#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s51 n GLY 6 N 0.00 -0.51 3.74 1.09 0.00 -1.26 -4.99 105.19 103.26 1s51 n GLY 6 Ca 0.00 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1s51 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s51 n ARG 7 N -3.99 1.88 -0.20 1.61 1.74 -1.26 -4.92 116.66 111.52 1s51 n ARG 7 Ca -0.07 0.68 0.21 0.00 -0.77 0.00 0.00 57.85 57.90 1s51 n ARG 7 Cb 0.59 -2.56 0.57 0.00 -1.02 0.00 0.00 32.46 30.03 1s51 n ARG 7 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1s51 h PRO 8 N 1.77 0.28 -0.00 5.56 0.11 -2.00 -2.19 132.00 135.52 1s51 h PRO 8 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1s51 h PRO 8 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1s51 h PRO 8 CO 0.58 0.19 -0.01 -0.85 -0.21 0.00 0.00 178.00 177.70 1s51 n GLU 9 N -4.45 0.19 -0.07 1.05 0.00 -1.26 -4.17 120.64 111.93 1s51 n GLU 9 Ca 0.18 -0.01 0.12 0.00 0.00 0.00 0.00 57.16 57.45 1s51 n GLU 9 Cb 0.72 -1.50 0.51 0.00 0.00 0.00 0.00 31.44 31.17 1s51 n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1s51 h TRP 10 N 0.02 0.41 -0.49 -1.84 5.08 -1.76 -1.01 115.95 116.36 1s51 h TRP 10 Ca 0.00 0.01 -0.06 0.00 1.08 0.00 0.00 58.89 59.92 1s51 h TRP 10 Cb 0.41 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 26.41 1s51 h TRP 10 CO 0.00 0.20 0.08 0.97 -1.28 0.00 0.00 178.44 178.40 1s51 h ILE 11 N 0.39 1.22 -0.08 0.12 6.09 -1.82 0.15 117.51 123.59 1s51 h ILE 11 Ca 0.27 -0.86 -0.12 0.00 -1.37 0.00 0.00 64.86 62.79 1s51 h ILE 11 Cb 0.54 0.77 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 1s51 h ILE 11 CO -0.07 0.31 -0.47 -0.50 -3.07 0.00 0.00 178.15 174.35 1s51 h TRP 12 N 0.74 0.23 -0.19 2.19 -0.00 -1.49 -1.71 115.95 115.71 1s51 h TRP 12 Ca 0.16 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.89 58.82 1s51 h TRP 12 Cb 0.34 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 29.44 1s51 h TRP 12 CO 0.02 0.63 -0.52 -0.07 -0.00 0.00 0.00 178.44 178.50 1s51 h LEU 13 N 0.15 0.60 -0.58 -4.49 4.07 -0.84 -1.33 115.31 112.89 1s51 h LEU 13 Ca 0.01 -0.31 -0.15 0.00 0.08 0.00 0.00 57.88 57.51 1s51 h LEU 13 Cb 0.89 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1s51 h LEU 13 CO 0.07 1.01 -0.52 0.00 -1.08 0.00 0.00 178.44 177.92 1s51 h ALA 14 N 1.00 0.76 -0.05 1.53 0.00 -0.40 -2.33 119.26 119.78 1s51 h ALA 14 Ca 0.01 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 1s51 h ALA 14 Cb 1.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1s51 h ALA 14 CO 0.10 0.68 -0.76 1.25 0.00 0.00 0.00 179.25 180.52 1s51 h LEU 15 N 0.39 0.37 -0.38 0.00 6.46 -1.24 -1.74 115.31 119.17 1s51 h LEU 15 Ca 0.01 -0.26 -0.17 0.00 -0.12 0.00 0.00 57.88 57.35 1s51 h LEU 15 Cb 1.05 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1s51 h LEU 15 CO 0.10 1.00 -0.45 1.23 -0.62 0.00 0.00 178.44 179.69 1s51 h GLY 16 N 1.48 0.96 0.95 3.75 0.00 -1.16 -1.61 103.07 107.44 1s51 h GLY 16 Ca -0.03 -1.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.26 1s51 h GLY 16 CO 0.12 0.93 0.02 -0.84 0.00 0.00 0.00 176.54 176.77 1s51 h THR 17 N 0.70 1.05 -0.47 4.70 2.02 -1.41 -0.99 112.91 118.51 1s51 h THR 17 Ca 0.04 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1s51 h THR 17 Cb 1.05 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1s51 h THR 17 CO 0.10 0.04 0.31 0.00 0.37 0.00 0.00 175.52 176.34 1s51 h ALA 18 N 0.95 0.59 -0.23 6.16 0.00 -1.29 -0.96 119.26 124.49 1s51 h ALA 18 Ca 0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1s51 h ALA 18 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1s51 h ALA 18 CO -0.00 0.03 -0.50 -0.07 0.00 0.00 0.00 179.25 178.71 1s51 h LEU 19 N 0.63 0.70 -0.33 0.00 3.38 -1.15 -2.18 115.31 116.35 1s51 h LEU 19 Ca 0.17 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1s51 h LEU 19 Cb -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1s51 h LEU 19 CO -0.04 1.08 -0.16 0.24 0.09 0.00 0.00 178.44 179.65 1s51 h MET 20 N 0.50 0.69 0.47 1.13 2.86 -1.12 -1.13 114.93 118.32 1s51 h MET 20 Ca 0.02 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1s51 h MET 20 Cb 1.05 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1s51 h MET 20 CO 0.10 0.90 -0.23 0.78 1.06 0.00 0.00 176.91 179.52 1s51 h GLY 21 N 0.46 -0.66 0.64 8.32 0.00 -1.15 0.09 103.07 110.77 1s51 h GLY 21 Ca 0.07 0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.69 1s51 h GLY 21 CO 0.05 -0.24 -0.02 1.41 0.00 0.00 0.00 176.54 177.74 1s51 h LEU 22 N -0.78 -0.13 -0.56 3.11 3.38 -1.45 -1.85 115.31 117.04 1s51 h LEU 22 Ca -0.06 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1s51 h LEU 22 Cb 0.55 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1s51 h LEU 22 CO 0.11 -0.04 0.28 1.23 0.09 0.00 0.00 178.44 180.11 1s51 h GLY 23 N 0.04 0.79 0.95 0.83 0.00 -1.16 -2.11 103.07 102.41 1s51 h GLY 23 Ca 0.10 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1s51 h GLY 23 CO -0.19 0.11 0.15 0.23 0.00 0.00 0.00 176.54 176.84 1s51 h SER 24 N 0.53 0.24 -0.13 0.19 0.87 -0.63 -2.04 113.55 112.58 1s51 h SER 24 Ca 0.25 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1s51 h SER 24 Cb 0.17 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1s51 h SER 24 CO -0.18 0.18 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.14 1s51 h LEU 25 N 0.31 -0.29 -1.19 2.23 3.38 -1.06 0.20 115.31 118.88 1s51 h LEU 25 Ca 0.10 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1s51 h LEU 25 Cb -0.01 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1s51 h LEU 25 CO -0.04 -0.12 0.22 0.22 0.09 0.00 0.00 178.44 178.80 1s51 h TYR 26 N -0.10 0.78 -0.25 1.13 3.20 -1.32 0.41 116.97 120.82 1s51 h TYR 26 Ca 0.08 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1s51 h TYR 26 Cb 0.21 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1s51 h TYR 26 CO -0.22 0.61 -0.16 0.74 -1.64 0.00 0.00 178.16 177.49 1s51 h PHE 27 N 0.78 0.65 0.13 -3.82 0.04 -0.60 -1.11 116.94 113.00 1s51 h PHE 27 Ca 0.19 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1s51 