82 -0.81 1.33 3.38 -0.84 -2.21 115.31 116.76 2qty h LEU 236 Ca 0.04 -0.37 0.18 0.00 0.09 0.00 0.00 57.88 57.83 2qty h LEU 236 Cb 0.28 -0.22 -0.15 0.00 0.09 0.00 0.00 40.66 40.65 2qty h LEU 236 CO -0.13 0.99 -0.07 -0.07 0.09 0.00 0.00 178.44 179.26 2qty h LEU 237 N 0.63 -0.52 -0.82 1.67 3.38 -0.65 -2.03 115.31 116.97 2qty h LEU 237 Ca 0.10 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2qty h LEU 237 Cb 0.64 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2qty h LEU 237 CO 0.04 -0.24 0.00 0.44 0.09 0.00 0.00 178.44 178.77 2qty h ASP 238 N 0.05 0.00 -3.40 -0.43 5.19 -0.68 -3.45 116.42 113.70 2qty h ASP 238 Ca 0.43 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 56.32 2qty h ASP 238 Cb 0.75 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.27 2qty h ASP 238 CO -0.77 0.00 0.54 -1.58 -3.12 0.00 0.00 179.24 174.31 2qty s GLN 239 N -3.43 4.49 0.08 3.56 0.74 -0.76 -4.94 119.66 119.40 2qty s GLN 239 Ca 0.04 1.81 -0.22 0.00 0.05 0.00 0.00 55.36 57.04 2qty s GLN 239 Cb 0.09 -3.28 -0.14 0.00 1.10 0.00 0.00 33.01 30.78 2qty s GLN 239 CO 0.54 -0.11 1.69 -0.44 -0.55 0.00 0.00 175.29 176.42 2qty h ASP 240 N 5.74 0.07 -3.77 6.67 3.32 -1.87 -3.42 116.42 123.16 2qty h ASP 240 Ca -0.43 -0.07 -0.69 0.00 0.02 0.00 0.00 57.03 55.86 2qty h ASP 240 Cb 1.21 -0.02 -0.32 0.00 0.22 0.00 0.00 39.33 40.43 2qty h ASP 240 CO 0.76 0.12 -0.88 0.68 -1.72 0.00 0.00 179.24 178.20 2qty s VAL 241 N -5.92 2.07 -0.04 -1.35 -7.23 -1.26 -4.71 120.40 101.97 2qty s VAL 241 Ca -0.13 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 2qty s VAL 241 Cb 0.06 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.27 2qty s VAL 241 CO 0.67 0.57 -0.01 -0.69 -0.31 0.00 0.00 175.10 175.33 2qty s VAL 242 N 0.02 0.29 0.27 1.32 1.01 -1.26 -5.15 120.40 116.90 2qty s VAL 242 Ca -0.09 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 2qty s VAL 242 Cb -0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 2qty s VAL 242 CO 0.06 0.19 0.46 -0.94 0.00 0.00 0.00 175.10 174.87 2qty s SER 243 N 1.19 6.35 0.48 3.32 1.04 -1.26 -4.85 113.70 119.97 2qty s SER 243 Ca -0.07 0.42 0.14 0.00 0.48 0.00 0.00 55.95 56.92 2qty s SER 243 Cb -0.13 -2.02 1.13 0.00 0.10 0.00 0.00 66.02 65.10 2qty s SER 243 CO -0.02 -0.16 2.09 0.08 0.98 0.00 0.00 173.24 176.21 2qty h ARG 244 N 1.41 0.20 -0.58 4.02 0.11 -1.99 -1.83 114.38 115.72 2qty h ARG 244 Ca -0.49 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.50 2qty h ARG 244 Cb 1.21 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.22 2qty h ARG 244 CO 0.64 0.14 0.04 0.93 0.10 0.00 0.00 179.97 181.82 2qty h GLU 245 N 0.21 0.96 -0.34 0.08 3.07 -1.98 -0.22 114.58 116.36 2qty h GLU 245 Ca 0.10 -0.27 -0.05 0.00 -0.50 0.00 0.00 59.36 58.64 2qty h GLU 245 Cb 0.15 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 2qty h GLU 245 CO -0.02 0.92 0.01 0.93 -1.40 0.00 0.00 179.01 179.45 2qty h GLU 246 N 0.90 0.60 -0.19 2.33 5.08 -1.74 -0.18 114.58 121.37 2qty h GLU 246 Ca 0.17 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2qty h GLU 246 Cb 0.46 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2qty h GLU 246 CO 0.02 0.71 0.11 0.28 -1.00 0.00 0.00 179.01 179.13 2qty h VAL 247 N 0.41 1.09 -0.55 3.13 2.07 -1.34 0.16 116.25 121.22 2qty h VAL 247 Ca 0.10 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 2qty h VAL 247 Cb 0.44 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2qty h VAL 247 CO 0.02 0.09 0.01 0.58 0.02 0.00 0.00 177.57 178.29 2qty h VAL 248 N 0.21 1.25 -0.15 2.57 2.07 -0.99 0.13 116.25 121.35 2qty h VAL 248 Ca 0.07 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 2qty h VAL 248 Cb 0.05 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2qty h VAL 248 CO -0.01 0.38 -0.21 -1.28 0.02 0.00 0.00 177.57 176.47 2qty h SER 249 N 0.86 0.45 0.54 0.57 0.87 -0.89 -2.92 