#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqa h LEU 4 N 0.00 0.00 0.00 -2.12 3.38 -2.00 -3.48 115.31 111.09 2qqa h LEU 4 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qqa h LEU 4 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qqa h LEU 4 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.05 2qqa n VAL 5 N -2.69 0.00 -3.91 1.22 0.31 -1.26 -4.41 118.33 107.60 2qqa n VAL 5 Ca 0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.05 2qqa n VAL 5 Cb 0.35 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.13 2qqa n VAL 5 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qqa s ASP 6 N 0.00 4.05 0.06 4.52 3.68 -1.26 -5.03 116.67 122.69 2qqa s ASP 6 Ca 0.00 -1.46 -0.19 0.00 2.13 0.00 0.00 52.55 53.02 2qqa s ASP 6 Cb 0.00 -1.19 -0.12 0.00 -1.45 0.00 0.00 42.92 40.16 2qqa s ASP 6 CO 0.00 -0.30 1.40 0.71 0.13 0.00 0.00 175.17 177.10 2qqa h THR 7 N 6.62 1.32 -0.44 1.71 1.35 -2.00 -1.62 112.91 119.84 2qqa h THR 7 Ca -0.14 -1.22 0.06 0.00 -0.55 0.00 0.00 66.41 64.56 2qqa h THR 7 Cb 1.05 1.71 -0.05 0.00 -1.73 0.00 0.00 68.15 69.12 2qqa h THR 7 CO 0.44 0.37 0.13 0.74 -0.25 0.00 0.00 175.52 176.95 2qqa h THR 8 N 0.10 0.82 -0.33 6.82 2.02 -1.95 -0.49 112.91 119.90 2qqa h THR 8 Ca 0.04 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 2qqa h THR 8 Cb 0.63 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2qqa h THR 8 CO 0.03 0.05 -0.13 0.00 0.37 0.00 0.00 175.52 175.85 2qqa h ALA 9 N 1.31 1.16 -0.40 6.16 0.00 -1.94 -2.31 119.26 123.25 2qqa h ALA 9 Ca 0.21 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2qqa h ALA 9 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qqa h ALA 9 CO -0.24 0.53 0.02 0.52 0.00 0.00 0.00 179.25 180.09 2qqa h MET 10 N 0.53 0.68 -0.64 0.00 2.86 -0.14 -0.66 114.93 117.56 2qqa h MET 10 Ca 0.09 -0.21 0.07 0.00 -2.06 0.00 0.00 59.70 57.60 2qqa h MET 10 Cb 0.53 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.06 2qqa h MET 10 CO 0.03 0.76 0.32 1.88 1.06 0.00 0.00 176.91 180.96 2qqa h TYR 11 N 0.52 0.57 -0.41 -0.22 -1.99 -1.03 -1.50 116.97 112.90 2qqa h TYR 11 Ca 0.11 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 2qqa h TYR 11 Cb 0.44 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 2qqa h TYR 11 CO 0.03 0.23 0.16 -0.07 -0.00 0.00 0.00 178.16 178.52 2qqa h LEU 12 N 0.57 0.58 -1.19 3.88 3.38 -1.23 -1.01 115.31 120.29 2qqa h LEU 12 Ca 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2qqa h LEU 12 Cb 0.28 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2qqa h LEU 12 CO -0.23 0.59 0.38 -0.09 0.09 0.00 0.00 178.44 179.18 2qqa h ARG 13 N 0.53 0.94 -0.22 1.13 2.43 -1.04 -1.11 114.38 117.03 2qqa h ARG 13 Ca 0.14 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 2qqa h ARG 13 Cb 0.20 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2qqa h ARG 13 CO -0.01 0.69 -0.26 1.15 -1.51 0.00 0.00 179.97 180.02 2qqa h THR 14 N 0.95 1.32 -0.32 0.20 2.02 -1.15 -1.74 112.91 114.20 2qqa h THR 14 Ca 0.24 -1.45 0.07 0.00 0.77 0.00 0.00 66.41 66.05 2qqa h THR 14 Cb 0.02 1.74 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 2qqa h THR 14 CO -0.04 0.45 -0.23 0.40 0.37 0.00 0.00 175.52 176.47 2qqa h ILE 15 N 0.26 0.39 -0.59 3.11 2.04 -1.05 -0.93 117.51 120.75 2qqa h ILE 15 Ca 0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.01 2qqa h ILE 15 Cb 0.83 0.39 -0.10 0.00 -0.74 0.00 0.00 36.82 37.20 2qqa h ILE 15 CO 0.06 0.00 0.02 0.22 0.00 0.00 0.00 178.15 178.45 2qqa h TYR 16 N -0.20 -0.01 0.04 1.37 3.20 -1.12 -0.67 116.97 119.58 2qqa h TYR 16 Ca 0.16 0.04 -0.23 0.00 3.14 0.00 0.00 58.73 61.85 2qqa h TYR 16 Cb 0.45 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2qqa h TYR 16 CO -0.42 -0.14 -1.06 1.05 -1.64 0.00 0.00 178.16 175.96 2qqa h GLU 17 N 0.13 0.10 -0.26 1.82 4.11 -1.03 -0.21 114.58 119.25 2qqa h GLU 17 Ca 0.31 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2qqa h GLU 17 Cb 0.48 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2qqa h GLU 17 CO -0.49 1.06 0.17 -0.07 0.07 0.00 0.00 179.01 179.75 2qqa h LEU 18 N 0.03 0.30 -1.02 3.06 3.38 -0.88 -1.68 115.31 118.50 2qqa h LEU 18 Ca -0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2qqa h LEU 18 Cb 1.79 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.42 2qqa h LEU 18 CO 0.15 0.22 0.65 -0.33 0.09 0.00 0.00 178.44 179.22 2qqa h GLU 19 N 0.36 1.30 -0.87 1.13 5.08 -0.92 -1.35 114.58 119.30 2qqa h GLU 19 Ca 0.10 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2qqa h GLU 19 Cb -0.04 -0.29 -0.06 0.00 0.50 0.00 0.00 28.75 28.86 2qqa h GLU 19 CO -0.02 0.86 0.57 0.93 -1.00 0.00 0.00 179.01 180.35 2qqa h GLU 20 N 1.34 0.92 -0.01 2.33 5.08 -0.64 -1.95 114.58 121.65 2qqa h GLU 20 Ca 0.36 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2qqa h GLU 20 Cb -0.15 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 28.90 2qqa h GLU 20 CO -0.08 0.61 -0.02 0.39 -1.00 0.00 0.00 179.01 178.91 2qqa n GLU 21 N -4.49 1.15 -1.78 2.33 1.02 -0.67 -4.46 120.64 113.74 2qqa n GLU 21 Ca 0.13 -0.38 -0.12 0.00 -0.02 0.00 0.00 57.16 56.78 2qqa n GLU 21 Cb 0.22 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 2qqa n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qqa n GLY 22 N 1.12 0.59 3.80 0.62 0.00 -0.73 -3.32 105.19 107.28 2qqa n GLY 22 Ca 0.20 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2qqa n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qqa s VAL 23 N -2.51 5.22 0.03 1.61 1.01 -0.59 -4.42 120.40 120.75 2qqa s VAL 23 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 2qqa s VAL 23 Cb 0.00 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 2qqa s VAL 23 CO 0.00 0.51 1.72 0.28 0.00 0.00 0.00 175.10 177.61 2qqa s THR 24 N -0.49 3.17 -0.70 3.92 -1.32 -1.26 -3.76 115.64 115.20 2qqa s THR 24 Ca 0.20 0.45 -0.26 0.00 -1.21 0.00 0.00 61.69 60.86 2qqa s THR 24 Cb -0.14 -3.29 -0.02 0.00 -1.51 0.00 0.00 72.50 67.54 2qqa s THR 24 CO 0.08 -0.02 1.79 -2.16 -2.21 0.00 0.00 174.62 172.10 2qqa s PRO 25 N 3.36 2.72 0.19 7.08 0.04 -1.26 -4.94 135.00 142.19 2qqa s PRO 25 Ca 0.77 0.26 0.10 0.00 0.04 0.00 0.00 61.00 62.16 2qqa s PRO 25 Cb -0.39 -4.53 -0.04 0.00 0.04 0.00 0.00 34.50 29.58 2qqa s PRO 25 CO 0.33 -2.77 -0.13 -0.51 0.04 0.00 0.00 177.00 173.96 2qqa s LEU 26 N 8.71 2.83 0.37 -3.56 1.43 -1.26 -0.50 118.68 126.70 2qqa s LEU 26 Ca 0.63 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 2qqa s LEU 26 Cb -0.10 -1.52 0.75 0.00 0.03 0.00 0.00 46.19 45.34 2qqa s LEU 26 CO 0.15 0.11 2.01 0.03 0.23 0.00 0.00 176.35 178.87 2qqa h ARG 27 N 2.96 0.70 -0.05 1.70 3.08 -1.92 -2.27 114.38 118.57 2qqa h ARG 27 Ca -0.46 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.41 2qqa h ARG 27 Cb 1.21 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2qqa h ARG 27 CO 0.53 0.46 -0.59 0.00 -1.07 0.00 0.00 179.97 179.30 2qqa h ALA 28 N 1.65 0.92 -0.34 0.04 0.00 -1.96 -1.17 119.26 118.40 2qqa h ALA 28 Ca 0.24 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2qqa h ALA 28 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2qqa h ALA 28 CO -0.06 0.72 -0.35 0.00 0.00 0.00 0.00 179.25 179.56 2qqa h ARG 29 N 0.13 0.77 -0.59 0.00 2.47 -1.78 -1.39 114.38 113.99 2qqa h ARG 29 Ca -0.00 -0.38 -0.03 0.00 -1.26 0.00 0.00 59.98 58.31 2qqa h ARG 29 Cb 1.07 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.36 2qqa h ARG 29 CO 0.09 1.00 0.25 0.82 0.56 0.00 0.00 179.97 182.69 2qqa h ILE 30 N 0.64 1.22 -0.07 2.04 2.04 -1.35 -1.68 117.51 120.35 2qqa h ILE 30 Ca 0.06 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 2qqa h ILE 30 Cb 0.90 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2qqa h ILE 30 CO 0.08 0.26 0.04 0.00 0.00 0.00 0.00 178.15 