h PHE 27 Cb 0.15 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1s51 h PHE 27 CO 0.01 0.84 -0.06 1.25 -0.60 0.00 0.00 178.31 179.75 1s51 h LEU 28 N 0.27 -0.14 -0.44 1.54 7.12 -0.19 0.51 115.31 123.98 1s51 h LEU 28 Ca 0.05 -0.02 0.08 0.00 0.13 0.00 0.00 57.88 58.12 1s51 h LEU 28 Cb 0.69 0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.79 1s51 h LEU 28 CO 0.05 -0.07 0.05 0.58 -0.13 0.00 0.00 178.44 178.91 1s51 h VAL 29 N -0.20 0.72 -0.15 1.05 2.07 -0.15 -1.03 116.25 118.57 1s51 h VAL 29 Ca -0.02 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1s51 h VAL 29 Cb 0.16 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1s51 h VAL 29 CO 0.03 0.03 -0.43 0.50 0.02 0.00 0.00 177.57 177.72 1s51 h LYS 30 N 0.17 0.34 -0.20 1.57 3.64 -1.02 -3.20 116.57 117.88 1s51 h LYS 30 Ca 0.22 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1s51 h LYS 30 Cb 0.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1s51 h LYS 30 CO -0.32 0.71 -0.45 0.78 -2.27 0.00 0.00 179.45 177.91 1s51 h GLY 31 N 1.19 0.53 0.21 5.01 0.00 0.81 -3.17 103.07 107.65 1s51 h GLY 31 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1s51 h GLY 31 CO 0.07 0.50 0.00 1.03 0.00 0.00 0.00 176.54 178.14 1s51 n MET 32 N -4.00 1.25 -0.09 4.80 2.81 -0.46 -3.31 117.12 118.11 1s51 n MET 32 Ca -0.02 -0.37 -0.10 0.00 -1.81 0.00 0.00 57.70 55.40 1s51 n MET 32 Cb 0.53 -1.38 -0.14 0.00 -0.71 0.00 0.00 33.22 31.53 1s51 n MET 32 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s51 n GLY 33 N 0.95 -0.78 3.76 3.03 0.00 -1.20 -4.97 105.19 105.98 1s51 n GLY 33 Ca 0.17 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1s51 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s51 s VAL 34 N -2.44 2.62 -0.03 1.61 1.01 -1.20 -4.96 120.40 117.01 1s51 s VAL 34 Ca -0.13 0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1s51 s VAL 34 Cb 0.06 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 1s51 s VAL 34 CO 0.70 -0.02 0.10 -1.54 0.00 0.00 0.00 175.10 174.33 1s51 n SER 35 N -0.91 3.56 -4.71 3.32 3.41 -1.26 -4.95 113.62 112.08 1s51 n SER 35 Ca 0.10 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.28 1s51 n SER 35 Cb 0.47 1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 65.45 1s51 n SER 35 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s51 n ASP 36 N -1.89 3.89 0.14 4.04 2.03 -1.26 -4.89 116.55 118.60 1s51 n ASP 36 Ca -0.04 1.05 -0.13 0.00 0.52 0.00 0.00 54.79 56.19 1s51 n ASP 36 Cb 0.35 -1.55 -0.06 0.00 -0.72 0.00 0.00 41.12 39.13 1s51 n ASP 36 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1s51 h PRO 37 N 7.00 -0.38 -0.72 -0.67 0.11 -1.97 -1.63 132.00 133.75 1s51 h PRO 37 Ca -0.44 0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.71 1s51 h PRO 37 Cb 1.21 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 1s51 h PRO 37 CO 0.95 -0.25 0.46 -0.44 -0.21 0.00 0.00 178.00 178.51 1s51 h ASP 38 N -0.39 0.78 -0.48 -2.05 3.32 -1.90 -0.24 116.42 115.46 1s51 h ASP 38 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1s51 h ASP 38 Cb 0.37 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1s51 h ASP 38 CO -0.05 0.56 0.31 0.00 -1.72 0.00 0.00 179.24 178.33 1s51 h ALA 39 N 1.28 1.62 -0.24 3.45 0.00 -1.35 -2.04 119.26 121.99 1s51 h ALA 39 Ca 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1s51 h ALA 39 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1s51 h ALA 39 CO -0.08 0.34 0.13 0.87 0.00 0.00 0.00 179.25 180.52 1s51 h LYS 40 N 0.67 0.27 -0.37 0.00 1.79 -0.07 -0.58 116.57 118.28 1s51 h LYS 40 Ca 0.18 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.68 1s51 h LYS 40 Cb -0.05 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 30.47 1s51 h LYS 40 CO -0.04 0.18 -0.46 -0.22 -1.08 0.00 0.00 179.45 177.83 1s51 h LYS 41 N 0.28 -0.29 -0.66 3.15 3.64 -0.55 -1.25 116.57 120.88 1s51 h LYS 41 Ca 0.09 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1s51 h LYS 41 Cb -0.00 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1s51 h LYS 41 CO -0.05 -0.20 0.43 0.74 -2.27 0.00 0.00 179.45 178.11 1s51 h PHE 42 N -0.30 0.82 -0.88 1.91 0.04 -1.34 -2.69 116.94 114.50 1s51 h PHE 42 Ca 0.06 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1s51 h PHE 42 Cb 0.48 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 1s51 h PHE 42 CO -0.73 0.51 0.54 1.88 -0.60 0.00 0.00 178.31 179.91 1s51 h TYR 43 N 0.88 1.14 -0.28 -0.55 0.05 -0.71 -1.62 116.97 115.88 1s51 h TYR 43 Ca 0.25 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.89 1s51 h TYR 43 Cb -0.09 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.27 1s51 h TYR 43 CO -0.03 0.75 -0.41 0.00 -1.05 0.00 0.00 178.16 177.42 1s51 h ALA 44 N 1.30 0.76 -0.02 3.88 0.00 -1.12 -1.44 119.26 122.61 1s51 h ALA 44 Ca 0.32 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1s51 h ALA 44 Cb -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1s51 h ALA 44 CO -0.06 0.66 -0.02 0.82 0.00 0.00 0.00 179.25 180.65 1s51 h ILE 45 N 0.55 1.35 0.00 0.00 2.04 -1.33 -2.78 117.51 117.34 1s51 h ILE 45 Ca 0.04 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1s51 h ILE 45 Cb 0.94 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1s51 h ILE 45 CO 0.09 0.28 -0.05 0.74 0.00 0.00 0.00 178.15 179.21 1s51 h THR 46 N -0.38 0.19 0.16 -0.27 2.02 -1.28 -2.32 112.91 111.03 1s51 h THR 46 Ca 0.00 -0.46 -0.34 0.00 0.77 0.00 0.00 66.41 66.38 1s51 h THR 46 Cb 0.47 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1s51 h THR 46 CO 0.00 0.05 -1.76 0.74 0.37 0.00 0.00 175.52 174.92 1s51 h THR 47 N 0.00 0.87 -0.77 3.16 2.02 -1.31 -3.36 112.91 113.52 1s51 h THR 47 Ca -0.00 -2.45 0.08 0.00 0.77 0.00 0.00 66.41 64.81 1s51 h THR 47 Cb 0.38 2.69 -0.07 0.00 -1.74 0.00 0.00 68.15 69.41 1s51 h THR 47 CO 0.01 0.84 0.43 0.25 0.37 0.00 0.00 175.52 177.42 1s51 h LEU 48 N 0.03 0.63 0.08 2.58 5.85 -1.19 -2.70 115.31 120.58 1s51 h LEU 48 Ca -0.36 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.42 1s51 h LEU 48 Cb 