113.55 113.02 2qty h SER 249 Ca 0.16 -0.52 -0.28 0.00 -1.23 0.00 0.00 61.79 59.92 2qty h SER 249 Cb 0.49 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 2qty h SER 249 CO 0.02 0.88 -1.61 -0.33 -0.53 0.00 0.00 176.83 175.26 2qty h GLU 250 N 0.03 0.03 0.00 2.24 4.39 -0.60 -3.43 114.58 117.24 2qty h GLU 250 Ca 0.02 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2qty h GLU 250 Cb 0.78 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 2qty h GLU 250 CO 0.05 0.64 -1.40 1.28 -1.16 0.00 0.00 179.01 178.42 2qty n LEU 251 N -3.14 0.52 0.00 1.33 4.77 0.38 -5.03 117.00 115.83 2qty n LEU 251 Ca -0.15 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2qty n LEU 251 Cb 1.03 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2qty n LEU 251 CO 0.45 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2qty n GLY 252 N 2.56 2.89 2.70 -0.72 0.00 -0.78 -4.25 105.19 107.58 2qty n GLY 252 Ca -0.14 -2.03 -0.00 0.00 0.00 0.00 0.00 46.02 43.84 2qty n GLY 252 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qty n ASN 253 N 0.00 1.62 -4.95 1.61 6.94 -0.89 -4.64 115.26 114.95 2qty n ASN 253 Ca 0.00 -2.07 -0.21 0.00 -0.02 0.00 0.00 54.58 52.28 2qty n ASN 253 Cb 0.00 -0.46 0.01 0.00 -2.36 0.00 0.00 39.78 36.97 2qty n ASN 253 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2qty s GLY 254 N -3.65 2.03 0.27 4.83 0.00 -0.47 -0.65 107.32 109.67 2qty s GLY 254 Ca 0.28 -1.79 0.11 0.00 0.00 0.00 0.00 44.72 43.33 2qty s GLY 254 CO -0.05 -1.71 1.58 -2.22 0.00 0.00 0.00 173.10 170.70 2qty h ILE 255 N 0.64 1.37 -2.47 0.90 2.04 -1.96 -3.36 117.51 114.66 2qty h ILE 255 Ca -0.37 -2.23 -0.59 0.00 1.00 0.00 0.00 64.86 62.68 2qty h ILE 255 Cb 1.28 2.23 0.07 0.00 -0.74 0.00 0.00 36.82 39.66 2qty h ILE 255 CO 0.50 0.62 0.66 0.00 0.00 0.00 0.00 178.15 179.93 2qty n ALA 256 N -2.38 1.07 -0.09 1.87 0.00 -1.26 -0.43 120.51 119.28 2qty n ALA 256 Ca -0.01 0.43 0.09 0.00 0.00 0.00 0.00 53.44 53.95 2qty n ALA 256 Cb 0.65 -2.29 0.44 0.00 0.00 0.00 0.00 19.45 18.26 2qty n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qty h ALA 257 N 4.81 1.86 0.00 0.00 0.00 -1.27 -0.06 119.26 124.60 2qty h ALA 257 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2qty h ALA 257 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2qty h ALA 257 CO 0.80 0.03 0.00 1.97 0.00 0.00 0.00 179.25 182.06 2qty n PHE 258 N -4.48 0.40 -0.20 0.00 1.16 -1.26 -1.06 117.46 112.02 2qty n PHE 258 Ca 0.09 0.13 0.09 0.00 -1.87 0.00 0.00 57.45 55.89 2qty n PHE 258 Cb 0.27 -0.71 0.24 0.00 -1.61 0.00 0.00 39.48 37.66 2qty n PHE 258 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2qty n GLU 259 N -1.84 2.68 0.00 3.97 1.02 -0.07 -4.64 120.64 121.77 2qty n GLU 259 Ca 0.05 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 54.85 2qty n GLU 259 Cb 0.31 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2qty n GLU 259 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2qty n SER 260 N 1.17 1.07 0.02 1.62 3.41 -1.02 -1.37 113.62 118.53 2qty n SER 260 Ca 0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.67 2qty n SER 260 Cb 0.54 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 2qty n SER 260 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2qty h VAL 261 N 0.00 1.23 -0.52 -3.33 2.07 -1.35 0.14 116.25 114.48 2qty h VAL 261 Ca 0.00 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.57 2qty h VAL 261 Cb 0.30 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2qty h VAL 261 CO 0.00 0.25 0.35 -0.65 0.02 0.00 0.00 177.57 177.54 2qty h PRO 262 N -0.52 0.51 -0.27 1.57 0.11 -1.82 -1.76 132.00 129.81 2qty h PRO 262 Ca -0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 2qty h PRO 262 Cb 0.46 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2qty h PRO 262 CO 0.01 0.34 0.14 1.15 -0.21 0.00 0.00 178.00 179.43 2qty h THR 