178.53 2qqa h ALA 31 N 1.10 0.09 -0.15 1.87 0.00 -1.05 -1.41 119.26 119.70 2qqa h ALA 31 Ca 0.20 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2qqa h ALA 31 Cb 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2qqa h ALA 31 CO -0.02 -0.38 0.03 1.49 0.00 0.00 0.00 179.25 180.37 2qqa h GLU 32 N 0.04 0.10 -0.51 0.00 4.81 -1.23 0.24 114.58 118.03 2qqa h GLU 32 Ca 0.02 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2qqa h GLU 32 Cb 0.06 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2qqa h GLU 32 CO -0.00 0.06 0.06 -0.09 -0.73 0.00 0.00 179.01 178.31 2qqa h ARG 33 N 0.10 0.82 -0.12 1.92 9.65 -1.05 -2.83 114.38 122.87 2qqa h ARG 33 Ca 0.07 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2qqa h ARG 33 Cb 0.05 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2qqa h ARG 33 CO -0.08 0.79 0.00 1.28 2.80 0.00 0.00 179.97 184.75 2qqa n LEU 34 N -4.24 2.27 -3.87 3.80 4.77 -0.55 -4.94 117.00 114.24 2qqa n LEU 34 Ca 0.03 -0.85 -0.25 0.00 -0.03 0.00 0.00 56.01 54.92 2qqa n LEU 34 Cb 0.27 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2qqa n LEU 34 CO 0.41 0.42 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.13 2qqa n GLU 35 N 0.75 -3.99 -4.33 3.23 1.02 -0.42 -4.98 120.64 111.92 2qqa n GLU 35 Ca 0.17 0.49 -0.26 0.00 -0.02 0.00 0.00 57.16 57.54 2qqa n GLU 35 Cb 0.46 -4.84 -0.09 0.00 -0.02 0.00 0.00 31.44 26.94 2qqa n GLU 35 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2qqa s GLN 36 N -6.37 2.00 0.52 3.49 -1.52 -0.06 -5.04 119.66 112.67 2qqa s GLN 36 Ca 0.08 -1.39 -0.21 0.00 -1.95 0.00 0.00 55.36 51.88 2qqa s GLN 36 Cb -0.04 -2.07 -0.06 0.00 -0.22 0.00 0.00 33.01 30.61 2qqa s GLN 36 CO 0.86 0.40 1.18 -1.54 -0.25 0.00 0.00 175.29 175.95 2qqa s SER 37 N -3.08 5.77 0.17 5.90 1.04 -1.26 -4.40 113.70 117.84 2qqa s SER 37 Ca 0.26 2.33 -0.16 0.00 0.48 0.00 0.00 55.95 58.87 2qqa s SER 37 Cb -0.08 -2.60 0.10 0.00 0.10 0.00 0.00 66.02 63.55 2qqa s SER 37 CO 0.16 -1.19 1.70 1.23 0.98 0.00 0.00 173.24 176.11 2qqa h GLY 38 N 1.54 0.40 1.02 7.32 0.00 -1.93 -0.07 103.07 111.35 2qqa h GLY 38 Ca -0.50 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2qqa h GLY 38 CO 0.58 -0.09 0.49 -2.55 0.00 0.00 0.00 176.54 174.97 2qqa h PRO 39 N 0.11 1.16 -0.32 4.80 0.11 -1.99 0.06 132.00 135.95 2qqa h PRO 39 Ca 0.19 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 2qqa h PRO 39 Cb 0.27 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2qqa h PRO 39 CO -0.32 0.84 0.14 1.15 -0.21 0.00 0.00 178.00 179.60 2qqa h THR 40 N 1.17 1.17 -0.79 -1.15 2.02 -1.84 -0.73 112.91 112.76 2qqa h THR 40 Ca 0.30 -0.51 0.07 0.00 0.77 0.00 0.00 66.41 67.04 2qqa h THR 40 Cb -0.01 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 2qqa h THR 40 CO -0.05 0.18 0.46 0.58 0.37 0.00 0.00 175.52 177.06 2qqa h VAL 41 N 0.37 0.97 -0.50 3.16 2.07 -0.63 0.68 116.25 122.36 2qqa h VAL 41 Ca 0.11 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 2qqa h VAL 41 Cb 0.16 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 2qqa h VAL 41 CO -0.01 0.15 -0.15 -1.28 0.02 0.00 0.00 177.57 176.29 2qqa h SER 42 N 0.82 0.99 -0.32 0.57 0.87 -0.64 0.51 113.55 116.33 2qqa h SER 42 Ca 0.36 -0.34 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 2qqa h SER 42 Cb 0.25 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2qqa h SER 42 CO -0.21 1.13 -0.10 1.56 -0.53 0.00 0.00 176.83 178.68 2qqa h GLN 43 N 0.86 0.64 -0.65 2.24 4.20 -0.68 -1.69 115.11 120.03 2qqa h GLN 43 Ca 0.13 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 2qqa h GLN 43 Cb 0.72 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 2qqa h GLN 43 CO 0.05 0.83 0.18 1.15 -0.67 0.00 0.00 178.83 180.37 2qqa h THR 44 N 0.42 1.25 -0.69 -0.54 2.02 -0.40 -2.57 112.91 112.39 2qqa h THR 44 Ca 0.08 -0.90 0.09 0.00 0.77 0.00 0.00 66.41 66.45 2qqa h THR 44 Cb 0.61 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.55 2qqa h THR 44 CO 0.04 0.34 0.34 0.58 0.37 0.00 0.00 175.52 177.19 2qqa h VAL 45 N 0.95 0.85 -0.90 3.16 2.07 0.11 -0.70 116.25 121.80 2qqa h VAL 45 Ca 0.21 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2qqa h VAL 45 Cb 0.33 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 2qqa h VAL 45 CO -0.00 0.11 0.55 0.00 0.02 0.00 0.00 177.57 178.25 2qqa h ALA 46 N 1.42 1.26 -0.20 1.67 0.00 -1.11 -0.82 119.26 121.48 2qqa h ALA 46 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 2qqa h ALA 46 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2qqa h ALA 46 CO -0.26 0.27 -0.43 -0.09 0.00 0.00 0.00 179.25 178.73 2qqa h ARG 47 N 0.98 0.48 -0.41 0.00 2.43 -1.01 -1.84 114.38 115.02 2qqa h ARG 47 Ca 0.41 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2qqa h ARG 47 Cb 0.25 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2qqa h ARG 47 CO -0.20 0.83 -0.02 0.52 -1.51 0.00 0.00 179.97 179.59 2qqa h MET 48 N 0.40 0.66 0.02 0.20 2.86 -0.60 -1.26 114.93 117.21 2qqa h MET 48 Ca 0.03 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2qqa h MET 48 Cb 0.92 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2qqa h MET 48 CO 0.08 0.69 -0.01 0.93 1.06 0.00 0.00 176.91 179.66 2qqa h GLU 49 N 0.62 -0.03 -0.73 1.72 5.08 -0.91 -0.78 114.58 119.56 2qqa h GLU 49 Ca 0.12 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.64 2qqa h GLU 49 Cb 0.42 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2qqa h GLU 49 CO 0.02 0.24 0.49 0.00 -1.00 0.00 0.00 179.01 178.76 2qqa h ARG 50 N -0.29 0.35 -0.00 2.33 3.08 -1.31 -1.74 114.38 116.80 2qqa h ARG 50 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2qqa h ARG 50 Cb 0.27 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2qqa h ARG 50 CO 0.00 0.23 -0.17 -0.25 -1.07 0.00 0.00 179.97 178.72 2qqa n ASP 51 N -4.46 0.31 0.00 7.04 9.92 -0.48 -4.96 116.55 123.93 2qqa n ASP 51 Ca 0.14 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 2qqa n ASP 51 Cb 0.55 -0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2qqa n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qqa n GLY 52 N 1.40 0.74 0.06 0.44 0.00 -0.55 -4.96 105.19 102.32 2qqa n GLY 52 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2qqa n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qqa n LEU 53 N 0.00 0.04 -3.72 0.99 4.77 -0.41 -4.36 117.00 114.31 2qqa n LEU 53 Ca 0.00 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2qqa n LEU 53 Cb 0.00 0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2qqa n LEU 53 CO 0.00 0.24 0.07 0.68 -1.33 0.00 0.00 177.39 177.05 2qqa s VAL 54 N -3.00 0.09 -0.02 4.08 -7.23 -1.25 -1.71 120.40 111.36 2qqa s VAL 54 Ca -0.09 -0.76 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 2qqa s VAL 54 Cb 0.10 -1.18 -0.00 0.00 0.56 0.00 0.00 36.38 35.86 2qqa s VAL 54 CO 0.87 -0.42 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.44 2qqa s VAL 55 N -3.60 0.85 -0.43 1.32 1.01 0.14 -4.19 120.40 115.50 2qqa s VAL 55 Ca 0.02 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 2qqa s VAL 55 Cb 0.02 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.68 2qqa s VAL 55 CO -0.10 0.26 0.73 -0.69 0.00 0.00 0.00 175.10 175.29 2qqa s VAL 56 N 0.03 4.73 0.91 2.92 1.01 -1.26 -1.27 120.40 127.46 2qqa s VAL 56 Ca -0.01 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 2qqa s VAL 56 Cb -0.07 -4.26 0.14 0.00 0.00 0.00 0.00 36.38 32.18 2qqa s VAL 56 CO 0.00 -0.63 1.10 0.00 0.00 0.00 0.00 175.10 175.57 2qqa s ALA 57 N 3.08 1.55 0.49 5.51 0.00 0.20 -4.82 121.76 127.77 2qqa s ALA 57 Ca 0.27 -0.24 0.16 0.00 0.00 0.00 0.00 51.96 52.15 2qqa s ALA 57 Cb -0.13 -3.13 1.19 0.00 0.00 0.00 0.00 23.12 21.05 2qqa s ALA 57 CO 0.21 -2.36 2.07 0.66 0.00 0.00 0.00 175.76 176.34 2qqa h SER 58 N -1.55 