2.03 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.93 1s51 h LEU 48 CO 0.13 0.38 -0.53 0.58 -0.34 0.00 0.00 178.44 178.67 1s51 h VAL 49 N 0.76 0.01 0.00 1.05 2.07 -1.57 -0.45 116.25 118.11 1s51 h VAL 49 Ca 0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.88 1s51 h VAL 49 Cb 0.29 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1s51 h VAL 49 CO -0.22 0.00 0.00 1.55 0.02 0.00 0.00 177.57 178.92 1s51 h PRO 50 N -0.72 0.00 -0.19 1.57 0.13 -1.70 -2.58 132.00 128.50 1s51 h PRO 50 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1s51 h PRO 50 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1s51 h PRO 50 CO -0.31 0.00 -0.31 0.00 -0.23 0.00 0.00 178.00 177.15 1s51 h ALA 51 N 2.34 0.30 -0.14 -0.56 0.00 -1.07 0.01 119.26 120.14 1s51 h ALA 51 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1s51 h ALA 51 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1s51 h ALA 51 CO 0.00 0.32 0.04 0.82 0.00 0.00 0.00 179.25 180.43 1s51 h ILE 52 N 0.21 1.19 -0.75 0.00 2.04 -0.97 -2.46 117.51 116.77 1s51 h ILE 52 Ca 0.02 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.35 1s51 h ILE 52 Cb 0.89 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.23 1s51 h ILE 52 CO 0.07 0.17 0.44 0.00 0.00 0.00 0.00 178.15 178.84 1s51 h ALA 53 N 0.85 1.01 0.06 1.87 0.00 -1.42 -2.21 119.26 119.42 1s51 h ALA 53 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1s51 h ALA 53 Cb 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1s51 h ALA 53 CO -0.00 0.16 -0.14 0.35 0.00 0.00 0.00 179.25 179.62 1s51 h PHE 54 N 0.82 -0.36 -0.57 0.00 3.57 -0.89 0.41 116.94 119.93 1s51 h PHE 54 Ca 0.33 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.87 1s51 h PHE 54 Cb 0.16 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1s51 h PHE 54 CO -0.05 -0.21 0.38 1.79 -2.23 0.00 0.00 178.31 177.99 1s51 h THR 55 N -0.26 1.05 0.05 4.41 1.35 -1.09 0.15 112.91 118.58 1s51 h THR 55 Ca 0.03 -0.22 -0.26 0.00 -0.55 0.00 0.00 66.41 65.41 1s51 h THR 55 Cb 0.29 0.36 0.01 0.00 -1.73 0.00 0.00 68.15 67.08 1s51 h THR 55 CO -0.09 0.12 -1.09 0.24 -0.25 0.00 0.00 175.52 174.44 1s51 h MET 56 N 0.64 0.51 -0.55 4.72 2.86 -1.01 -1.55 114.93 120.54 1s51 h MET 56 Ca 0.23 -0.62 -0.05 0.00 -2.06 0.00 0.00 59.70 57.21 1s51 h MET 56 Cb 0.13 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1s51 h MET 56 CO -0.06 1.24 0.15 1.88 1.06 0.00 0.00 176.91 181.18 1s51 h TYR 57 N 0.25 0.92 0.19 -0.22 0.05 -0.60 -1.33 116.97 116.23 1s51 h TYR 57 Ca -0.13 -0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.56 1s51 h TYR 57 Cb 1.75 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 39.21 1s51 h TYR 57 CO 0.08 0.79 -0.25 1.25 -1.05 0.00 0.00 178.16 178.98 1s51 h LEU 58 N 0.78 -0.69 -0.72 3.88 6.46 -0.95 0.84 115.31 124.91 1s51 h LEU 58 Ca 0.18 0.07 0.09 0.00 -0.12 0.00 0.00 57.88 58.09 1s51 h LEU 58 Cb 0.32 0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.43 1s51 h LEU 58 CO -0.00 -0.35 0.37 0.28 -0.62 0.00 0.00 178.44 178.12 1s51 h SER 59 N -0.50 0.50 -0.47 1.25 0.02 -1.08 0.39 113.55 113.67 1s51 h SER 59 Ca 0.01 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1s51 h SER 59 Cb 0.49 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1s51 h SER 59 CO -0.10 0.29 -0.18 0.24 -1.14 0.00 0.00 176.83 175.95 1s51 h MET 60 N 0.64 0.95 -0.98 3.45 2.86 -0.74 0.18 114.93 121.30 1s51 h MET 60 Ca 0.35 -0.40 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1s51 h MET 60 Cb 0.34 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 1s51 h MET 60 CO -0.25 1.06 0.65 1.25 1.06 0.00 0.00 176.91 180.68 1s51 h LEU 61 N 0.80 1.11 -0.33 1.22 5.85 0.16 -2.20 115.31 121.93 1s51 h LEU 61 Ca 0.11 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1s51 h LEU 61 Cb 0.75 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1s51 h LEU 61 CO 0.06 0.80 0.00 0.18 -0.34 0.00 0.00 178.44 179.14 1s51 n LEU 62 N -4.39 0.47 0.00 2.25 4.77 0.04 -4.88 117.00 115.25 1s51 n LEU 62 Ca 0.12 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1s51 n LEU 62 Cb 0.03 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1s51 n LEU 62 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1s51 n GLY 63 N 0.61 0.65 4.00 -0.72 0.00 -0.80 -5.03 105.19 103.90 1s51 n GLY 63 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1s51 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s51 s TYR 64 N -2.20 2.79 -0.63 1.61 1.51 0.56 -4.61 117.35 116.38 1s51 s TYR 64 Ca 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1s51 s TYR 64 Cb 0.00 -2.37 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 1s51 s TYR 64 CO 0.00 -0.41 0.00 0.41 -1.11 0.00 0.00 175.55 174.44 1s51 n GLY 65 N -1.84 0.82 3.19 0.71 0.00 -1.26 -3.68 105.19 103.13 1s51 n GLY 65 Ca 0.08 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 1s51 n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s51 s LEU 66 N -1.36 1.99 -0.03 0.99 2.96 -1.26 -0.01 118.68 121.96 1s51 s LEU 66 Ca 0.00 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.47 1s51 s LEU 66 Cb 0.00 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.62 1s51 s LEU 66 CO 0.00 0.20 0.13 0.28 -1.32 0.00 0.00 176.35 175.65 1s51 s THR 67 N -0.18 0.04 -0.35 3.68 -1.32 -0.11 -4.93 115.64 112.47 1s51 s THR 67 Ca 0.00 -0.30 -0.23 0.00 -1.21 0.00 0.00 61.69 59.95 1s51 s THR 67 Cb -0.11 -0.29 0.01 0.00 -1.51 0.00 0.00 72.50 70.60 1s51 s THR 67 CO 0.01 -0.17 0.78 -0.04 -2.21 0.00 0.00 174.62 173.00 1s51 s MET 68 N -0.55 3.81 -0.14 7.08 -1.94 -1.25 0.72 119.30 127.04 1s51 s MET 68 Ca -0.06 0.39 -0.02 0.00 -1.71 0.00 0.00 55.69 54.29 1s51 s MET 68 Cb -0.04 -3.79 -0.02 0.00 2.01 0.00 0.00 34.83 32.99 1s51 s MET 68 CO 0.01 -0.80 -0.07 0.08 -0.01 0.00 0.00 175.02 174.22 1s51 s VAL 69 N 3.06 3.56 -0.04 -6.03 1.01 0.41 -4.79 120.40 117.58 1s51 s VAL 69 Ca 0.32 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1s51 s VAL 69 Cb -0.13 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1s51 