263 N 0.52 1.13 -0.44 -1.15 2.02 -1.81 0.52 112.91 113.70 2qty h THR 263 Ca 0.22 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 67.10 2qty h THR 263 Cb 0.22 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 2qty h THR 263 CO -0.06 0.13 0.20 0.00 0.37 0.00 0.00 175.52 176.15 2qty h ALA 264 N 1.02 0.55 -0.63 6.16 0.00 -0.52 -0.62 119.26 125.21 2qty h ALA 264 Ca 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qty h ALA 264 Cb 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2qty h ALA 264 CO -0.01 -0.18 0.39 0.82 0.00 0.00 0.00 179.25 180.27 2qty h ILE 265 N 0.39 1.18 -0.53 0.00 2.04 -1.18 -1.92 117.51 117.49 2qty h ILE 265 Ca 0.20 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.71 2qty h ILE 265 Cb 0.14 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2qty h ILE 265 CO -0.17 0.19 0.27 0.22 0.00 0.00 0.00 178.15 178.65 2qty h TYR 266 N 0.86 0.48 -0.62 1.37 3.20 -0.45 -0.58 116.97 121.24 2qty h TYR 266 Ca 0.23 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 2qty h TYR 266 Cb -0.04 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2qty h TYR 266 CO -0.02 0.23 0.08 0.00 -1.64 0.00 0.00 178.16 176.81 2qty h PHE 268 N 0.96 -0.48 -0.81 0.00 3.57 -1.12 -2.08 116.94 116.97 2qty h PHE 268 Ca 0.19 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2qty h PHE 268 Cb 0.45 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2qty h PHE 268 CO 0.03 -0.26 0.37 -0.07 -2.23 0.00 0.00 178.31 176.15 2qty h LEU 269 N -0.59 1.08 -0.29 0.59 3.38 -0.80 -2.84 115.31 115.83 2qty h LEU 269 Ca -0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2qty h LEU 269 Cb 0.44 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2qty h LEU 269 CO 0.09 0.93 0.18 -0.09 0.09 0.00 0.00 178.44 179.63 2qty h ARG 270 N 1.16 0.39 0.00 1.13 9.65 -0.69 -2.83 114.38 123.18 2qty h ARG 270 Ca 0.27 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2qty h ARG 270 Cb 0.15 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2qty h ARG 270 CO -0.03 0.29 0.00 0.00 2.80 0.00 0.00 179.97 183.03 2qty h MET 272 N 0.00 0.12 -5.34 0.00 2.86 -1.34 -3.42 114.93 107.80 2qty h MET 272 Ca 0.00 -0.01 -0.42 0.00 -2.06 0.00 0.00 59.70 57.20 2qty h MET 272 Cb 0.00 -0.02 -0.14 0.00 0.06 0.00 0.00 31.60 31.49 2qty h MET 272 CO 0.00 0.15 -0.69 -1.21 1.06 0.00 0.00 176.91 176.22 2qty s GLU 273 N -5.00 1.35 0.31 1.72 0.41 -1.20 -4.99 118.70 111.31 2qty s GLU 273 Ca -0.05 -1.64 -0.29 0.00 -0.41 0.00 0.00 54.97 52.57 2qty s GLU 273 Cb 0.17 -0.92 -0.11 0.00 -1.78 0.00 0.00 34.13 31.49 2qty s GLU 273 CO 0.69 0.06 1.50 -2.14 -0.49 0.00 0.00 175.26 174.88 2qty s PRO 274 N -3.74 4.17 0.09 0.39 0.02 -1.26 -5.01 135.00 129.65 2qty s PRO 274 Ca 0.25 2.49 -0.05 0.00 0.02 0.00 0.00 61.00 63.70 2qty s PRO 274 Cb 0.03 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 2qty s PRO 274 CO 0.08 -0.52 0.11 -1.01 -0.33 0.00 0.00 177.00 175.33 2qty s HIS 275 N -0.46 0.37 0.46 6.54 3.76 -1.26 -5.08 115.29 119.62 2qty s HIS 275 Ca 0.58 -0.83 0.15 0.00 -0.15 0.00 0.00 55.06 54.81 2qty s HIS 275 Cb -0.45 -0.21 1.07 0.00 1.11 0.00 0.00 32.58 34.09 2qty s HIS 275 CO 0.52 -0.51 2.03 -1.35 -0.85 0.00 0.00 174.74 174.58 2qty h PRO 276 N 2.87 0.00 0.00 8.40 0.11 -1.96 -3.21 132.00 138.21 2qty h PRO 276 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2qty h PRO 276 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qty h PRO 276 CO 0.59 0.14 0.00 1.05 -0.21 0.00 0.00 178.00 179.57 2qty h GLU 277 N 0.00 0.00 -3.96 1.05 9.09 -1.94 -3.44 114.58 115.39 2qty h GLU 277 Ca -0.00 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.09 2qty h GLU 277 Cb 0.25 0.00 -0.31 0.00 -1.65 0.00 0.00 28.75 27.04 2qty h GLU 277 CO 0.02 0.00 -0.75 0.42 0.05 0.00 0.00 179.01 178.75 2qty s ILE 278 N -3.32 0.25 0.14 -1.06 -1.09 -1.21 -5.07 121.20 