0.14 -0.28 0.00 4.64 -1.98 0.57 113.55 115.10 2qqa h SER 58 Ca -0.51 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2qqa h SER 58 Cb 1.30 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2qqa h SER 58 CO 0.57 0.09 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 2qqa n ASP 59 N -4.48 1.51 0.00 4.97 3.85 -1.26 -4.95 116.55 116.19 2qqa n ASP 59 Ca 0.03 -2.01 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 2qqa n ASP 59 Cb 0.25 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 2qqa n ASP 59 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2qqa n ARG 60 N 0.31 0.00 -2.60 0.11 5.12 0.19 -5.02 116.66 114.77 2qqa n ARG 60 Ca 0.09 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.66 2qqa n ARG 60 Cb 0.24 -1.77 -0.04 0.00 -1.16 0.00 0.00 32.46 29.72 2qqa n ARG 60 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2qqa s SER 61 N -2.81 6.63 -0.06 0.55 1.04 -1.26 -4.49 113.70 113.30 2qqa s SER 61 Ca 0.00 1.93 -0.24 0.00 0.48 0.00 0.00 55.95 58.11 2qqa s SER 61 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2qqa s SER 61 CO 0.00 -0.58 0.73 -0.76 0.98 0.00 0.00 173.24 173.61 2qqa s LEU 62 N -3.06 4.32 -0.25 2.42 1.43 0.34 -0.62 118.68 123.25 2qqa s LEU 62 Ca 0.62 1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 54.95 2qqa s LEU 62 Cb -0.17 -3.14 0.03 0.00 0.03 0.00 0.00 46.19 42.94 2qqa s LEU 62 CO 0.22 -0.13 -0.07 -1.10 0.23 0.00 0.00 176.35 175.50 2qqa s GLN 63 N 0.83 2.76 0.24 1.70 -0.21 -0.40 -4.77 119.66 119.82 2qqa s GLN 63 Ca 0.39 -1.03 -0.30 0.00 0.02 0.00 0.00 55.36 54.45 2qqa s GLN 63 Cb -0.18 -2.97 -0.09 0.00 1.00 0.00 0.00 33.01 30.76 2qqa s GLN 63 CO 0.19 -0.42 1.28 -1.64 -2.12 0.00 0.00 175.29 172.57 2qqa s MET 64 N 1.30 4.42 0.78 2.91 -1.94 -1.26 -0.69 119.30 124.82 2qqa s MET 64 Ca -0.01 2.05 -0.11 0.00 -1.71 0.00 0.00 55.69 55.92 2qqa s MET 64 Cb -0.17 -3.16 0.06 0.00 2.01 0.00 0.00 34.83 33.57 2qqa s MET 64 CO -0.05 -0.17 1.10 0.95 -0.01 0.00 0.00 175.02 176.85 2qqa s THR 65 N -0.39 3.21 0.39 2.05 -4.23 -0.69 -4.71 115.64 111.27 2qqa s THR 65 Ca 0.53 0.40 0.16 0.00 -1.18 0.00 0.00 61.69 61.60 2qqa s THR 65 Cb -0.37 -2.85 0.37 0.00 1.34 0.00 0.00 72.50 71.00 2qqa s THR 65 CO 0.42 -0.51 1.81 -0.65 -0.54 0.00 0.00 174.62 175.15 2qqa h PRO 66 N -1.14 0.44 -0.29 3.99 0.11 -1.90 0.11 132.00 133.32 2qqa h PRO 66 Ca -0.44 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 2qqa h PRO 66 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2qqa h PRO 66 CO 0.51 0.29 -0.20 1.15 -0.21 0.00 0.00 178.00 179.54 2qqa h THR 67 N 0.45 1.30 -0.59 -1.15 2.02 -1.90 -0.50 112.91 112.54 2qqa h THR 67 Ca 0.54 -1.33 0.04 0.00 0.77 0.00 0.00 66.41 66.43 2qqa h THR 67 Cb 1.28 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 2qqa h THR 67 CO -0.26 0.42 0.34 1.23 0.37 0.00 0.00 175.52 177.63 2qqa h GLY 68 N 0.38 0.85 0.91 2.16 0.00 -1.39 -2.20 103.07 103.77 2qqa h GLY 68 Ca 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2qqa h GLY 68 CO 0.05 0.18 0.09 -0.09 0.00 0.00 0.00 176.54 176.77 2qqa h ARG 69 N 0.65 0.51 -0.67 4.80 2.43 -0.70 0.11 114.38 121.52 2qqa h ARG 69 Ca 0.25 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 2qqa h ARG 69 Cb 0.09 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 2qqa h ARG 69 CO -0.14 0.57 0.35 1.15 -1.51 0.00 0.00 179.97 180.39 2qqa h THR 70 N 0.37 0.90 -0.21 0.20 2.02 -0.95 -0.37 112.91 114.86 2qqa h THR 70 Ca 0.10 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 2qqa h THR 70 Cb 0.28 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2qqa h THR 70 CO -0.00 0.11 -0.03 0.25 0.37 0.00 0.00 175.52 176.22 2qqa h LEU 71 N 0.62 0.39 -0.98 2.58 5.85 -1.08 -1.00 115.31 121.70 2qqa h LEU 71 Ca 0.32 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2qqa h LEU 71 Cb 0.28 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 2qqa h LEU 71 CO -0.23 0.65 0.63 0.00 -0.34 0.00 0.00 178.44 179.15 2qqa h ALA 72 N 0.76 1.37 -0.19 1.25 0.00 -0.56 0.51 119.26 122.40 2qqa h ALA 72 Ca 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2qqa h ALA 72 Cb 0.47 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2qqa h ALA 72 CO 0.02 0.40 -0.05 1.15 0.00 0.00 0.00 179.25 180.76 2qqa h THR 73 N 1.13 1.29 -0.60 0.00 2.02 -0.93 -0.49 112.91 115.32 2qqa h THR 73 Ca 0.43 -1.04 0.11 0.00 0.77 0.00 0.00 66.41 66.69 2qqa h THR 73 Cb 0.20 1.58 -0.09 0.00 -1.74 0.00 0.00 68.15 68.10 2qqa h THR 73 CO -0.18 0.31 0.12 0.00 0.37 0.00 0.00 175.52 176.14 2qqa h ALA 74 N 0.73 0.70 -0.48 6.16 0.00 -0.68 -0.26 119.26 125.43 2qqa h ALA 74 Ca 0.05 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2qqa h ALA 74 Cb 0.50 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2qqa h ALA 74 CO 0.02 -0.31 0.13 0.28 0.00 0.00 0.00 179.25 179.37 2qqa h VAL 75 N 0.25 1.23 -0.53 0.00 2.07 -0.63 -1.36 116.25 117.28 2qqa h VAL 75 Ca 0.32 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 2qqa h VAL 75 Cb 0.47 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2qqa h VAL 75 CO -0.41 0.29 0.12 -0.03 0.02 0.00 0.00 177.57 177.56 2qqa h MET 76 N 0.65 0.86 -0.27 1.57 4.05 -0.85 -0.04 114.93 120.89 2qqa h MET 76 Ca 0.15 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2qqa h MET 76 Cb 0.30 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2qqa h MET 76 CO -0.00 0.82 0.18 -0.09 0.23 0.00 0.00 176.91 178.04 2qqa h ARG 77 N 0.76 0.36 -0.83 0.39 2.43 -0.85 -0.89 114.38 115.75 2qqa h ARG 77 Ca 0.17 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2qqa h ARG 77 Cb 0.35 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2qqa h ARG 77 CO 0.00 0.26 0.52 0.87 -1.51 0.00 0.00 179.97 180.10 2qqa h LYS 78 N 0.36 1.13 -0.38 0.20 1.57 -1.12 -0.66 116.57 117.67 2qqa h LYS 78 Ca 0.10 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2qqa h LYS 78 Cb -0.02 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 2qqa h LYS 78 CO -0.02 0.78 0.21 1.25 -0.57 0.00 0.00 179.45 181.10 2qqa h HIS 79 N 1.14 0.51 -0.19 -1.35 2.76 -0.43 -1.66 115.15 115.94 2qqa h HIS 79 Ca 0.30 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.30 2qqa h HIS 79 Cb -0.07 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 2qqa h HIS 79 CO -0.01 0.40 -0.55 0.00 -1.30 0.00 0.00 177.93 176.47 2qqa h ARG 80 N 0.48 0.57 -0.17 5.26 3.08 -1.14 -1.22 114.38 121.25 2qqa h ARG 80 Ca 0.13 -0.36 -0.15 0.00 0.07 0.00 0.00 59.98 59.68 2qqa h ARG 80 Cb 0.05 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2qqa h ARG 80 CO -0.02 0.97 -0.52 -0.07 -1.07 0.00 0.00 179.97 179.26 2qqa h LEU 81 N 0.44 0.51 -0.33 3.04 3.38 -1.02 -2.48 115.31 118.85 2qqa h LEU 81 Ca 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2qqa h LEU 81 Cb 1.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2qqa h LEU 81 CO 0.10 0.93 0.12 0.00 0.09 0.00 0.00 178.44 179.69 2qqa h ALA 82 N 1.08 0.43 -0.60 1.53 0.00 -1.22 -0.23 119.26 120.24 2qqa h ALA 82 Ca 0.01 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2qqa h ALA 82 Cb 1.03 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 2qqa h ALA 82 CO 0.09 0.04 0.30 0.93 0.00 0.00 0.00 179.25 180.62 2qqa h GLU 83 N 0.38 0.55 -0.18 0.00 5.08 -1.09 0.23 114.58 119.54 2qqa h GLU 83 Ca 0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2qqa h GLU 83 Cb 0.