s VAL 69 CO 0.16 0.52 0.83 -2.16 0.00 0.00 0.00 175.10 174.44 1s51 s PRO 70 N 0.24 4.48 -0.28 2.72 0.04 -1.26 0.88 135.00 141.82 1s51 s PRO 70 Ca -0.05 1.12 -0.32 0.00 0.04 0.00 0.00 61.00 61.79 1s51 s PRO 70 Cb -0.14 -3.46 0.18 0.00 0.04 0.00 0.00 34.50 31.12 1s51 s PRO 70 CO 0.04 -0.00 1.36 -0.59 0.04 0.00 0.00 177.00 177.85 1s51 s PHE 71 N 0.96 -0.03 -1.65 0.56 -0.12 -0.57 -4.44 117.98 112.68 1s51 s PHE 71 Ca 0.44 0.04 0.00 0.00 -0.05 0.00 0.00 56.93 57.36 1s51 s PHE 71 Cb -0.19 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.70 1s51 s PHE 71 CO 0.22 -0.03 0.00 0.41 -0.05 0.00 0.00 175.22 175.77 1s51 n GLY 72 N 0.36 0.42 2.27 1.99 0.00 -1.26 -1.65 105.19 107.32 1s51 n GLY 72 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1s51 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s51 n GLY 73 N -0.94 0.49 3.36 -0.02 0.00 -1.26 -5.01 105.19 101.81 1s51 n GLY 73 Ca -0.20 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 1s51 n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s51 s GLU 74 N -1.13 1.38 -0.55 1.61 0.41 -0.66 -5.10 118.70 114.66 1s51 s GLU 74 Ca 0.00 -1.68 -0.17 0.00 -0.41 0.00 0.00 54.97 52.71 1s51 s GLU 74 Cb 0.00 -0.87 0.12 0.00 -1.78 0.00 0.00 34.13 31.60 1s51 s GLU 74 CO 0.00 0.00 0.56 -1.14 -0.49 0.00 0.00 175.26 174.19 1s51 s GLN 75 N -3.78 3.01 -0.15 1.61 2.00 -1.26 -1.51 119.66 119.58 1s51 s GLN 75 Ca 0.27 -1.56 -0.15 0.00 -2.00 0.00 0.00 55.36 51.92 1s51 s GLN 75 Cb 0.04 -4.28 -0.04 0.00 0.80 0.00 0.00 33.01 29.53 1s51 s GLN 75 CO 0.09 -1.37 0.35 -0.80 -0.50 0.00 0.00 175.29 173.05 1s51 s ASN 76 N 3.54 6.51 -0.57 6.67 -0.87 0.26 -4.80 114.94 125.67 1s51 s ASN 76 Ca 0.06 0.60 -0.28 0.00 -1.57 0.00 0.00 52.86 51.67 1s51 s ASN 76 Cb -0.28 -2.21 0.01 0.00 -0.02 0.00 0.00 41.25 38.74 1s51 s ASN 76 CO 0.04 0.06 1.52 -2.16 -2.57 0.00 0.00 177.10 173.99 1s51 s PRO 77 N 0.55 3.16 -0.25 -0.60 0.04 -1.26 0.15 135.00 136.79 1s51 s PRO 77 Ca 0.19 0.49 -0.04 0.00 0.04 0.00 0.00 61.00 61.68 1s51 s PRO 77 Cb -0.14 -4.19 0.01 0.00 0.04 0.00 0.00 34.50 30.22 1s51 s PRO 77 CO 0.06 -2.11 -0.02 0.42 0.04 0.00 0.00 177.00 175.39 1s51 s ILE 78 N 6.68 3.38 -0.86 0.56 -1.09 0.22 -4.85 121.20 125.24 1s51 s ILE 78 Ca 0.56 -0.71 -0.24 0.00 -2.23 0.00 0.00 60.65 58.03 1s51 s ILE 78 Cb -0.12 -2.65 0.05 0.00 -1.58 0.00 0.00 42.46 38.17 1s51 s ILE 78 CO 0.24 0.26 1.29 -0.31 -1.23 0.00 0.00 174.94 175.19 1s51 s TYR 79 N 1.44 2.52 -0.57 3.97 2.02 -1.26 -0.93 117.35 124.53 1s51 s TYR 79 Ca 0.03 -0.58 0.25 0.00 -0.37 0.00 0.00 57.07 56.40 1s51 s TYR 79 Cb -0.16 -4.58 0.59 0.00 -0.40 0.00 0.00 41.96 37.41 1s51 s TYR 79 CO -0.02 -1.91 1.70 0.11 -1.57 0.00 0.00 175.55 173.86 1s51 h TRP 80 N 9.75 0.00 -0.26 2.71 5.08 -0.79 -3.12 115.95 129.32 1s51 h TRP 80 Ca -0.04 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.01 1s51 h TRP 80 Cb 1.03 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.18 1s51 h TRP 80 CO 1.17 0.00 0.20 0.00 -1.28 0.00 0.00 178.44 178.53 1s51 h ALA 81 N 2.25 2.20 -0.63 0.11 0.00 -1.65 -1.98 119.26 119.56 1s51 h ALA 81 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1s51 h ALA 81 Cb 0.86 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1s51 h ALA 81 CO 0.00 -0.33 0.23 0.00 0.00 0.00 0.00 179.25 179.15 1s51 h ARG 82 N 0.00 0.40 0.00 0.00 3.08 -1.81 -1.59 114.38 114.45 1s51 h ARG 82 Ca 0.12 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1s51 h ARG 82 Cb 0.52 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1s51 h ARG 82 CO -0.00 0.26 -0.21 1.88 -1.07 0.00 0.00 179.97 180.83 1s51 h TYR 83 N 0.41 0.00 0.00 3.04 0.05 -1.58 -1.82 116.97 117.06 1s51 h TYR 83 Ca 0.32 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.00 1s51 h TYR 83 Cb 0.42 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1s51 h TYR 83 CO -0.17 0.21 -0.48 0.00 -1.05 0.00 0.00 178.16 176.67 1s51 h ALA 84 N 1.79 1.18 0.12 3.88 0.00 -1.32 0.20 119.26 125.11 1s51 h ALA 84 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1s51 h ALA 84 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1s51 h ALA 84 CO 0.03 0.59 -0.06 0.22 0.00 0.00 0.00 179.25 180.04 1s51 h ASP 85 N 0.00 -0.13 -0.35 0.00 1.82 -1.09 -3.35 116.42 113.32 1s51 h ASP 85 Ca -0.00 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 56.74 1s51 h ASP 85 Cb 0.86 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1s51 h ASP 85 CO 0.06 0.12 0.27 -0.50 -1.61 0.00 0.00 179.24 177.58 1s51 h TRP 86 N -0.58 0.00 -0.74 0.28 6.55 -1.34 -0.98 115.95 119.13 1s51 h TRP 86 Ca -0.02 0.00 0.11 0.00 0.95 0.00 0.00 58.89 59.94 1s51 h TRP 86 Cb 0.12 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.37 1s51 h TRP 86 CO 0.02 0.00 0.49 1.25 -1.05 0.00 0.00 178.44 179.15 1s51 h LEU 87 N 0.00 0.51 0.00 -4.49 5.85 -0.73 -2.09 115.31 114.36 1s51 h LEU 87 Ca 0.17 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 1s51 h LEU 87 Cb 0.71 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1s51 h LEU 87 CO -0.00 0.29 -1.80 0.49 -0.34 0.00 0.00 178.44 177.07 1s51 n PHE 88 N -4.49 0.00 0.12 1.25 3.72 -0.65 -4.43 117.46 112.98 1s51 n PHE 88 Ca 0.13 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.32 1s51 n PHE 88 Cb 0.40 -0.52 -0.15 0.00 -0.94 0.00 0.00 39.48 38.27 1s51 n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1s51 h THR 89 N 0.00 1.32 -0.55 4.37 1.35 -1.19 -3.08 112.91 115.13 1s51 h THR 89 Ca -0.22 -2.82 -0.05 0.00 -0.55 0.00 0.00 66.41 62.78 1s51 h THR 89 Cb 1.36 2.98 -0.02 0.00 -1.73 0.00 0.00 68.15 70.73 1s51 h THR 89 CO 0.01 0.84 0.15 0.71 -0.25 0.00 0.00 175.52 176.99 1s51 h THR 90 N 0.12 1.24 0.00 6.82 1.35 -1.62 -2.32 112.91 118.50 1s51 h THR 90 Ca -0.22 -0.84 -0.09 0.00 -0.55 0.00 0.00 66.41 64.71 1s51 h THR 90 Cb 2.09 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1s51 h THR 90 CO 0.24 0.31 -0.41 1.55 -0.25 0.00 0.00 175.52 176.96 1s51 h PRO 91 N 0.77 0.00 -0.62 4.72 0.13 -1.76 -2.55 132.00 132.69 1s51 h PRO 91 Ca 0.17 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.23 1s51 h PRO 91 Cb 0.