109.83 2qty s ILE 278 Ca 0.06 -0.06 -0.33 0.00 -2.23 0.00 0.00 60.65 58.08 2qty s ILE 278 Cb 0.09 -0.27 -0.13 0.00 -1.58 0.00 0.00 42.46 40.57 2qty s ILE 278 CO 0.53 0.11 1.66 -2.65 -1.23 0.00 0.00 174.94 173.36 2qty n PRO 279 N 3.48 2.31 0.00 2.79 -0.02 -1.26 -4.55 135.00 137.75 2qty n PRO 279 Ca -0.19 0.84 0.10 0.00 -2.02 0.00 0.00 63.50 62.23 2qty n PRO 279 Cb 0.55 -2.64 0.52 0.00 -0.02 0.00 0.00 33.50 31.91 2qty n PRO 279 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qty n SER 280 N 4.06 0.00 -0.01 2.55 3.41 -1.26 -3.50 113.62 118.86 2qty n SER 280 Ca 0.18 0.10 0.14 0.00 -0.26 0.00 0.00 58.87 59.02 2qty n SER 280 Cb 0.31 -0.33 0.58 0.00 -0.26 0.00 0.00 64.21 64.50 2qty n SER 280 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qty n THR 281 N -1.33 0.00 -2.87 6.66 -2.24 -1.26 -4.75 114.28 108.49 2qty n THR 281 Ca 0.09 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 2qty n THR 281 Cb 0.19 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 2qty n THR 281 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2qty s PHE 282 N -2.90 3.49 0.84 4.78 0.08 -1.23 -5.08 117.98 117.95 2qty s PHE 282 Ca 0.17 0.95 -0.12 0.00 0.12 0.00 0.00 56.93 58.04 2qty s PHE 282 Cb 0.19 -2.37 0.10 0.00 -0.57 0.00 0.00 43.02 40.36 2qty s PHE 282 CO 0.54 -0.11 1.18 0.54 -0.10 0.00 0.00 175.22 177.28 2qty s ASN 283 N -3.34 4.23 0.22 1.36 2.20 -1.26 -4.74 114.94 113.61 2qty s ASN 283 Ca 0.50 0.78 -0.09 0.00 -0.94 0.00 0.00 52.86 53.11 2qty s ASN 283 Cb -0.10 -1.26 0.20 0.00 -2.00 0.00 0.00 41.25 38.09 2qty s ASN 283 CO 0.34 -2.08 1.88 0.28 -2.94 0.00 0.00 177.10 174.58 2qty h SER 284 N -1.18 0.88 -0.34 3.54 0.02 -1.94 -0.58 113.55 113.96 2qty h SER 284 Ca -0.47 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 2qty h SER 284 Cb 1.32 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2qty h SER 284 CO 0.64 0.63 0.17 0.25 -1.14 0.00 0.00 176.83 177.37 2qty h LEU 285 N 1.04 0.43 -0.46 5.07 6.46 -1.88 -0.59 115.31 125.38 2qty h LEU 285 Ca 0.30 -0.11 0.06 0.00 -0.12 0.00 0.00 57.88 58.02 2qty h LEU 285 Cb -0.07 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.70 2qty h LEU 285 CO -0.08 0.42 0.15 1.56 -0.62 0.00 0.00 178.44 179.87 2qty h GLN 286 N 0.41 0.31 -0.78 1.25 4.20 -1.65 -2.48 115.11 116.38 2qty h GLN 286 Ca 0.12 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 2qty h GLN 286 Cb 0.09 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2qty h GLN 286 CO -0.02 0.20 0.28 0.00 -0.67 0.00 0.00 178.83 178.63 2qty h ARG 287 N 0.32 1.18 -0.50 1.46 3.08 -0.89 -0.10 114.38 118.94 2qty h ARG 287 Ca 0.22 -0.23 0.09 0.00 0.07 0.00 0.00 59.98 60.13 2qty h ARG 287 Cb 0.23 -0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 2qty h ARG 287 CO -0.23 0.98 0.05 1.15 -1.07 0.00 0.00 179.97 180.85 2qty h THR 288 N 1.14 0.67 -0.04 2.04 2.02 -0.68 0.15 112.91 118.22 2qty h THR 288 Ca 0.25 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 2qty h THR 288 Cb 0.26 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2qty h THR 288 CO -0.01 0.03 -0.03 -0.07 0.37 0.00 0.00 175.52 175.81 2qty h LEU 289 N 0.18 0.09 -0.13 2.58 3.38 -0.99 -1.92 115.31 118.50 2qty h LEU 289 Ca 0.25 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2qty h LEU 289 Cb 0.36 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2qty h LEU 289 CO -0.37 0.52 0.02 0.40 0.09 0.00 0.00 178.44 179.10 2qty h ILE 290 N -0.34 0.93 -0.10 1.22 2.04 -0.66 -2.37 117.51 118.24 2qty h ILE 290 Ca 0.01 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2qty h ILE 290 Cb 0.49 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2qty h ILE 290 CO 0.01 0.01 0.06 0.22 0.00 0.00 0.00 178.15 178.45 2qty h TYR 291 N 0.07 0.13 -0.54 1.37 3.20 -0.73 -0.74 116.97 119.74 2qty h TYR 291 Ca 0.06 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.03 