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2qqa h GLU 83 CO -0.01 0.36 0.12 0.00 -1.00 0.00 0.00 179.01 178.49 2qqa h ARG 84 N 0.56 0.24 -0.11 2.33 2.47 -1.33 0.00 114.38 118.55 2qqa h ARG 84 Ca 0.28 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 59.03 2qqa h ARG 84 Cb 0.22 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.43 2qqa h ARG 84 CO -0.20 0.16 -0.19 1.25 0.56 0.00 0.00 179.97 181.54 2qqa h LEU 85 N 0.24 -0.60 -1.01 3.04 5.85 -0.72 1.01 115.31 123.13 2qqa h LEU 85 Ca 0.07 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2qqa h LEU 85 Cb -0.03 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2qqa h LEU 85 CO -0.01 -0.25 0.23 -0.07 -0.34 0.00 0.00 178.44 178.00 2qqa h LEU 86 N -0.26 0.87 0.04 2.25 3.38 -0.33 -1.81 115.31 119.45 2qqa h LEU 86 Ca 0.09 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2qqa h LEU 86 Cb 0.39 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2qqa h LEU 86 CO -0.26 0.80 -0.23 0.74 0.09 0.00 0.00 178.44 179.58 2qqa h THR 87 N 0.92 1.71 0.05 0.22 2.02 -0.78 -0.61 112.91 116.45 2qqa h THR 87 Ca 0.21 -2.40 -0.27 0.00 0.77 0.00 0.00 66.41 64.72 2qqa h THR 87 Cb 0.22 3.33 0.02 0.00 -1.74 0.00 0.00 68.15 69.98 2qqa h THR 87 CO -0.01 0.63 -1.11 0.44 0.37 0.00 0.00 175.52 175.84 2qqa h ASP 88 N -0.84 0.84 0.00 4.18 3.32 0.11 -3.26 116.42 120.76 2qqa h ASP 88 Ca -0.04 -0.71 -0.22 0.00 0.02 0.00 0.00 57.03 56.08 2qqa h ASP 88 Cb 1.17 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 2qqa h ASP 88 CO 0.04 1.52 -1.62 -0.38 -1.72 0.00 0.00 179.24 177.07 2qqa n ILE 89 N -3.81 1.22 0.03 0.35 5.41 -0.75 -4.69 119.36 117.12 2qqa n ILE 89 Ca -0.11 -0.10 -0.06 0.00 1.00 0.00 0.00 62.75 63.47 2qqa n ILE 89 Cb 0.92 -1.91 0.12 0.00 -0.71 0.00 0.00 39.64 38.06 2qqa n ILE 89 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2qqa h ILE 90 N -0.72 1.32 0.00 1.39 2.04 -1.44 -3.47 117.51 116.62 2qqa h ILE 90 Ca -0.33 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 63.88 2qqa h ILE 90 Cb 1.19 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 2qqa h ILE 90 CO -0.20 0.51 0.00 0.61 0.00 0.00 0.00 178.15 179.07 2qqa n GLY 91 N 0.04 0.42 3.77 5.37 0.00 -0.37 -4.99 105.19 109.44 2qqa n GLY 91 Ca -0.02 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2qqa n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qqa s LEU 92 N 0.00 4.30 0.22 0.99 2.96 -0.44 -4.87 118.68 121.84 2qqa s LEU 92 Ca 0.00 2.93 -0.32 0.00 -0.22 0.00 0.00 54.13 56.52 2qqa s LEU 92 Cb 0.00 -3.73 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 2qqa s LEU 92 CO 0.00 -0.86 1.60 -0.67 -1.32 0.00 0.00 176.35 175.10 2qqa n ASP 93 N 0.39 3.48 -0.05 3.68 2.03 -1.26 -4.69 116.55 120.12 2qqa n ASP 93 Ca 0.02 1.10 0.24 0.00 0.52 0.00 0.00 54.79 56.67 2qqa n ASP 93 Cb 0.40 -1.51 0.72 0.00 -0.72 0.00 0.00 41.12 40.01 2qqa n ASP 93 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2qqa h ILE 94 N 3.52 0.56 0.00 5.18 6.09 -1.97 -0.19 117.51 130.69 2qqa h ILE 94 Ca -0.45 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 2qqa h ILE 94 Cb 1.24 0.63 0.00 0.00 0.47 0.00 0.00 36.82 39.15 2qqa h ILE 94 CO 0.87 0.00 0.00 0.78 -3.07 0.00 0.00 178.15 176.73 2qqa h ASN 95 N 0.00 0.00 -0.00 2.19 2.35 -2.03 -2.97 115.58 115.12 2qqa h ASN 95 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2qqa h ASN 95 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 2qqa h ASN 95 CO -0.00 0.00 -0.76 0.29 -1.65 0.00 0.00 177.43 175.31 2qqa n LYS 96 N -2.68 1.17 -0.17 0.81 5.02 -0.09 -4.70 118.16 117.52 2qqa n LYS 96 Ca 0.02 -0.17 -0.07 0.00 -2.02 0.00 0.00 58.31 56.06 2qqa n LYS 96 Cb 0.29 -1.35 0.02 0.00 -0.02 0.00 0.00 35.03 33.97 2qqa n LYS 96 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qqa h VAL 97 N 0.41 1.15 -0.33 -0.18 2.07 -1.49 -2.15 116.25 115.73 2qqa h VAL 97 Ca 0.00 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.02 2qqa h VAL 97 Cb 0.47 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2qqa h VAL 97 CO 0.00 0.15 -0.47 -0.74 0.02 0.00 0.00 177.57 176.53 2qqa h HIS 98 N 0.66 1.10 -0.33 1.57 -0.00 -1.84 -0.53 115.15 115.78 2qqa h HIS 98 Ca 0.18 -0.36 -0.13 0.00 -0.00 0.00 0.00 60.37 60.06 2qqa h HIS 98 Cb -0.02 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 2qqa h HIS 98 CO -0.03 1.19 -0.31 -0.44 -0.00 0.00 0.00 177.93 178.34 2qqa h ASP 99 N 0.71 0.74 -0.04 3.26 3.32 -1.84 0.22 116.42 122.78 2qqa h ASP 99 Ca 0.04 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 2qqa h ASP 99 Cb 1.07 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 2qqa h ASP 99 CO 0.11 1.00 0.02 -0.08 -1.72 0.00 0.00 179.24 178.57 2qqa h GLU 100 N 0.60 0.07 0.00 3.56 4.57 -1.19 -3.06 114.58 119.13 2qqa h GLU 100 Ca 0.07 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2qqa h GLU 100 Cb 0.83 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2qqa h GLU 100 CO 0.07 0.23 -0.16 0.00 -1.18 0.00 0.00 179.01 177.97 2qqa h ALA 101 N 0.84 1.32 -0.25 2.92 0.00 -0.60 0.27 119.26 123.75 2qqa h ALA 101 Ca 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2qqa h ALA 101 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2qqa h ALA 101 CO -0.00 0.20 0.01 0.22 0.00 0.00 0.00 179.25 179.68 2qqa h ASP 102 N 0.00 0.34 0.16 0.00 -0.00 -0.49 -1.51 116.42 114.92 2qqa h ASP 102 Ca -0.00 -0.05 -0.28 0.00 -0.00 0.00 0.00 57.03 56.70 2qqa h ASP 102 Cb 0.40 -0.09 0.01 0.00 -0.00 0.00 0.00 39.33 39.65 2qqa h ASP 102 CO 0.02 0.40 -1.35 0.03 -0.00 0.00 0.00 179.24 178.34 2qqa h ARG 103 N 0.36 0.33 -0.06 0.28 3.08 -0.96 -3.39 114.38 114.03 2qqa h ARG 103 Ca 0.08 -0.56 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 2qqa h ARG 103 Cb 0.24 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2qqa h ARG 103 CO 0.00 1.27 -0.08 -1.49 -1.07 0.00 0.00 179.97 178.61 2qqa h TRP 104 N -0.18 0.09 0.00 3.04 4.06 -1.05 -2.99 115.95 118.92 2qqa h TRP 104 Ca -0.27 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.67 2qqa h TRP 104 Cb 1.86 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 29.99 2qqa h TRP 104 CO 0.14 0.17 -0.06 1.05 -3.56 0.00 0.00 178.44 176.18 2qqa h GLU 105 N 0.09 0.00 0.00 0.49 4.11 -1.47 -1.12 114.58 116.68 2qqa h GLU 105 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2qqa h GLU 105 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2qqa h GLU 105 CO 0.01 0.06 -0.45 0.72 0.07 0.00 0.00 179.01 179.42 2qqa n HIS 106 N -3.55 0.04 -0.07 2.06 8.25 -1.13 -4.23 115.22 116.59 2qqa n HIS 106 Ca -0.02 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2qqa n HIS 106 Cb 0.17 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.97 2qqa n HIS 106 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2qqa n VAL 107 N -1.55 0.00 -2.80 1.59 0.24 -0.47 -5.01 118.33 110.33 2qqa n VAL 107 Ca 0.06 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.48 2qqa n VAL 107 Cb 0.34 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 2qqa n VAL 107 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2qqa s MET 108 N -0.10 4.45 0.68 7.34 -1.94 -0.94 -5.04 119.30 123.74 2qqa s MET 108 Ca 0.00 1.23 -0.11 0.00 -1.71 0.00 0.00 55.69 55.10 2qqa s MET 108 Cb 0.00 -3.50 -0.00 0.00 2.01 0.00 0.00 34.83 33.34 2qqa s MET 108 CO 0.00 -0.15 1.07 -1.54 -0.01 0.00 0.00 175.02 174.39 2qqa s SER 109 N 1.02 5.66 0.28 3.03 1.04 -1.26 -4.97 113.70 118.50 2qqa s SER 109 Ca 0.46 1.32 0.02 0.00 0.48 0.00 0.00 55.95 58.23 2qqa s SER 109 Cb -0.19 -2.22 0.64 0.00 0.10 0.00 0.00 66.02 64.35 2qqa s SER 109 CO 0.20 -1.23 1.75 0.44 0.98 0.00 0.00 173.24 175.39 2qqa h ASP 110 N -0.57 0.56 -0.72 7.02 3.32 -1.99 -2.71 116.42 121.33 2qqa h ASP 110 Ca -0.45 0.11 0.03 0.00 0.02 0.00 0.00 57.03 56.74 2qqa h ASP 110 Cb 1.22 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 2qqa h ASP 110 CO 0.62 0.18 0.46 -0.33 -1.72 0.00 0.00 179.24 178.45 2qqa h GLU 111 N 0.61 0.88 -0.60 3.56 3.07 -2.00 -0.91 114.58 119.21 2qqa h GLU 111 Ca 0.52 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.32 2qqa h GLU 111 Cb 0.83 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 2qqa h GLU 111 