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 1s51 h PRO 91 CO -0.00 0.41 0.09 -0.07 -0.23 0.00 0.00 178.00 178.20 1s51 h LEU 92 N 0.00 0.99 -1.12 1.56 3.38 -1.41 0.23 115.31 118.94 1s51 h LEU 92 Ca -0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1s51 h LEU 92 Cb 0.82 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1s51 h LEU 92 CO 0.05 1.01 0.09 -0.07 0.09 0.00 0.00 178.44 179.61 1s51 h LEU 93 N 0.94 0.66 -0.50 1.67 3.38 -1.26 -1.56 115.31 118.65 1s51 h LEU 93 Ca 0.19 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1s51 h LEU 93 Cb 0.44 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1s51 h LEU 93 CO 0.01 0.67 -0.28 -0.07 0.09 0.00 0.00 178.44 178.86 1s51 h LEU 94 N 0.69 0.96 -0.61 1.67 4.07 -1.16 -2.67 115.31 118.26 1s51 h LEU 94 Ca 0.15 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 57.70 1s51 h LEU 94 Cb 0.29 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 1s51 h LEU 94 CO 0.00 1.17 0.29 0.25 -1.08 0.00 0.00 178.44 179.07 1s51 h LEU 95 N 0.78 0.81 -0.46 1.67 5.85 -0.25 -1.18 115.31 122.53 1s51 h LEU 95 Ca 0.09 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1s51 h LEU 95 Cb 0.86 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1s51 h LEU 95 CO 0.08 0.72 0.24 0.44 -0.34 0.00 0.00 178.44 179.58 1s51 h ASP 96 N 0.84 0.36 -0.14 1.25 3.32 -1.21 0.03 116.42 120.87 1s51 h ASP 96 Ca 0.21 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 1s51 h ASP 96 Cb 0.13 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1s51 h ASP 96 CO -0.03 0.26 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.50 1s51 h LEU 97 N 0.48 0.55 -0.32 1.55 3.38 -1.10 -2.52 115.31 117.32 1s51 h LEU 97 Ca 0.19 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1s51 h LEU 97 Cb 0.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1s51 h LEU 97 CO -0.12 0.74 -0.59 0.00 0.09 0.00 0.00 178.44 178.56 1s51 h ALA 98 N 1.31 0.49 0.00 1.53 0.00 -0.63 -2.86 119.26 119.10 1s51 h ALA 98 Ca 0.08 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1s51 h ALA 98 Cb 0.60 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1s51 h ALA 98 CO 0.04 0.69 -0.38 -0.07 0.00 0.00 0.00 179.25 179.53 1s51 h LEU 99 N 0.60 0.00 -0.38 0.00 3.38 -0.95 0.39 115.31 118.35 1s51 h LEU 99 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1s51 h LEU 99 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1s51 h LEU 99 CO 0.12 0.38 -0.10 0.25 0.09 0.00 0.00 178.44 179.19 1s51 h LEU 100 N 0.00 0.75 -2.51 1.67 5.85 -1.23 -3.20 115.31 116.64 1s51 h LEU 100 Ca -0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1s51 h LEU 100 Cb 0.78 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1s51 h LEU 100 CO 0.05 0.94 0.00 1.33 -0.34 0.00 0.00 178.44 180.42 1s51 n VAL 101 N -4.36 0.78 -3.48 1.05 0.24 -1.12 -4.95 118.33 106.49 1s51 n VAL 101 Ca -0.01 -0.88 -0.21 0.00 -2.04 0.00 0.00 64.34 61.20 1s51 n VAL 101 Cb 0.36 0.67 0.08 0.00 -1.47 0.00 0.00 33.84 33.48 1s51 n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1s51 n ASP 102 N 1.56 -4.78 -4.60 -1.34 2.03 -0.81 -4.48 116.55 104.12 1s51 n ASP 102 Ca 0.22 -0.54 -0.34 0.00 0.52 0.00 0.00 54.79 54.65 1s51 n ASP 102 Cb 0.61 -4.85 0.11 0.00 -0.72 0.00 0.00 41.12 36.27 1s51 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s51 n ALA 103 N -4.58 -0.64 -1.81 -1.67 0.00 0.06 -4.98 120.51 106.88 1s51 n ALA 103 Ca -0.09 -0.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.72 1s51 n ALA 103 Cb 0.59 -2.10 0.02 0.00 0.00 0.00 0.00 19.45 17.96 1s51 n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s51 s ASP 104 N -1.91 6.02 0.23 0.00 1.01 -1.26 -4.92 116.67 115.85 1s51 s ASP 104 Ca 0.70 1.44 -0.07 0.00 0.71 0.00 0.00 52.55 55.32 1s51 s ASP 104 Cb -0.30 -2.44 0.22 0.00 1.01 0.00 0.00 42.92 41.41 1s51 s ASP 104 CO 0.54 -1.01 1.89 -0.61 0.21 0.00 0.00 175.17 176.19 1s51 h GLN 105 N -0.42 1.23 -0.64 8.23 4.15 -2.00 -2.17 115.11 123.50 1s51 h GLN 105 Ca -0.44 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 58.85 1s51 h GLN 105 Cb 1.20 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 28.59 1s51 h GLN 105 CO 0.61 0.85 0.30 0.78 -1.93 0.00 0.00 178.83 179.45 1s51 h GLY 106 N 1.26 0.98 0.83 2.39 0.00 -1.99 0.25 103.07 106.79 1s51 h GLY 106 Ca 0.33 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1s51 h GLY 106 CO -0.06 0.44 -0.20 -0.84 0.00 0.00 0.00 176.54 175.87 1s51 h THR 107 N 0.91 0.56 -0.33 4.70 2.02 -1.86 0.25 112.91 119.16 1s51 h THR 107 Ca 0.22 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1s51 h THR 107 Cb 0.10 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 1s51 h THR 107 CO -0.03 0.05 0.02 0.40 0.37 0.00 0.00 175.52 176.34 1s51 h ILE 108 N -0.75 0.79 -0.11 3.11 2.04 -1.19 0.33 117.51 121.73 1s51 h ILE 108 Ca -0.06 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1s51 h ILE 108 Cb 0.53 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1s51 h ILE 108 CO 0.10 0.02 -0.02 0.25 0.00 0.00 0.00 178.15 178.50 1s51 h LEU 109 N 0.12 -0.08 -1.40 1.44 6.46 -0.90 0.19 115.31 121.14 1s51 h LEU 109 Ca 0.16 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1s51 h LEU 109 Cb 0.20 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1s51 h LEU 109 CO -0.25 -0.02 -0.21 0.00 -0.62 0.00 0.00 178.44 177.34 1s51 h ALA 110 N 1.11 1.51 -0.11 1.25 0.00 -0.28 0.86 119.26 123.60 1s51 h ALA 110 Ca 0.05 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 1s51 h ALA 110 Cb 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1s51 h ALA 110 CO -0.11 0.36 -0.73 -0.07 0.00 0.00 0.00 179.25 178.70 1s51 h LEU 111 N 0.12 0.83 -0.89 0.00 3.38 0.52 -2.25 115.31 117.01 1s51 h LEU 111 Ca 0.02 -0.65 -0.09 0.00 0.09 0.00 0.00 57.88 57.25 1s51 h LEU 111 Cb 0.45 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1s51 h LEU 111 CO 0.03 1.36 -0.14 0.58 0.09 0.00 0.00 178.44 180.36 1s51 h VAL 112 N 