2qty h TYR 291 Cb 0.06 -0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.19 2qty h TYR 291 CO -0.13 0.14 0.01 0.77 -1.64 0.00 0.00 178.16 177.31 2qty h SER 292 N 0.09 -0.21 0.02 -2.11 0.02 -1.31 -2.22 113.55 107.83 2qty h SER 292 Ca 0.04 0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 2qty h SER 292 Cb 0.04 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2qty h SER 292 CO -0.01 -0.08 -0.45 0.40 -1.14 0.00 0.00 176.83 175.56 2qty h ILE 293 N 0.13 1.31 0.00 3.27 2.04 -1.19 -2.82 117.51 120.25 2qty h ILE 293 Ca 0.27 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 2qty h ILE 293 Cb 0.42 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2qty h ILE 293 CO -0.44 0.51 -0.01 0.77 0.00 0.00 0.00 178.15 178.98 2qty h SER 294 N 0.42 0.00 1.03 1.72 4.64 -0.52 -1.87 113.55 118.97 2qty h SER 294 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2qty h SER 294 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2qty h SER 294 CO 0.08 0.01 0.00 -0.07 -0.87 0.00 0.00 176.83 175.98 2qty h LEU 295 N 0.00 0.00 0.00 5.97 3.38 -1.26 -3.38 115.31 120.03 2qty h LEU 295 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qty h LEU 295 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qty h LEU 295 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2qty n GLY 296 N 0.38 -1.62 7.00 0.83 0.00 -0.70 -4.81 105.19 106.27 2qty n GLY 296 Ca 0.03 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2qty n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qty n GLY 297 N 0.00 0.90 2.65 -0.02 0.00 0.55 -4.21 105.19 105.06 2qty n GLY 297 Ca 0.00 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2qty n GLY 297 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qty n ASP 298 N 5.60 5.34 -0.12 1.61 -0.08 0.17 -0.29 116.55 128.78 2qty n ASP 298 Ca 0.00 -2.85 -0.12 0.00 -1.51 0.00 0.00 54.79 50.32 2qty n ASP 298 Cb 0.00 -1.59 -0.03 0.00 2.34 0.00 0.00 41.12 41.84 2qty n ASP 298 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2qty h THR 299 N 3.67 1.28 -0.89 5.18 1.35 -1.82 0.02 112.91 121.69 2qty h THR 299 Ca 0.61 -1.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.25 2qty h THR 299 Cb 0.54 1.33 -0.04 0.00 -1.73 0.00 0.00 68.15 68.25 2qty h THR 299 CO 1.80 0.39 0.49 -2.24 -0.25 0.00 0.00 175.52 175.72 2qty h ASP 300 N 0.49 1.11 0.31 5.36 2.03 -1.81 -1.68 116.42 122.23 2qty h ASP 300 Ca 0.08 -0.10 -0.33 0.00 -0.73 0.00 0.00 57.03 55.96 2qty h ASP 300 Cb 0.64 -0.28 0.03 0.00 -0.83 0.00 0.00 39.33 38.88 2qty h ASP 300 CO 0.04 0.89 -1.51 0.74 -1.03 0.00 0.00 179.24 178.38 2qty h THR 301 N 1.25 1.24 -0.52 1.15 2.02 -1.78 -0.08 112.91 116.19 2qty h THR 301 Ca 0.32 -2.72 -0.12 0.00 0.77 0.00 0.00 66.41 64.65 2qty h THR 301 Cb 0.02 2.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 2qty h THR 301 CO -0.05 0.83 -0.14 0.40 0.37 0.00 0.00 175.52 176.93 2qty h ILE 302 N 0.13 1.27 -0.34 3.11 2.04 -1.02 -2.19 117.51 120.50 2qty h ILE 302 Ca -0.26 -1.30 -0.15 0.00 1.00 0.00 0.00 64.86 64.16 2qty h ILE 302 Cb 2.13 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 39.23 2qty h ILE 302 CO 0.24 0.46 -0.36 0.00 0.00 0.00 0.00 178.15 178.49 2qty h ALA 303 N 0.90 0.50 -0.36 1.87 0.00 -1.34 -0.77 119.26 120.07 2qty h ALA 303 Ca 0.13 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qty h ALA 303 Cb 0.71 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2qty h ALA 303 CO 0.05 0.58 0.20 0.00 0.00 0.00 0.00 179.25 180.09 2qty h THR 304 N 0.63 1.11 0.07 0.00 1.03 -0.90 0.15 112.91 115.00 2qty h THR 304 Ca 0.05 -0.26 -0.11 0.00 -0.01 0.00 0.00 66.41 66.08 2qty h THR 304 Cb 0.95 0.62 0.01 0.00 -1.07 0.00 0.00 68.15 68.66 2qty h THR 304 CO 0.09 0.12 -0.46 0.24 -0.01 0.00 0.00 175.52 175.50 2qty h MET 305 N 0.49 0.18 -0.91 0.00 2.07 -1.18 -1.75 114.93 113.82 2qty h MET 305 Ca 0.13 -0.29 0.07 0.00 -2.07 0.00 0.00 59.70 57.53 2qty h MET 305 Cb 0.00 0.11 -0.07 0.00 -1.87 0.00 0.00 31.60 29.77 2qty h MET 305 CO -0.02 1.12 0.57 0.00 1.07 0.00 0.00 176.91 179.66 2qty h ALA 306 N 0.07 1.27 -0.27 6.32 0.00 -1.11 -2.70 119.26 122.84 2qty h ALA 306 Ca -0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2qty h ALA 306 Cb 1.