CO -0.41 0.58 0.35 0.28 -1.40 0.00 0.00 179.01 178.42 2qqa h VAL 112 N 0.91 1.18 -0.47 3.13 2.07 -1.87 -1.80 116.25 119.40 2qqa h VAL 112 Ca 0.28 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2qqa h VAL 112 Cb -0.01 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2qqa h VAL 112 CO -0.10 0.19 0.28 -0.33 0.02 0.00 0.00 177.57 177.63 2qqa h GLU 113 N 0.81 0.54 -0.87 1.57 5.08 -1.25 0.11 114.58 120.56 2qqa h GLU 113 Ca 0.21 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2qqa h GLU 113 Cb -0.00 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 2qqa h GLU 113 CO -0.04 0.35 0.57 0.00 -1.00 0.00 0.00 179.01 178.90 2qqa h ARG 114 N 0.55 1.06 -0.24 2.33 3.08 -0.90 -1.65 114.38 118.62 2qqa h ARG 114 Ca 0.19 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2qqa h ARG 114 Cb 0.02 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2qqa h ARG 114 CO -0.09 0.70 0.15 0.00 -1.07 0.00 0.00 179.97 179.66 2qqa h ARG 115 N 1.09 0.32 -0.71 0.04 2.47 -0.69 -2.99 114.38 113.91 2qqa h ARG 115 Ca 0.34 -0.03 0.06 0.00 -1.26 0.00 0.00 59.98 59.10 2qqa h ARG 115 Cb 0.01 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.21 2qqa h ARG 115 CO -0.10 0.25 0.40 -0.07 0.56 0.00 0.00 179.97 181.01 2qqa h LEU 116 N 0.30 0.60 -1.14 3.04 3.38 -0.41 0.34 115.31 121.42 2qqa h LEU 116 Ca 0.09 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.23 2qqa h LEU 116 Cb 0.01 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 2qqa h LEU 116 CO -0.02 0.38 0.60 0.58 0.09 0.00 0.00 178.44 180.08 2qqa h VAL 117 N 0.73 0.85 -0.01 1.22 2.07 -1.19 -0.05 116.25 119.87 2qqa h VAL 117 Ca 0.32 -0.28 -0.22 0.00 0.82 0.00 0.00 66.70 67.34 2qqa h VAL 117 Cb 0.21 -0.04 0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2qqa h VAL 117 CO -0.19 0.15 -0.84 0.11 0.02 0.00 0.00 177.57 176.82 2qqa h LYS 118 N 0.82 0.59 0.01 1.57 1.57 -1.28 -3.39 116.57 116.47 2qqa h LYS 118 Ca 0.48 -0.62 -0.27 0.00 -1.87 0.00 0.00 60.65 58.37 2qqa h LYS 118 Cb 0.65 0.17 0.02 0.00 0.08 0.00 0.00 32.23 33.15 2qqa h LYS 118 CO -0.25 1.23 -1.06 0.28 -0.57 0.00 0.00 179.45 179.08 2qqa h VAL 119 N 0.20 1.28 -4.19 0.50 2.07 0.27 -3.46 116.25 112.92 2qqa h VAL 119 Ca -0.10 -2.26 -0.50 0.00 0.82 0.00 0.00 66.70 64.66 2qqa h VAL 119 Cb 1.51 2.40 0.09 0.00 -1.52 0.00 0.00 31.29 33.77 2qqa h VAL 119 CO 0.17 0.70 0.38 -0.76 0.02 0.00 0.00 177.57 178.07 2qqa s LEU 120 N -8.10 3.43 0.10 2.57 1.43 -0.09 -4.97 118.68 113.06 2qqa s LEU 120 Ca -0.10 1.96 -0.18 0.00 -1.03 0.00 0.00 54.13 54.78 2qqa s LEU 120 Cb 0.07 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.68 2qqa s LEU 120 CO 0.92 -1.49 1.58 0.07 0.23 0.00 0.00 176.35 177.66 2qqa h LYS 121 N 0.19 0.45 -2.85 1.70 2.10 -1.89 -3.45 116.57 112.83 2qqa h LYS 121 Ca -0.47 -0.12 -0.17 0.00 -2.00 0.00 0.00 60.65 57.89 2qqa h LYS 121 Cb 1.24 -0.06 -0.29 0.00 -0.90 0.00 0.00 32.23 32.22 2qqa h LYS 121 CO 0.55 0.56 -0.44 0.34 -2.00 0.00 0.00 179.45 178.46 2qqa s ASP 122 N -5.86 -0.20 -0.14 7.07 3.68 -1.26 -5.04 116.67 114.92 2qqa s ASP 122 Ca -0.13 0.67 0.16 0.00 2.13 0.00 0.00 52.55 55.37 2qqa s ASP 122 Cb 0.08 0.63 0.44 0.00 -1.45 0.00 0.00 42.92 42.62 2qqa s ASP 122 CO 0.74 -0.19 1.34 1.33 0.13 0.00 0.00 175.17 178.51 2qqa n VAL 123 N 4.55 1.99 -0.20 1.11 0.24 -1.26 -4.72 118.33 120.04 2qqa n VAL 123 Ca -0.20 -1.79 -0.00 0.00 -2.04 0.00 0.00 64.34 60.31 2qqa n VAL 123 Cb 0.53 -0.11 0.10 0.00 -1.47 0.00 0.00 33.84 32.88 2qqa n VAL 123 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2qqa h SER 124 N 1.46 0.26 -5.11 -1.34 0.02 -1.96 -3.39 113.55 103.48 2qqa h SER 124 Ca 0.00 0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 2qqa h SER 124 Cb 1.23 0.04 -0.17 0.00 0.14 0.00 0.00 62.40 63.65 2qqa h SER 124 CO 0.14 0.16 -0.47 -0.13 -1.14 0.00 0.00 176.83 175.39 2qqa s ARG 125 N -6.10 0.67 0.94 3.45 0.52 -1.26 -1.81 118.95 115.36 2qqa s ARG 125 Ca -0.13 -0.79 -0.12 0.00 -0.52 0.00 0.00 55.73 54.16 2qqa s ARG 125 Cb 0.17 0.27 0.15 0.00 0.52 0.00 0.00 34.95 36.06 2qqa s ARG 125 CO 0.74 -0.18 1.13 -1.54 0.02 0.00 0.00 175.30 175.47 2qqa s SER 126 N -2.32 3.22 0.00 0.23 1.04 0.64 -4.83 113.70 111.68 2qqa s SER 126 Ca -0.02 1.01 0.12 0.00 0.48 0.00 0.00 55.95 57.54 2qqa s SER 126 Cb 0.01 -1.61 0.61 0.00 0.10 0.00 0.00 66.02 65.13 2qqa s SER 126 CO -0.06 -2.74 1.25 -2.65 0.98 0.00 0.00 173.24 170.02 2qqa n PRO 127 N -3.89 0.20 -0.33 4.02 -0.02 -1.26 -2.00 135.00 131.72 2qqa n PRO 127 Ca 0.06 0.14 0.08 0.00 -2.02 0.00 0.00 63.50 61.76 2qqa n PRO 127 Cb 0.59 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.78 2qqa n PRO 127 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2qqa n PHE 128 N -1.23 0.72 -0.27 6.00 3.01 -1.26 -4.95 117.46 119.47 2qqa n PHE 128 Ca 0.06 -0.79 0.00 0.00 1.01 0.00 0.00 57.45 57.74 2qqa n PHE 128 Cb 0.08 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 2qqa n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qqa n GLY 129 N -0.35 0.66 3.69 1.37 0.00 -0.85 -5.06 105.19 104.66 2qqa n GLY 129 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2qqa n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qqa s ASN 130 N -2.91 5.21 0.63 1.61 0.01 -1.26 -4.85 114.94 113.39 2qqa s ASN 130 Ca 0.00 0.05 -0.18 0.00 -0.71 0.00 0.00 52.86 52.02 2qqa s ASN 130 Cb 0.00 -1.41 -0.02 0.00 0.41 0.00 0.00 41.25 40.24 2qqa s ASN 130 CO 0.00 0.30 1.24 -2.16 -1.51 0.00 0.00 177.10 174.97 2qqa s PRO 131 N -1.41 2.72 -0.35 -0.60 0.04 -1.26 -0.26 135.00 133.88 2qqa s PRO 131 Ca 0.18 1.91 -0.24 0.00 0.04 0.00 0.00 61.00 62.89 2qqa s PRO 131 Cb -0.12 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2qqa s PRO 131 CO 0.09 -1.42 0.84 0.42 0.04 0.00 0.00 177.00 176.97 2qqa s ILE 132 N -1.56 4.69 0.74 0.56 1.01 -0.75 -4.76 121.20 121.12 2qqa s ILE 132 Ca 0.79 1.09 -0.08 0.00 0.00 0.00 0.00 60.65 62.45 2qqa s ILE 132 Cb -0.33 -4.25 0.07 0.00 0.01 0.00 0.00 42.46 37.97 2qqa s ILE 132 CO 0.37 -0.43 1.06 -2.16 0.00 0.00 0.00 174.94 173.78 2qqa s PRO 133 N 3.21 2.05 0.00 2.79 0.04 -1.26 -4.59 135.00 137.24 2qqa s PRO 133 Ca 0.34 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.15 2qqa s PRO 133 Cb -0.13 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2qqa s PRO 133 CO 0.16 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.24 2qqa n GLY 134 N -3.03 0.64 0.20 0.56 0.00 -1.26 -4.48 105.19 97.82 2qqa n GLY 134 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2qqa n GLY 134 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qqa h LEU 135 N 0.00 0.00 -0.35 0.99 3.38 -1.89 -2.01 115.31 115.44 2qqa h LEU 135 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2qqa h LEU 135 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2qqa h LEU 135 CO 0.00 0.31 0.11 0.44 0.09 0.00 0.00 178.44 179.39 2qqa h ASP 136 N 0.00 0.50 1.01 -0.43 5.19 -1.89 -1.88 116.42 118.92 2qqa h ASP 136 Ca -0.00 -0.20 -0.08 0.00 -0.62 0.00 0.00 57.03 56.13 2qqa h ASP 136 Cb 0.82 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 2qqa h ASP 136 CO 0.04 0.57 -0.39 -0.33 -3.12 0.00 0.00 179.24 176.01 2qqa h GLU 137 N 0.41 0.00 -0.35 3.56 4.39 -1.86 -2.12 114.58 118.61 2qqa h GLU 137 Ca 0.11 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.65 2qqa h GLU 137 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2qqa h GLU 137 CO -0.00 0.39 -0.41 1.25 -1.16 0.00 0.00 179.01 179.08 2qqa h LEU 138 N 0.00 0.93 0.00 1.33 5.85 -1.37 -3.47 115.31 118.58 2qqa h LEU 138 Ca -0.00 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2qqa h LEU 138 Cb 1.