0.37 1.25 -0.25 1.22 2.07 -0.47 -1.99 116.25 118.44 1s51 h VAL 112 Ca -0.06 -1.16 -0.12 0.00 0.82 0.00 0.00 66.70 66.18 1s51 h VAL 112 Cb 1.37 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1s51 h VAL 112 CO 0.15 0.39 -0.36 1.23 0.02 0.00 0.00 177.57 179.00 1s51 h GLY 113 N 0.97 0.61 1.64 2.17 0.00 -0.82 -1.12 103.07 106.52 1s51 h GLY 113 Ca 0.10 -0.58 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 1s51 h GLY 113 CO 0.04 0.53 -0.62 0.00 0.00 0.00 0.00 176.54 176.48 1s51 h ALA 114 N 1.14 0.74 -0.35 3.60 0.00 -1.27 -2.80 119.26 120.33 1s51 h ALA 114 Ca 0.05 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1s51 h ALA 114 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1s51 h ALA 114 CO 0.07 0.73 -0.16 0.22 0.00 0.00 0.00 179.25 180.11 1s51 h ASP 115 N 0.27 0.75 -0.93 0.00 1.82 -1.26 -1.54 116.42 115.53 1s51 h ASP 115 Ca -0.01 -0.40 0.01 0.00 -0.39 0.00 0.00 57.03 56.24 1s51 h ASP 115 Cb 1.15 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 40.91 1s51 h ASP 115 CO 0.10 0.98 0.61 1.23 -1.61 0.00 0.00 179.24 180.56 1s51 h GLY 116 N 0.52 1.32 0.92 -0.78 0.00 -1.14 -2.16 103.07 101.73 1s51 h GLY 116 Ca 0.08 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1s51 h GLY 116 CO 0.05 0.49 0.02 -2.22 0.00 0.00 0.00 176.54 174.88 1s51 h ILE 117 N 1.27 1.08 -0.38 2.60 2.04 -1.33 -0.61 117.51 122.18 1s51 h ILE 117 Ca 0.34 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 66.05 1s51 h ILE 117 Cb -0.13 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 1s51 h ILE 117 CO -0.07 0.06 -0.18 -0.03 0.00 0.00 0.00 178.15 177.93 1s51 h MET 118 N -0.04 -0.11 -0.10 2.37 4.05 -1.04 0.39 114.93 120.45 1s51 h MET 118 Ca 0.01 0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.22 1s51 h MET 118 Cb 0.09 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1s51 h MET 118 CO -0.00 -0.07 -0.82 0.82 0.23 0.00 0.00 176.91 177.07 1s51 h ILE 119 N -0.12 1.32 -0.05 1.77 1.08 -1.42 -1.23 117.51 118.87 1s51 h ILE 119 Ca 0.19 -2.11 -0.00 0.00 -0.39 0.00 0.00 64.86 62.55 1s51 h ILE 119 Cb 0.40 2.11 -0.00 0.00 -3.07 0.00 0.00 36.82 36.26 1s51 h ILE 119 CO -0.45 0.65 0.02 1.23 -0.69 0.00 0.00 178.15 178.91 1s51 h GLY 120 N 0.82 0.09 1.82 5.37 0.00 -0.68 -1.44 103.07 109.05 1s51 h GLY 120 Ca -0.06 -0.05 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 1s51 h GLY 120 CO 0.16 0.05 -0.58 -0.91 0.00 0.00 0.00 176.54 175.25 1s51 h THR 121 N -0.11 1.39 -0.19 4.70 1.35 -0.32 -2.32 112.91 117.42 1s51 h THR 121 Ca 0.02 -1.95 0.02 0.00 -0.55 0.00 0.00 66.41 63.95 1s51 h THR 121 Cb 0.21 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 1s51 h THR 121 CO -0.00 0.57 0.06 1.23 -0.25 0.00 0.00 175.52 177.13 1s51 h GLY 122 N 1.51 0.22 1.00 5.82 0.00 -1.09 0.56 103.07 111.09 1s51 h GLY 122 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1s51 h GLY 122 CO 0.09 0.02 0.16 -2.00 0.00 0.00 0.00 176.54 174.81 1s51 h LEU 123 N 0.15 0.86 -0.78 3.11 5.85 -1.21 0.15 115.31 123.44 1s51 h LEU 123 Ca 0.08 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1s51 h LEU 123 Cb 0.05 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1s51 h LEU 123 CO -0.09 0.86 0.49 0.58 -0.34 0.00 0.00 178.44 179.94 1s51 h VAL 124 N 0.82 1.09 -0.21 1.05 2.07 -1.13 -0.44 116.25 119.49 1s51 h VAL 124 Ca 0.18 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1s51 h VAL 124 Cb 0.32 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1s51 h VAL 124 CO -0.00 0.17 0.05 1.23 0.02 0.00 0.00 177.57 179.04 1s51 h GLY 125 N 0.94 0.37 2.00 2.17 0.00 -0.31 0.07 103.07 108.31 1s51 h GLY 125 Ca 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1s51 h GLY 125 CO -0.13 0.22 0.00 0.00 0.00 0.00 0.00 176.54 176.63 1s51 h ALA 126 N 0.86 1.00 0.00 3.60 0.00 -0.16 -2.87 119.26 121.70 1s51 h ALA 126 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s51 h ALA 126 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1s51 h ALA 126 CO 0.00 0.00 -1.45 1.28 0.00 0.00 0.00 179.25 179.08 1s51 n LEU 127 N -2.35 0.37 -4.74 0.00 4.77 -0.23 -4.92 117.00 109.91 1s51 n LEU 127 Ca 0.00 -0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.35 1s51 n LEU 127 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1s51 n LEU 127 CO 0.16 0.09 1.13 -0.89 -1.33 0.00 0.00 177.39 176.55 1s51 s THR 128 N -3.09 2.67 -0.25 -5.08 2.01 -0.03 -4.94 115.64 106.92 1s51 s THR 128 Ca -0.01 0.54 0.23 0.00 0.31 0.00 0.00 61.69 62.76 1s51 s THR 128 Cb 0.13 -3.35 -0.00 0.00 0.01 0.00 0.00 72.50 69.29 1s51 s THR 128 CO 0.78 0.08 1.05 0.29 -0.69 0.00 0.00 174.62 176.13 1s51 n LYS 129 N 2.69 0.59 -3.10 4.92 5.02 -1.26 -4.72 118.16 122.30 1s51 n LYS 129 Ca 0.08 0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 56.08 1s51 n LYS 129 Cb 0.40 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 1s51 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s51 s VAL 130 N -3.36 4.90 0.16 -0.18 1.01 -1.26 -4.42 120.40 117.25 1s51 s VAL 130 Ca -0.00 0.75 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 1s51 s VAL 130 Cb 0.10 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1s51 s VAL 130 CO 0.79 -0.23 1.57 0.22 0.00 0.00 0.00 175.10 177.45 1s51 h TYR 131 N 8.32 -1.28 -0.45 5.22 5.03 -1.91 -2.42 116.97 129.48 1s51 h TYR 131 Ca -0.26 0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.10 1s51 h TYR 131 Cb 1.11 0.63 -0.02 0.00 1.55 0.00 0.00 36.73 40.00 1s51 h TYR 131 CO 0.76 -0.43 0.18 0.66 -1.32 0.00 0.00 178.16 178.00 1s51 h SER 132 N -0.28 0.57 0.44 -2.11 4.64 -1.97 -2.06 113.55 112.77 1s51 h SER 132 Ca 0.15 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1s51 h SER 132 Cb 0.57 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1s51 h SER 132 CO -0.63 0.52 -0.07 1.88 -0.87 0.00 0.00 176.83 177.66 1s51 h TYR 133 N 0.63 0.00 -0.47 4.77 0.05 -1.85 -1.48 116.97 118.61 1s51 h TYR 133 Ca 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 1s51 h TYR 133 Cb 0.12 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1s51 