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2qty h ALA 306 CO 0.09 0.32 -0.33 0.78 0.00 0.00 0.00 179.25 180.11 2qty h GLY 307 N 1.04 0.64 0.91 0.00 0.00 -0.70 -0.76 103.07 104.19 2qty h GLY 307 Ca 0.40 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2qty h GLY 307 CO -0.18 0.53 0.14 0.00 0.00 0.00 0.00 176.54 177.03 2qty h ALA 308 N 1.14 0.32 -0.01 3.60 0.00 -1.01 0.14 119.26 123.44 2qty h ALA 308 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qty h ALA 308 Cb 0.82 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2qty h ALA 308 CO 0.07 -0.25 0.00 0.82 0.00 0.00 0.00 179.25 179.89 2qty h ILE 309 N 0.29 1.24 -0.63 0.00 2.04 -1.30 -2.39 117.51 116.77 2qty h ILE 309 Ca 0.10 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2qty h ILE 309 Cb 0.01 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2qty h ILE 309 CO -0.06 0.19 0.40 0.00 0.00 0.00 0.00 178.15 178.68 2qty h ALA 310 N 0.70 0.80 -0.69 1.87 0.00 -1.13 -1.28 119.26 119.54 2qty h ALA 310 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2qty h ALA 310 Cb 0.30 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2qty h ALA 310 CO 0.00 0.26 0.34 0.78 0.00 0.00 0.00 179.25 180.63 2qty h GLY 311 N 0.86 1.03 1.46 0.00 0.00 -0.67 0.21 103.07 105.96 2qty h GLY 311 Ca 0.23 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 2qty h GLY 311 CO -0.05 0.06 -0.23 0.00 0.00 0.00 0.00 176.54 176.33 2qty h ALA 312 N 1.42 1.00 0.02 3.60 0.00 -1.06 0.14 119.26 124.37 2qty h ALA 312 Ca 0.34 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 2qty h ALA 312 Cb 0.34 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2qty h ALA 312 CO -0.26 0.59 -0.87 -0.92 0.00 0.00 0.00 179.25 177.79 2qty h TYR 313 N 0.55 0.84 0.00 0.00 3.20 -0.74 -3.39 116.97 117.43 2qty h TYR 313 Ca 0.08 -0.47 0.00 0.00 3.14 0.00 0.00 58.73 61.48 2qty h TYR 313 Cb 0.69 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2qty h TYR 313 CO 0.03 1.30 -1.95 0.66 -1.64 0.00 0.00 178.16 176.57 2qty n TYR 314 N -4.01 0.05 -0.68 -3.82 4.01 0.70 -4.87 117.16 108.52 2qty n TYR 314 Ca -0.11 0.01 0.05 0.00 -0.16 0.00 0.00 57.90 57.69 2qty n TYR 314 Cb 0.80 -0.52 -0.01 0.00 -0.31 0.00 0.00 39.34 39.30 2qty n TYR 314 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qty n GLY 315 N 1.26 -2.15 0.25 2.72 0.00 0.47 -3.98 105.19 103.76 2qty n GLY 315 Ca -0.04 -1.43 0.17 0.00 0.00 0.00 0.00 46.02 44.72 2qty n GLY 315 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qty h MET 316 N 0.00 0.00 -0.53 1.61 2.86 -1.73 -2.84 114.93 114.30 2qty h MET 316 Ca 0.01 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.78 2qty h MET 316 Cb 0.31 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 2qty h MET 316 CO 0.00 0.00 0.37 0.93 1.06 0.00 0.00 176.91 179.27 2qty h GLU 317 N 0.00 0.11 -0.15 1.72 3.07 -1.90 -2.40 114.58 115.04 2qty h GLU 317 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2qty h GLU 317 Cb 0.07 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2qty h GLU 317 CO 0.00 0.07 0.00 1.04 -1.40 0.00 0.00 179.01 178.72 2qty n GLN 318 N -4.42 1.51 -2.57 2.33 6.02 -1.07 -4.94 117.38 114.25 2qty n GLN 318 Ca 0.09 -1.55 -0.43 0.00 -0.01 0.00 0.00 57.00 55.10 2qty n GLN 318 Cb 0.52 -1.25 -0.02 0.00 1.02 0.00 0.00 30.24 30.51 2qty n GLN 318 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2qty s VAL 319 N -1.00 4.33 0.07 5.09 1.01 -0.90 -4.58 120.40 124.41 2qty s VAL 319 Ca 0.18 1.48 -0.31 0.00 0.00 0.00 0.00 61.98 63.34 2qty s VAL 319 Cb 0.11 -4.