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2qqa h LEU 138 CO 0.05 1.21 0.00 0.61 -0.34 0.00 0.00 178.44 179.97 2qqa n GLY 139 N 0.13 1.02 2.71 3.75 0.00 -0.71 -5.05 105.19 107.03 2qqa n GLY 139 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2qqa n GLY 139 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qqa n VAL 140 N -1.94 0.00 -3.16 1.61 3.14 -1.18 -5.03 118.33 111.78 2qqa n VAL 140 Ca 0.00 -1.20 -0.22 0.00 -2.96 0.00 0.00 64.34 59.96 2qqa n VAL 140 Cb 0.00 1.35 -0.04 0.00 -1.06 0.00 0.00 33.84 34.09 2qqa n VAL 140 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qqa n ALA 147 N 0.43 2.74 -1.75 1.55 0.00 -1.26 -4.67 120.51 117.55 2qqa n ALA 147 Ca 0.02 -3.75 -0.36 0.00 0.00 0.00 0.00 53.44 49.35 2qqa n ALA 147 Cb 0.72 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 19.34 2qqa n ALA 147 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qqa s PRO 148 N -2.39 2.97 4.54 0.00 0.04 -1.26 -4.82 135.00 134.08 2qqa s PRO 148 Ca 0.41 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2qqa s PRO 148 Cb 0.29 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2qqa s PRO 148 CO -0.09 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.15 2qqa n GLY 149 N 0.52 1.50 2.94 0.56 0.00 -1.26 -4.64 105.19 104.81 2qqa n GLY 149 Ca 0.14 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 2qqa n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qqa s THR 150 N 0.00 0.50 0.17 2.61 2.01 -0.15 -4.86 115.64 115.92 2qqa s THR 150 Ca 0.00 -0.21 -0.34 0.00 0.31 0.00 0.00 61.69 61.46 2qqa s THR 150 Cb 0.00 -0.46 -0.14 0.00 0.01 0.00 0.00 72.50 71.91 2qqa s THR 150 CO 0.00 0.17 1.50 -2.11 -0.69 0.00 0.00 174.62 173.49 2qqa n ARG 151 N 3.33 1.97 -0.32 4.92 0.00 -1.26 -0.90 116.66 124.41 2qqa n ARG 151 Ca -0.18 0.71 0.27 0.00 -0.00 0.00 0.00 57.85 58.65 2qqa n ARG 151 Cb 0.55 -2.43 0.51 0.00 -0.00 0.00 0.00 32.46 31.09 2qqa n ARG 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qqa n VAL 152 N 2.90 -0.41 0.17 8.89 0.31 0.68 0.34 118.33 131.21 2qqa n VAL 152 Ca 0.16 2.02 0.05 0.00 -0.01 0.00 0.00 64.34 66.56 2qqa n VAL 152 Cb 0.28 -3.20 0.50 0.00 -0.91 0.00 0.00 33.84 30.51 2qqa n VAL 152 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 2qqa h ILE 153 N 0.00 1.10 0.10 2.52 6.09 -1.54 -2.07 117.51 123.71 2qqa h ILE 153 Ca 0.77 -0.41 -0.35 0.00 -1.37 0.00 0.00 64.86 63.51 2qqa h ILE 153 Cb 1.97 1.06 -0.02 0.00 0.47 0.00 0.00 36.82 40.30 2qqa h ILE 153 CO -0.79 0.13 -1.94 0.47 -3.07 0.00 0.00 178.15 172.95 2qqa n ASP 154 N -4.40 1.88 0.15 2.19 8.00 0.15 -4.35 116.55 120.18 2qqa n ASP 154 Ca -0.01 0.25 0.02 0.00 0.71 0.00 0.00 54.79 55.76 2qqa n ASP 154 Cb 0.17 -0.71 0.17 0.00 -0.02 0.00 0.00 41.12 40.74 2qqa n ASP 154 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qqa h ALA 155 N 0.26 0.82 -2.67 2.24 0.00 -0.96 -3.46 119.26 115.48 2qqa h ALA 155 Ca -0.40 -0.47 -0.49 0.00 0.00 0.00 0.00 54.91 53.55 2qqa h ALA 155 Cb 2.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2qqa h ALA 155 CO 0.09 0.65 0.42 0.00 0.00 0.00 0.00 179.25 180.41 2qqa s ALA 156 N -3.32 3.29 0.45 0.00 0.00 -0.79 -5.07 121.76 116.32 2qqa s ALA 156 Ca 0.01 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.74 2qqa s ALA 156 Cb 0.10 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 2qqa s ALA 156 CO 0.73 -0.05 0.09 -2.37 0.00 0.00 0.00 175.76 174.16 2qqa n THR 157 N 0.86 0.00 0.40 0.00 5.66 -1.26 -4.71 114.28 115.23 2qqa n THR 157 Ca 0.01 -2.39 0.13 0.00 -3.05 0.00 0.00 64.05 58.75 2qqa n THR 157 Cb 0.47 0.71 0.46 0.00 -1.55 0.00 0.00 70.33 70.43 2qqa n THR 157 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2qqa h SER 158 N 1.47 0.00 -3.65 1.09 4.64 -1.95 0.31 113.55 115.47 2qqa h SER 158 Ca -0.36 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.34 2qqa h SER 158 Cb 1.24 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.19 2qqa h SER 158 CO 0.58 0.00 -0.34 -0.04 -0.87 0.00 0.00 176.83 176.16 2qqa s MET 159 N -3.32 4.06 0.44 4.77 -1.94 -1.26 -4.75 119.30 117.31 2qqa s MET 159 Ca 0.06 -0.05 -0.25 0.00 -1.71 0.00 0.00 55.69 53.73 2qqa s MET 159 Cb 0.09 -3.59 -0.08 0.00 2.01 0.00 0.00 34.83 33.26 2qqa s MET 159 CO 0.53 -0.11 1.36 -2.14 -0.01 0.00 0.00 175.02 174.65 2qqa s PRO 160 N 1.54 3.75 0.03 2.03 0.02 -1.26 -4.83 135.00 136.28 2qqa s PRO 160 Ca 0.13 2.27 -0.03 0.00 0.02 0.00 0.00 61.00 63.39 2qqa s PRO 160 Cb -0.15 -2.65 -0.02 0.00 0.02 0.00 0.00 34.50 31.71 2qqa s PRO 160 CO 0.08 -0.71 0.03 -0.98 -0.33 0.00 0.00 177.00 175.09 2qqa s ARG 161 N -2.42 0.48 -0.10 5.54 3.03 -0.72 -4.96 118.95 119.80 2qqa s ARG 161 Ca 0.60 -0.76 -0.29 0.00 2.03 0.00 0.00 55.73 57.32 2qqa s ARG 161 Cb -0.40 0.18 -0.01 0.00 -1.03 0.00 0.00 34.95 33.68 2qqa s ARG 161 CO 0.52 -0.10 0.99 0.21 -1.13 0.00 0.00 175.30 175.79 2qqa s LYS 162 N -2.33 4.43 0.37 3.89 2.20 -1.26 -0.62 119.74 126.42 2qqa s LYS 162 Ca -0.08 1.37 0.04 0.00 -0.36 0.00 0.00 55.97 56.95 2qqa s LYS 162 Cb -0.03 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 2qqa s LYS 162 CO -0.04 -0.29 0.13 0.14 -0.36 0.00 0.00 175.35 174.94 2qqa s VAL 163 N 1.91 0.59 -0.11 4.02 -7.23 -0.20 -4.34 120.40 115.04 2qqa s VAL 163 Ca 0.48 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2qqa s VAL 163 Cb -0.18 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2qqa s VAL 163 CO 0.19 0.00 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.25 2qqa s ARG 164 N -3.75 3.19 -0.02 4.82 3.52 0.90 -1.73 118.95 125.87 2qqa s ARG 164 Ca 0.29 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.92 2qqa s ARG 164 Cb 0.04 -2.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 2qqa s ARG 164 CO 0.16 0.32 1.25 0.42 -0.81 0.00 0.00 175.30 176.64 2qqa s ILE 165 N 0.06 4.09 -0.43 4.11 -1.09 -0.29 -0.54 121.20 127.12 2qqa s ILE 165 Ca -0.05 1.45 0.07 0.00 -2.23 0.00 0.00 60.65 59.89 2qqa s ILE 165 Cb -0.14 -3.93 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 2qqa s ILE 165 CO 0.04 0.02 0.37 1.33 -1.23 0.00 0.00 174.94 175.47 2qqa n VAL 166 N 4.52 0.00 -3.62 2.92 0.24 -0.18 -0.41 118.33 121.81 2qqa n VAL 166 Ca 0.11 -0.35 -0.08 0.00 -2.04 0.00 0.00 64.34 61.99 2qqa n VAL 166 Cb 0.46 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 2qqa n VAL 166 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2qqa s GLN 167 N -1.58 0.42 -0.02 7.34 0.74 -1.03 -4.92 119.66 120.62 2qqa s GLN 167 Ca 0.04 0.28 0.02 0.00 0.05 0.00 0.00 55.36 55.75 2qqa s GLN 167 Cb 0.06 0.20 -0.03 0.00 1.10 0.00 0.00 33.01 34.34 2qqa s GLN 167 CO 0.28 -0.09 0.01 -0.89 -0.55 0.00 0.00 175.29 174.04 2qqa n ILE 168 N 1.36 0.16 -3.65 -2.34 5.41 -1.26 -0.09 119.36 118.95 2qqa n ILE 168 Ca -0.10 -0.10 -0.23 0.00 1.00 0.00 0.00 62.75 63.32 2qqa n ILE 168 Cb 0.57 -0.93 0.06 0.00 -0.71 0.00 0.00 39.64 38.63 2qqa n ILE 168 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2qqa n ASN 169 N -2.10 -3.40 0.27 4.38 3.02 -1.26 -4.18 115.26 111.99 2qqa n ASN 169 Ca -0.04 -0.69 0.18 0.00 -0.03 0.00 0.00 54.58 54.00 2qqa n ASN 169 Cb 0.58 -4.53 0.94 0.00 -0.61 0.00 0.00 39.78 36.16 2qqa n ASN 169 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2qqa h GLU 170 N -2.12 0.00 0.00 3.52 9.09 -1.97 -1.91 114.58 121.19 2qqa h GLU 170 Ca -0.59 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 58.81 2qqa h GLU 170 Cb 1.36 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.46 2qqa h GLU 170 CO 0.57 0.00 -0.04 0.97 0.05 0.00 0.00 179.01 180.56 2qqa h ILE 171 N 0.00 0.66 -0.02 -1.06 2.10 -2.04 -2.66 117.51 114.50 2qqa h ILE 171 Ca 0.04 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.82 2qqa h ILE 171 Cb 0.31 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 2qqa h ILE 171 CO -0.00 0.04 -0.25 0.49 -1.08 0.00 0.00 178.15 177.35 2qqa n PHE 172 N -3.95 0.00 -3.15 2.19 0.99 -0.72 -4.96 117.46 107.86 