h TYR 133 CO 0.01 0.07 0.19 0.00 -1.05 0.00 0.00 178.16 177.38 1s51 h ARG 134 N 0.00 0.68 0.00 4.88 3.08 -1.12 -2.19 114.38 119.71 1s51 h ARG 134 Ca -0.00 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1s51 h ARG 134 Cb 0.31 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1s51 h ARG 134 CO 0.01 0.56 -0.34 0.74 -1.07 0.00 0.00 179.97 179.88 1s51 h PHE 135 N 0.67 0.00 -0.16 3.04 0.04 -1.37 -1.77 116.94 117.38 1s51 h PHE 135 Ca 0.16 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 1s51 h PHE 135 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1s51 h PHE 135 CO 0.01 0.34 -0.02 0.28 -0.60 0.00 0.00 178.31 178.31 1s51 h VAL 136 N 0.00 1.28 -0.46 -0.55 2.07 -1.21 -0.41 116.25 116.97 1s51 h VAL 136 Ca -0.00 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 1s51 h VAL 136 Cb 1.22 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1s51 h VAL 136 CO 0.04 0.28 0.12 -0.50 0.02 0.00 0.00 177.57 177.53 1s51 h TRP 137 N 0.02 0.75 -0.55 1.57 4.06 -1.47 -2.48 115.95 117.86 1s51 h TRP 137 Ca 0.04 -0.09 0.08 0.00 2.06 0.00 0.00 58.89 60.99 1s51 h TRP 137 Cb 0.44 -0.21 -0.07 0.00 -1.00 0.00 0.00 29.16 28.32 1s51 h TRP 137 CO 0.05 0.69 0.19 2.35 -3.56 0.00 0.00 178.44 178.15 1s51 h TRP 138 N 0.60 0.33 -0.85 0.49 7.01 -1.29 -1.17 115.95 121.07 1s51 h TRP 138 Ca 0.14 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.22 1s51 h TRP 138 Cb 0.30 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.24 1s51 h TRP 138 CO 0.02 0.09 0.53 0.00 -2.79 0.00 0.00 178.44 176.28 1s51 h ALA 139 N 1.38 1.15 -0.24 2.65 0.00 -0.84 -1.06 119.26 122.29 1s51 h ALA 139 Ca 0.27 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 1s51 h ALA 139 Cb 0.32 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1s51 h ALA 139 CO -0.28 0.30 -0.61 0.82 0.00 0.00 0.00 179.25 179.48 1s51 h ILE 140 N 0.99 1.28 -0.68 0.00 2.04 -0.94 -2.48 117.51 117.73 1s51 h ILE 140 Ca 0.36 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.42 1s51 h ILE 140 Cb 0.12 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1s51 h ILE 140 CO -0.15 0.58 0.42 -1.28 0.00 0.00 0.00 178.15 177.72 1s51 h SER 141 N 0.61 0.80 -0.13 1.72 0.87 -1.03 -1.48 113.55 114.91 1s51 h SER 141 Ca -0.00 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 1s51 h SER 141 Cb 1.22 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1s51 h SER 141 CO 0.13 0.61 -0.17 0.74 -0.53 0.00 0.00 176.83 177.61 1s51 h THR 142 N 0.92 1.25 -0.06 2.23 2.02 -1.15 -1.77 112.91 116.35 1s51 h THR 142 Ca 0.24 -1.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 1s51 h THR 142 Cb -0.06 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1s51 h THR 142 CO -0.05 0.36 -0.38 0.00 0.37 0.00 0.00 175.52 175.82 1s51 h ALA 143 N 1.35 1.26 -0.32 6.16 0.00 -0.95 0.96 119.26 127.72 1s51 h ALA 143 Ca 0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1s51 h ALA 143 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1s51 h ALA 143 CO 0.04 0.53 -0.12 0.00 0.00 0.00 0.00 179.25 179.69 1s51 h ALA 144 N 1.51 0.45 -0.47 0.00 0.00 -0.83 -1.78 119.26 118.14 1s51 h ALA 144 Ca 0.01 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1s51 h ALA 144 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1s51 h ALA 144 CO 0.05 0.32 -0.02 1.98 0.00 0.00 0.00 179.25 181.59 1s51 h MET 145 N 0.42 0.79 -0.14 0.00 -1.53 -0.79 -1.98 114.93 111.71 1s51 h MET 145 Ca 0.08 -0.22 -0.10 0.00 -3.44 0.00 0.00 59.70 56.02 1s51 h MET 145 Cb 0.64 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.58 1s51 h MET 145 CO 0.04 0.81 -0.36 -0.07 0.14 0.00 0.00 176.91 177.47 1s51 h LEU 146 N 0.74 0.30 0.11 3.39 3.38 -0.71 -1.16 115.31 121.36 1s51 h LEU 146 Ca 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1s51 h LEU 146 Cb 0.47 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1s51 h LEU 146 CO 0.02 0.64 -0.05 0.22 0.09 0.00 0.00 178.44 179.36 1s51 h TYR 147 N 0.25 -0.14 -0.55 1.13 3.20 -0.62 -0.89 116.97 119.35 1s51 h TYR 147 Ca 0.03 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1s51 h TYR 147 Cb 0.76 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 1s51 h TYR 147 CO 0.02 0.01 0.29 0.82 -1.64 0.00 0.00 178.16 177.66 1s51 h ILE 148 N -0.26 0.98 -0.28 1.81 2.04 -1.23 -0.82 117.51 119.74 1s51 h ILE 148 Ca -0.02 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 1s51 h ILE 148 Cb 0.21 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1s51 h ILE 148 CO 0.03 0.10 -0.29 -0.07 0.00 0.00 0.00 178.15 177.92 1s51 h LEU 149 N 0.57 0.58 0.33 1.44 3.38 -1.13 -0.15 115.31 120.33 1s51 h LEU 149 Ca 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1s51 h LEU 149 Cb 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1s51 h LEU 149 CO -0.15 0.85 -0.16 0.22 0.09 0.00 0.00 178.44 179.29 1s51 h TYR 150 N 0.49 -0.42 -0.59 1.13 3.20 -0.74 -0.69 116.97 119.35 1s51 h TYR 150 Ca 0.06 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.98 1s51 h TYR 150 Cb 0.75 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.11 1s51 h TYR 150 CO 0.03 -0.21 0.30 0.28 -1.64 0.00 0.00 178.16 176.93 1s51 h VAL 151 N -0.53 0.93 -0.51 1.81 2.07 -0.94 0.49 116.25 119.59 1s51 h VAL 151 Ca -0.05 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1s51 h VAL 151 Cb 0.39 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1s51 h VAL 151 CO 0.08 0.10 0.23 -0.07 0.02 0.00 0.00 177.57 177.93 1s51 h LEU 152 N 0.57 0.64 0.03 2.57 4.07 -0.81 0.19 115.31 122.57 1s51 h LEU 152 Ca 0.27 -0.06 -0.17 0.00 0.08 0.00 0.00 57.88 58.00 1s51 h LEU 152 Cb 0.20 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1s51 h LEU 152 CO -0.19 0.56 -0.87 0.15 -1.08 0.00 0.00 178.44 177.01 1s51 h PHE 153 N 0.72 0.13 0.03 1.13 3.04 -0.60 -3.17 116.94 118.22 1s51 h PHE 153 Ca 0.18 -0.10 -0.22 0.00 3.98 0.00 0.00 57.97 61.81 1s51 h PHE 153 Cb 0.10 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 1s51 h PHE 153 CO 0.01 1.34 -1.19 0.74 -2.02 0.00 0.00 