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 2qty s VAL 319 CO 0.16 -0.61 1.40 -2.84 0.00 0.00 0.00 175.10 173.21 2qty s PRO 320 N 4.01 4.30 0.18 2.72 0.02 -1.26 -4.94 135.00 140.03 2qty s PRO 320 Ca 0.49 2.03 -0.14 0.00 0.02 0.00 0.00 61.00 63.41 2qty s PRO 320 Cb -0.12 -3.40 0.09 0.00 0.02 0.00 0.00 34.50 31.09 2qty s PRO 320 CO 0.22 -0.50 1.82 0.93 -0.33 0.00 0.00 177.00 179.14 2qty h GLU 321 N 7.30 0.64 -0.81 5.54 5.08 -1.95 -1.18 114.58 129.19 2qty h GLU 321 Ca -0.41 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 2qty h GLU 321 Cb 1.20 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 2qty h GLU 321 CO 0.88 0.42 0.42 0.66 -1.00 0.00 0.00 179.01 180.39 2qty h SER 322 N 0.66 1.04 0.17 1.42 4.64 -1.92 0.14 113.55 119.71 2qty h SER 322 Ca 0.20 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 2qty h SER 322 Cb -0.02 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 2qty h SER 322 CO -0.07 0.86 -0.08 -0.50 -0.87 0.00 0.00 176.83 176.16 2qty h TRP 323 N 1.15 -0.21 -0.35 4.77 4.06 -1.77 -3.00 115.95 120.60 2qty h TRP 323 Ca 0.28 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.25 2qty h TRP 323 Cb 0.08 0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.28 2qty h TRP 323 CO 0.01 0.16 0.18 0.37 -3.56 0.00 0.00 178.44 175.60 2qty h GLN 324 N -0.65 0.36 0.00 0.49 4.15 -1.02 -1.73 115.11 116.71 2qty h GLN 324 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2qty h GLN 324 Cb 0.47 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2qty h GLN 324 CO 0.04 0.24 0.00 1.04 -1.93 0.00 0.00 178.83 178.22 2qty n GLN 325 N -4.93 0.05 0.00 1.69 6.02 0.48 -1.36 117.38 119.32 2qty n GLN 325 Ca 0.00 0.26 0.13 0.00 -0.01 0.00 0.00 57.00 57.38 2qty n GLN 325 Cb 0.08 -1.50 0.37 0.00 1.02 0.00 0.00 30.24 30.21 2qty n GLN 325 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2qty n SER 326 N -1.44 0.57 -4.74 1.08 7.64 -0.65 -4.92 113.62 111.15 2qty n SER 326 Ca 0.04 -0.37 -0.37 0.00 1.01 0.00 0.00 58.87 59.17 2qty n SER 326 Cb 0.13 0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 2qty n SER 326 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qty n GLU 328 N 3.33 2.23 -1.63 0.00 2.13 -0.29 -2.06 120.64 124.35 2qty n GLU 328 Ca -0.10 0.81 -0.05 0.00 0.66 0.00 0.00 57.16 58.48 2qty n GLU 328 Cb 0.52 -2.64 -0.01 0.00 0.27 0.00 0.00 31.44 29.58 2qty n GLU 328 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qty n GLY 329 N 4.03 0.47 0.22 8.31 0.00 -1.26 -4.77 105.19 112.19 2qty n GLY 329 Ca 0.20 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.52 2qty n GLY 329 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2qty h PHE 330 N 0.00 0.02 -0.09 1.61 -0.00 -1.71 -1.75 116.94 115.02 2qty h PHE 330 Ca -0.12 -0.00 -0.23 0.00 -0.00 0.00 0.00 57.97 57.62 2qty h PHE 330 Cb 0.72 -0.01 0.01 0.00 -0.00 0.00 0.00 35.95 36.67 2qty h PHE 330 CO 0.14 0.21 -0.87 0.93 -0.00 0.00 0.00 178.31 178.73 2qty h GLU 331 N 0.02 0.72 -0.45 6.09 5.08 -1.91 -2.37 114.58 121.75 2qty h GLU 331 Ca 0.00 -0.65 -0.04 0.00 -1.00 0.00 0.00 59.36 57.68 2qty h GLU 331 Cb 0.34 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2qty h GLU 331 CO 0.02 1.25 0.14 0.93 -1.00 0.00 0.00 179.01 180.35 2qty h GLU 332 N 0.46 0.70 -0.58 2.33 3.07 -1.90 -1.81 114.58 116.85 2qty h GLU 332 Ca -0.08 -0.15 0.08 0.00 -0.50 0.00 0.00 59.36 58.71 2qty h GLU 332 Cb 1.50 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 29.24 2qty h GLU 332 CO 0.17 0.67 0.23 1.15 -1.40 0.00 0.00 179.01 179.84 2qty h THR 333 N 0.59 0.82 -0.63 1.13 2.02 -1.31 -0.51 112.91 115.02 2qty h THR 333 Ca 0.15 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2qty h THR 333 Cb 0.26 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2qty h THR 333 CO -0.00 0.08 0.14 -0.78 0.37 0.00 0.00 175.52 175.32 2qty h ASP 334 N 0.43 0.97 -0.67 4.18 3.58 -1.04 -1.46 116.42 122.42 2qty h ASP 334 Ca 0.28 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 2qty h ASP 334 Cb 0.31 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2qty h ASP 334 CO -0.26 0.96 0.30 0.58 -2.88 0.00 0.00 179.24 177.94 2qty h VAL 335 N 0.94 1.23 -0.54 2.25 2.07 -0.86 -1.39 116.25 119.95 2qty h VAL 335 Ca 0.20 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 2qty h VAL 335 Cb 0.38 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2qty h VAL 335 CO 0.01 0.28 0.15 -0.07 0.02 0.00 0.00 177.57 177.95 2qty h LEU 336 N 0.94 0.75 -0.42 2.57 3.38 -0.72 0.31 115.31 122.13 2qty h LEU 336 Ca 0.23 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2qty h LEU 336 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2qty h LEU 336 CO -0.02 0.73 -0.06 0.00 0.09 0.00 0.00 178.44 179.18 2qty h ALA 337 N 1.38 0.57 -0.85 1.53 0.00 -1.01 -0.50 119.26 120.37 2qty h ALA 337 Ca 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2qty h ALA 337 Cb 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2qty h ALA 337 CO -0.01 0.41 0.44 1.96 0.00 0.00 0.00 179.25 182.05 2qty h GLN 338 N 0.60 1.20 -0.67 0.00 4.20 -0.87 -2.42 115.11 117.15 2qty h GLN 338 Ca 0.11 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2qty h GLN 338 Cb 0.57 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2qty h GLN 338 CO 0.03 0.90 0.14 0.77 -0.67 0.00 0.00 178.83 180.01 2qty h SER 339 N 1.20 1.02 -0.63 1.46 0.02 -0.58 -1.41 113.55 114.63 2qty h SER 339 Ca 0.30 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2qty h SER 339 Cb 0.07 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 2qty h SER 339 CO -0.04 1.00 0.26 -0.07 -1.14 0.00 0.00 176.83 176.84 2qty h LEU 340 N 1.00 0.86 -0.62 5.07 3.38 -0.88 -0.58 115.31 123.53 2qty h LEU 340 Ca 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2qty h LEU 340 Cb 0.39 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2qty h LEU 340 CO 0.01 0.78 0.26 -0.74 0.09 0.00 0.00 178.44 178.84 2qty h HIS 341 N 0.87 0.94 -0.12 1.13 2.76 -1.18 -0.18 115.15 119.37 2qty h HIS 341 Ca 0.21 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2qty h HIS 341 Cb 0.19 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 2qty h HIS 341 CO 0.01 0.73 -0.06 -0.09 -1.30 0.00 0.00 177.93 177.22 2qty h ARG 342 N 0.87 0.26 -0.36 5.26 2.43 -0.88 0.31 114.38 122.27 2qty h ARG 342 Ca 0.21 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 2qty h ARG 342 Cb 0.19 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2qty h ARG 342 CO -0.02 0.61 -0.22 0.28 -1.51 0.00 0.00 179.97 179.11 2qty h VAL 343 N -0.09 1.29 0.00 0.20 2.07 -1.04 -3.35 116.25 115.33 2qty h VAL 343 Ca 0.03 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 2qty h VAL 343 Cb 0.53 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2qty h VAL 343 CO 0.02 0.45 -1.64 0.49 0.02 0.00 0.00 177.57 176.91 2qty n PHE 344 N -4.25 0.00 -0.04 1.57 3.72 -0.09 -4.83 117.46 113.54 2qty n PHE 344 Ca -0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.32 2qty n PHE 344 Cb 0.44 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 2qty n PHE 344 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2qty n GLN 345 N -2.00 0.19 -2.21 -1.08 -0.06 0.77 -4.97 117.38 108.02 2qty n GLN 345 Ca -0.03 0.05 -0.36 0.00 -2.00 0.00 0.00 57.00 54.66 2qty n GLN 345 Cb 0.38 -1.09 0.00 0.00 -4.06 0.00 0.00 30.24 25.47 2qty n GLN 345 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2qty s GLU 346 N -2.16 3.48 0.00 3.69 2.02 0.66 -5.01 118.70 121.38 2qty s GLU 346 Ca -0.11 1.73 0.13 0.00 0.02 0.00 0.00 54.97 56.75 2qty s GLU 346 Cb 0.03 -2.18 0.11 0.00 0.10 0.00 0.00 34.13 32.19 2qty s GLU 346 CO 0.17 -0.77 0.93 0.43 0.02 0.00 0.00 175.26 176.04