2qqa n PHE 172 Ca -0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.03 2qqa n PHE 172 Cb 0.13 -0.04 -0.06 0.00 -1.00 0.00 0.00 39.48 38.51 2qqa n PHE 172 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2qqa s GLN 173 N -2.33 4.35 -0.20 -1.08 -1.52 -1.01 -4.97 119.66 112.90 2qqa s GLN 173 Ca 0.25 0.92 -0.03 0.00 -1.95 0.00 0.00 55.36 54.55 2qqa s GLN 173 Cb 0.19 -3.23 -0.20 0.00 -0.22 0.00 0.00 33.01 29.55 2qqa s GLN 173 CO 0.47 0.60 0.02 0.28 -0.25 0.00 0.00 175.29 176.41 2qqa n VAL 174 N 1.61 1.61 -2.41 1.09 0.31 -1.26 -4.87 118.33 114.41 2qqa n VAL 174 Ca -0.08 -0.58 -0.40 0.00 -0.01 0.00 0.00 64.34 63.27 2qqa n VAL 174 Cb 0.50 -1.59 -0.03 0.00 -0.91 0.00 0.00 33.84 31.81 2qqa n VAL 174 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2qqa s GLU 175 N -2.53 3.06 -0.01 5.55 0.41 -1.26 -4.81 118.70 119.11 2qqa s GLU 175 Ca -0.30 -0.08 0.13 0.00 -0.41 0.00 0.00 54.97 54.31 2qqa s GLU 175 Cb 0.08 -4.32 -0.17 0.00 -1.78 0.00 0.00 34.13 27.94 2qqa s GLU 175 CO 0.66 -2.33 0.44 2.41 -0.49 0.00 0.00 175.26 175.95 2qqa n THR 176 N 6.65 0.00 -0.02 3.63 -1.04 -1.26 -3.89 114.28 118.35 2qqa n THR 176 Ca 0.10 -0.24 0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2qqa n THR 176 Cb 0.50 0.64 0.46 0.00 -1.82 0.00 0.00 70.33 70.10 2qqa n THR 176 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 2qqa h ASP 177 N 0.00 0.42 1.37 8.00 2.03 -2.02 -2.91 116.42 123.31 2qqa h ASP 177 Ca 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2qqa h ASP 177 Cb 0.44 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 2qqa h ASP 177 CO 0.00 0.29 -0.02 0.00 -1.03 0.00 0.00 179.24 178.48 2qqa n GLN 178 N -4.48 0.21 -0.13 4.15 6.02 -1.25 -3.42 117.38 118.48 2qqa n GLN 178 Ca 0.05 0.17 -0.04 0.00 -0.01 0.00 0.00 57.00 57.18 2qqa n GLN 178 Cb 0.17 -1.75 0.03 0.00 1.02 0.00 0.00 30.24 29.72 2qqa n GLN 178 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2qqa h PHE 179 N 0.00 -0.13 -0.13 1.08 0.04 -1.75 -1.62 116.94 114.42 2qqa h PHE 179 Ca 0.00 0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.66 2qqa h PHE 179 Cb 0.69 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 2qqa h PHE 179 CO 0.00 -0.14 -0.54 1.15 -0.60 0.00 0.00 178.31 178.17 2qqa h THR 180 N 0.05 1.34 -0.36 -1.55 2.02 -1.75 -1.99 112.91 110.68 2qqa h THR 180 Ca 0.21 -1.82 0.05 0.00 0.77 0.00 0.00 66.41 65.63 2qqa h THR 180 Cb 0.32 1.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 2qqa h THR 180 CO -0.41 0.55 0.06 1.56 0.37 0.00 0.00 175.52 177.66 2qqa h GLN 181 N 0.31 0.18 0.03 6.66 4.20 -1.55 0.16 115.11 125.10 2qqa h GLN 181 Ca 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qqa h GLN 181 Cb 1.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2qqa h GLN 181 CO 0.09 0.12 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.26 2qqa h LEU 182 N 0.18 -0.12 -0.69 1.46 4.07 -1.05 -2.21 115.31 116.95 2qqa h LEU 182 Ca 0.17 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.21 2qqa h LEU 182 Cb 0.20 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 41.92 2qqa h LEU 182 CO -0.23 -0.07 0.38 -0.07 -1.08 0.00 0.00 178.44 177.37 2qqa h LEU 183 N -0.10 0.54 -1.22 1.67 3.38 -1.11 -0.28 115.31 118.19 2qqa h LEU 183 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2qqa h LEU 183 Cb 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qqa h LEU 183 CO -0.02 0.34 -0.03 0.44 0.09 0.00 0.00 178.44 179.25 2qqa h ASP 184 N 0.68 0.00 -0.63 -0.43 3.32 -0.51 -1.87 116.42 116.97 2qqa h ASP 184 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 2qqa h ASP 184 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2qqa h ASP 184 CO -0.21 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.34 2qqa n ALA 185 N -2.11 2.69 -3.89 3.45 0.00 -0.84 -4.97 120.51 114.83 2qqa n ALA 185 Ca 0.01 -1.27 -0.25 0.00 0.00 0.00 0.00 53.44 51.93 2qqa n ALA 185 Cb 0.35 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 2qqa n ALA 185 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qqa n ASP 186 N 1.23 0.07 -4.53 0.00 5.75 -0.71 -4.76 116.55 113.61 2qqa n ASP 186 Ca 0.23 -0.97 -0.40 0.00 -0.01 0.00 0.00 54.79 53.63 2qqa n ASP 186 Cb 0.67 -1.19 -0.10 0.00 -1.03 0.00 0.00 41.12 39.47 2qqa n ASP 186 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2qqa s ILE 187 N -4.02 5.25 0.20 2.12 1.01 -0.18 -4.92 121.20 120.66 2qqa s ILE 187 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 2qqa s ILE 187 Cb -0.04 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2qqa s ILE 187 CO 0.75 -0.04 0.12 -0.13 0.00 0.00 0.00 174.94 175.64 2qqa s ARG 188 N 1.81 1.19 0.28 2.79 0.52 -1.26 -4.29 118.95 119.99 2qqa s ARG 188 Ca 0.08 -1.62 -0.30 0.00 -0.52 0.00 0.00 55.73 53.37 2qqa s ARG 188 Cb -0.17 0.25 -0.11 0.00 0.52 0.00 0.00 34.95 35.44 2qqa s ARG 188 CO 0.11 -0.38 1.55 0.14 0.02 0.00 0.00 175.30 176.74 2qqa s VAL 189 N -4.14 2.22 0.00 3.52 -7.23 -1.26 -1.72 120.40 111.79 2qqa s VAL 189 Ca 0.38 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 2qqa s VAL 189 Cb 0.07 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2qqa s VAL 189 CO 0.11 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 2qqa n GLY 190 N 2.18 0.71 3.74 2.32 0.00 0.46 -5.01 105.19 109.58 2qqa n GLY 190 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2qqa n GLY 190 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qqa s SER 191 N -2.58 7.15 -0.21 1.61 0.01 -0.70 -4.78 113.70 114.20 2qqa s SER 191 Ca 0.00 2.21 -0.16 0.00 1.31 0.00 0.00 55.95 59.31 2qqa s SER 191 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2qqa s SER 191 CO 0.00 -0.30 0.41 -1.61 0.41 0.00 0.00 173.24 172.15 2qqa s GLU 192 N -0.50 4.15 0.04 12.44 2.02 -1.26 -1.14 118.70 134.46 2qqa s GLU 192 Ca 0.50 0.20 -0.02 0.00 0.02 0.00 0.00 54.97 55.68 2qqa s GLU 192 Cb -0.32 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.33 2qqa s GLU 192 CO 0.37 -0.09 0.00 0.14 0.02 0.00 0.00 175.26 175.71 2qqa s VAL 193 N 1.46 0.17 0.09 2.63 -7.23 -0.70 -4.86 120.40 111.95 2qqa s VAL 193 Ca 0.19 -1.37 -0.15 0.00 -1.81 0.00 0.00 61.98 58.83 2qqa s VAL 193 Cb -0.15 -1.01 -0.06 0.00 0.56 0.00 0.00 36.38 35.71 2qqa s VAL 193 CO 0.08 -0.76 0.51 -0.70 -0.31 0.00 0.00 175.10 173.92 2qqa s GLU 194 N -2.92 4.00 0.04 4.82 2.12 0.39 -1.03 118.70 126.12 2qqa s GLU 194 Ca -0.02 0.50 0.07 0.00 0.36 0.00 0.00 54.97 55.88 2qqa s GLU 194 Cb 0.01 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 2qqa s GLU 194 CO -0.06 0.57 -0.20 0.96 -0.54 0.00 0.00 175.26 175.99 2qqa s ILE 195 N -1.28 1.58 -0.10 -3.70 -4.36 0.21 -0.89 121.20 112.66 2qqa s ILE 195 Ca 0.32 -1.14 -0.17 0.00 -0.26 0.00 0.00 60.65 59.40 2qqa s ILE 195 Cb -0.16 -1.38 0.04 0.00 1.25 0.00 0.00 42.46 42.21 2qqa s ILE 195 CO 0.18 0.20 0.42 0.54 0.24 0.00 0.00 174.94 176.51 2qqa s VAL 196 N -0.78 0.02 -0.27 8.37 0.11 -1.03 -1.76 120.40 125.06 2qqa s VAL 196 Ca 0.07 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 58.84 2qqa s VAL 196 Cb -0.09 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 2qqa s VAL 196 CO 0.02 -0.09 0.21 -0.62 -3.33 0.00 0.00 175.10 171.28 2qqa s ASP 197 N -0.45 6.07 0.00 3.54 2.15 0.11 -1.63 116.67 126.46 2qqa s ASP 197 Ca -0.06 0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.98 2qqa s ASP 197 Cb -0.03 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 2qqa s ASP 197 CO 0.03 -0.04 0.17 -2.11 -0.17 0.00 0.00 175.17 173.05 2qqa n ARG 198 N 4.91 -0.22 0.00 4.34 1.85 -0.22 -4.05 116.66 123.27 2qqa n ARG 198 Ca -0.14 -0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.54 2qqa n ARG 198 Cb 0.52 -0.64 0.00 0.00 -1.05 0.00 0.00 32.46 31.29 2qqa n ARG 198 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2qqa n ASP 199 N -0.01 1.71 -3.54 2.89 10.43 -1.26 -4.95 116.55 121.82 2qqa n ASP 199 Ca 0.00 0.00 -0.44 0.00 2.57 0.00 0.00 54.79 56.92 2qqa n ASP 199 Cb 0.19 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.05 2qqa n ASP 199 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qqa n GLY 200 N 0.00 1.20 3.09 0.44 0.00 -1.26 -5.01 105.19 103.64 2qqa n GLY 200 Ca 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 2qqa n GLY 200 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2qqa s HIS 201 N 6.36 -0.32 0.03 1.61 0.00 -1.26 -4.98 115.29 116.73 2qqa s HIS 201 Ca 0.65 0.77 -0.16 0.00 -3.00 0.00 0.00 55.06 53.31 2qqa s HIS 201 Cb 0.15 0.07 -0.06 0.00 -4.00 0.00 0.00 32.58 28.74 2qqa s HIS 201 CO 0.27 -0.21 0.48 0.42 -1.00 0.00 0.00 174.74 174.70 2qqa s ILE 202 N 0.92 4.91 -0.08 -5.38 1.01 -1.26 -1.06 121.20 120.26 2qqa s ILE 202 Ca -0.06 0.98 0.04 0.00 0.00 0.00 0.00 60.65 61.61 2qqa s ILE 202 Cb -0.08 -3.79 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 2qqa s ILE 202 CO -0.06 0.56 -0.22 -0.89 0.00 0.00 0.00 174.94 174.33 2qqa s THR 203 N -1.11 1.88 -0.13 2.92 2.01 -0.65 0.06 115.64 120.63 2qqa s THR 203 Ca 0.26 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2qqa s THR 203 Cb -0.18 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2qqa s THR 203 CO 0.16 0.52 0.02 -0.76 -0.69 0.00 0.00 174.62 173.88 2qqa s LEU 204 N 0.23 3.66 -0.03 4.42 1.43 -0.04 -2.45 118.68 125.91 2qqa s LEU 204 Ca -0.13 0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 2qqa s LEU 204 Cb -0.16 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2qqa s LEU 204 CO 0.06 0.29 -0.25 -0.44 0.23 0.00 0.00 176.35 176.24 2qqa s SER 205 N -0.34 2.98 -0.06 2.29 0.01 -0.07 0.11 113.70 118.62 2qqa s SER 205 Ca 0.08 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 2qqa s SER 205 Cb -0.12 -0.46 0.04 0.00 0.21 0.00 0.00 66.02 65.68 2qqa s SER 205 CO 0.02 0.29 0.11 -2.28 0.41 0.00 0.00 173.24 171.79 2qqa s HIS 206 N -0.48 -0.07 -1.64 2.43 5.04 -0.51 -0.46 115.29 119.60 2qqa s HIS 206 Ca 0.06 0.41 0.00 0.00 -1.54 0.00 0.00 55.06 53.99 2qqa s HIS 206 Cb -0.11 -0.30 0.00 0.00 0.04 0.00 0.00 32.58 32.21 2qqa s HIS 206 CO 0.00 -0.20 0.00 0.09 -2.34 0.00 0.00 174.74 172.29 2qqa n ASN 207 N 4.98 -5.50 -0.07 9.88 3.02 -1.26 -1.63 115.26 124.68 2qqa n ASN 207 Ca -0.11 0.04 -0.01 0.00 -0.03 0.00 0.00 54.58 54.47 2qqa n ASN 207 Cb 0.50 -4.60 -0.00 0.00 -0.61 0.00 0.00 39.78 35.07 2qqa n ASN 207 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qqa n GLY 208 N -0.96 0.49 3.60 7.41 0.00 -1.21 -4.68 105.19 109.85 2qqa n GLY 208 Ca -0.23 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 2qqa n GLY 208 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qqa s LYS 209 N -1.07 3.94 -0.07 1.61 0.00 -0.65 -4.98 119.74 118.53 2qqa s LYS 209 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 55.97 55.51 2qqa s LYS 209 Cb 0.00 -3.34 -0.05 0.00 0.00 0.00 0.00 37.83 34.45 2qqa s LYS 209 CO 0.00 0.12 0.26 -0.51 0.00 0.00 0.00 175.35 175.22 2qqa s ASP 210 N 0.83 6.57 -0.22 0.03 -0.00 -1.26 -1.42 116.67 121.20 2qqa s ASP 210 Ca 0.05 0.68 0.01 0.00 -0.00 0.00 0.00 52.55 53.29 2qqa s ASP 210 Cb -0.13 -2.15 0.05 0.00 -0.00 0.00 0.00 42.92 40.68 2qqa s ASP 210 CO 0.02 0.35 -0.09 -0.69 -0.00 0.00 0.00 175.17 174.76 2qqa s VAL 211 N -0.93 1.73 -0.30 -1.27 1.01 0.29 -4.99 120.40 115.94 2qqa s VAL 211 Ca 0.19 -1.21 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 2qqa s VAL 211 Cb -0.14 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.38 2qqa s VAL 211 CO 0.08 0.05 0.96 -0.70 0.00 0.00 0.00 175.10 175.48 2qqa s GLU 212 N 1.33 4.06 0.14 2.72 2.12 -1.26 -0.86 118.70 126.95 2qqa s GLU 212 Ca -0.04 0.93 -0.28 0.00 0.36 0.00 0.00 54.97 55.94 2qqa s GLU 212 Cb -0.18 -3.72 -0.07 0.00 0.26 0.00 0.00 34.13 30.42 2qqa s GLU 212 CO -0.07 -0.77 0.86 -0.51 -0.54 0.00 0.00 175.26 174.23 2qqa s LEU 213 N 3.30 4.55 0.67 2.70 1.43 0.11 -5.00 118.68 126.44 2qqa s LEU 213 Ca 0.40 1.71 -0.14 0.00 -1.03 0.00 0.00 54.13 55.07 2qqa s LEU 213 Cb -0.13 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2qqa s LEU 213 CO 0.13 0.08 1.09 -0.76 0.23 0.00 0.00 176.35 177.12 2qqa s LEU 214 N -0.61 3.33 0.34 1.79 1.43 -1.26 -4.30 118.68 119.40 2qqa s LEU 214 Ca 0.40 1.90 0.07 0.00 -1.03 0.00 0.00 54.13 55.48 2qqa s LEU 214 Cb -0.23 -4.54 0.62 0.00 0.03 0.00 0.00 46.19 42.07 2qqa s LEU 214 CO 0.28 -1.58 1.82 0.44 0.23 0.00 0.00 176.35 177.53 2qqa h ASP 215 N -0.14 0.27 -0.54 2.29 3.32 -1.97 -1.03 116.42 118.63 2qqa h ASP 215 Ca -0.46 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 56.56 2qqa h ASP 215 Cb 1.23 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 2qqa h ASP 215 CO 0.55 0.52 0.27 0.44 -1.72 0.00 0.00 179.24 179.29 2qqa h ASP 216 N 0.25 0.37 -0.32 6.45 5.19 -1.99 -0.87 116.42 125.49 2qqa h ASP 216 Ca 0.04 0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.35 2qqa h ASP 216 Cb 0.56 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 2qqa h ASP 216 CO 0.04 0.25 -0.31 0.25 -3.12 0.00 0.00 179.24 176.35 2qqa h LEU 217 N 0.51 0.89 -1.80 1.55 5.85 -1.62 -2.96 115.31 117.74 2qqa h LEU 217 Ca 0.24 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2qqa h LEU 217 Cb 0.17 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2qqa h LEU 217 CO -0.18 1.13 -0.15 0.00 -0.34 0.00 0.00 178.44 178.90 2qqa h ALA 218 N 0.92 1.34 0.00 1.25 0.00 -0.86 -2.11 119.26 119.80 2qqa h ALA 218 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qqa h ALA 218 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qqa h ALA 218 CO 0.08 0.19 0.00 0.72 0.00 0.00 0.00 179.25 180.24 2qqa n HIS 219 N -3.76 0.75 -0.06 0.00 8.25 -0.37 -1.49 115.22 118.54 2qqa n HIS 219 Ca -0.02 0.27 -0.08 0.00 -0.26 0.00 0.00 57.72 57.63 2qqa n HIS 219 Cb 0.26 -0.94 -0.08 0.00 1.12 0.00 0.00 29.99 30.35 2qqa n HIS 219 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2qqa n THR 220 N -2.16 0.79 -2.67 1.59 -1.04 -0.84 -4.83 114.28 105.12 2qqa n THR 220 Ca 0.03 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 2qqa n THR 220 Cb 0.28 -0.87 -0.03 0.00 -1.82 0.00 0.00 70.33 67.89 2qqa n THR 220 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2qqa s ILE 221 N -2.28 4.73 -0.01 12.58 1.01 -0.91 -4.44 121.20 131.89 2qqa s ILE 221 Ca -0.13 2.00 0.04 0.00 0.00 0.00 0.00 60.65 62.55 2qqa s ILE 221 Cb 0.04 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 2qqa s ILE 221 CO 0.38 0.01 -0.09 -0.13 0.00 0.00 0.00 174.94 175.11 2qqa s ARG 222 N 1.97 2.50 0.18 2.79 0.52 0.88 -0.23 118.95 127.55 2qqa s ARG 222 Ca 0.49 -0.74 0.07 0.00 -0.52 0.00 0.00 55.73 55.04 2qqa s ARG 222 Cb -0.19 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 2qqa s ARG 222 CO 0.19 0.60 -0.15 0.96 0.02 0.00 0.00 175.30 176.92 2qqa s ILE 223 N -0.93 1.64 0.20 1.52 -5.25 -0.07 -1.01 121.20 117.31 2qqa s ILE 223 Ca 0.15 -2.04 0.11 0.00 -0.99 0.00 0.00 60.65 57.89 2qqa s ILE 223 Cb -0.11 -1.89 -0.04 0.00 2.95 0.00 0.00 42.46 43.37 2qqa s ILE 223 CO 0.05 -0.51 -0.24 -1.61 -1.79 0.00 0.00 174.94 170.85 2qqa s GLU 224 N -3.27 1.53 0.60 0.37 2.02 0.30 -0.98 118.70 119.28 2qqa s GLU 224 Ca 0.18 -1.55 -0.19 0.00 0.02 0.00 0.00 54.97 53.43 2qqa s GLU 224 Cb -0.02 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.34 2qqa s GLU 224 CO 0.06 0.39 1.28 -1.21 0.02 0.00 0.00 175.26 175.80 2qqa s GLU 225 N -2.76 2.83 0.00 1.61 0.41 -1.26 -0.07 118.70 119.46 2qqa s GLU 225 Ca 0.22 2.04 0.00 0.00 -0.41 0.00 0.00 54.97 56.81 2qqa s GLU 225 Cb -0.08 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.30 2qqa s GLU 225 CO 0.10 -1.38 0.25 1.28 -0.49 0.00 0.00 175.26 175.03