178.31 177.19 1s51 h PHE 154 N -0.80 0.10 0.00 0.41 0.04 -0.07 -3.37 116.94 113.26 1s51 h PHE 154 Ca -0.22 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1s51 h PHE 154 Cb 1.34 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.48 1s51 h PHE 154 CO 0.17 1.47 0.00 0.41 -0.60 0.00 0.00 178.31 179.75 1s51 n GLY 155 N 1.55 -1.47 0.37 -1.45 0.00 0.60 -3.65 105.19 101.14 1s51 n GLY 155 Ca -0.28 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1s51 n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s51 n PHE 156 N -0.42 -0.25 -0.32 1.61 3.01 -0.86 -0.18 117.46 120.06 1s51 n PHE 156 Ca 0.00 1.14 0.19 0.00 1.01 0.00 0.00 57.45 59.79 1s51 n PHE 156 Cb 0.00 -0.67 0.39 0.00 -0.01 0.00 0.00 39.48 39.19 1s51 n PHE 156 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1s51 h THR 157 N 0.00 0.38 -0.15 4.37 2.02 -1.71 0.55 112.91 118.37 1s51 h THR 157 Ca 0.21 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1s51 h THR 157 Cb 0.44 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1s51 h THR 157 CO -0.88 0.07 0.09 -1.28 0.37 0.00 0.00 175.52 173.88 1s51 h SER 158 N 0.36 0.18 0.22 4.18 0.87 -0.63 -2.94 113.55 115.78 1s51 h SER 158 Ca 0.65 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 61.08 1s51 h SER 158 Cb 1.36 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 1s51 h SER 158 CO -0.58 0.17 -0.32 0.50 -0.53 0.00 0.00 176.83 176.07 1s51 h LYS 159 N 0.17 0.17 0.00 2.24 3.64 0.20 -1.27 116.57 121.72 1s51 h LYS 159 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1s51 h LYS 159 Cb 0.02 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1s51 h LYS 159 CO -0.01 0.48 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 1s51 n ALA 160 N -2.48 1.81 1.17 5.00 0.00 0.11 -1.32 120.51 124.82 1s51 n ALA 160 Ca -0.01 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1s51 n ALA 160 Cb 0.40 -1.11 0.32 0.00 0.00 0.00 0.00 19.45 19.06 1s51 n ALA 160 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s51 n GLU 161 N -0.87 2.00 -0.00 0.00 -0.58 -0.48 -3.23 120.64 117.47 1s51 n GLU 161 Ca 0.05 -1.46 0.09 0.00 -0.42 0.00 0.00 57.16 55.42 1s51 n GLU 161 Cb 0.02 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.31 1s51 n GLU 161 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1s51 n SER 162 N 0.76 0.91 -4.76 1.62 3.41 -0.43 -4.95 113.62 110.18 1s51 n SER 162 Ca 0.17 -0.93 -0.25 0.00 -0.26 0.00 0.00 58.87 57.60 1s51 n SER 162 Cb 0.47 1.03 0.09 0.00 -0.26 0.00 0.00 64.21 65.54 1s51 n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1s51 s MET 163 N -2.88 1.91 0.35 4.33 -1.94 -1.20 -5.07 119.30 114.80 1s51 s MET 163 Ca 0.07 -0.64 -0.17 0.00 -1.71 0.00 0.00 55.69 53.24 1s51 s MET 163 Cb 0.15 -2.24 -0.10 0.00 2.01 0.00 0.00 34.83 34.65 1s51 s MET 163 CO 0.81 -1.35 0.81 1.03 -0.01 0.00 0.00 175.02 176.31 1s51 s ARG 164 N -5.20 4.11 0.31 2.03 1.81 -1.26 -4.76 118.95 115.98 1s51 s ARG 164 Ca 0.63 0.84 0.07 0.00 -1.72 0.00 0.00 55.73 55.55 1s51 s ARG 164 Cb -0.08 -2.40 0.87 0.00 -0.45 0.00 0.00 34.95 32.89 1s51 s ARG 164 CO 0.44 0.12 1.66 -1.00 -0.68 0.00 0.00 175.30 175.85 1s51 h PRO 165 N 2.26 0.28 -0.68 3.54 0.13 -1.97 0.36 132.00 135.92 1s51 h PRO 165 Ca -0.48 -0.02 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 1s51 h PRO 165 Cb 1.18 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 1s51 h PRO 165 CO 0.64 0.18 0.35 1.49 -0.23 0.00 0.00 178.00 180.43 1s51 h GLU 166 N 0.28 0.60 -0.13 0.86 4.57 -1.98 1.73 114.58 120.52 1s51 h GLU 166 Ca 0.63 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 58.62 1s51 h GLU 166 Cb 1.33 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1s51 h GLU 166 CO -0.62 0.40 -0.52 0.28 -1.18 0.00 0.00 179.01 177.36 1s51 h VAL 167 N 0.62 1.34 -0.52 0.32 2.07 -0.84 -1.89 116.25 117.35 1s51 h VAL 167 Ca 0.32 -1.81 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 1s51 h VAL 167 Cb 0.29 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1s51 h VAL 167 CO -0.23 0.55 -0.08 0.00 0.02 0.00 0.00 177.57 177.83 1s51 h ALA 168 N 0.51 0.88 0.00 1.67 0.00 -0.06 -1.66 119.26 120.60 1s51 h ALA 168 Ca -0.03 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1s51 h ALA 168 Cb 1.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1s51 h ALA 168 CO 0.11 0.65 -0.48 0.66 0.00 0.00 0.00 179.25 180.19 1s51 h SER 169 N 0.86 0.00 -0.08 0.00 4.64 0.26 -1.91 113.55 117.32 1s51 h SER 169 Ca 0.14 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.24 1s51 h SER 169 Cb 0.61 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1s51 h SER 169 CO 0.04 0.48 -0.80 0.74 -0.87 0.00 0.00 176.83 176.41 1s51 h THR 170 N 0.00 1.29 -0.70 2.95 2.02 -1.13 -3.09 112.91 114.25 1s51 h THR 170 Ca -0.00 -2.03 -0.07 0.00 0.77 0.00 0.00 66.41 65.08 1s51 h THR 170 Cb 0.96 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 1s51 h THR 170 CO 0.06 0.64 0.16 0.15 0.37 0.00 0.00 175.52 176.90 1s51 h PHE 171 N 0.49 1.18 -0.40 3.16 3.57 -1.20 -2.23 116.94 121.52 1s51 h PHE 171 Ca -0.06 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.20 1s51 h PHE 171 Cb 1.43 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1s51 h PHE 171 CO 0.08 0.96 -0.13 1.57 -2.23 0.00 0.00 178.31 178.56 1s51 h LYS 172 N 1.06 0.72 -0.16 1.11 -0.00 -1.37 0.30 116.57 118.22 1s51 h LYS 172 Ca 0.22 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.65 60.61 1s51 h LYS 172 Cb 0.38 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 32.55 1s51 h LYS 172 CO 0.00 0.82 0.05 0.28 -0.00 0.00 0.00 179.45 180.60 1s51 h VAL 173 N 0.65 1.19 -0.61 0.07 2.07 -1.44 0.16 116.25 118.34 1s51 h VAL 173 Ca 0.11 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 1s51 h VAL 173 Cb 0.60 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1s51 h VAL 173 CO 0.04 0.18 0.03 -0.07 0.02 0.00 0.00 177.57 177.77 1s51 h LEU 174 N 0.07 1.00 -0.40 2.57 3.38 -1.21 0.69 115.31 121.42 1s51 h LEU 174 Ca 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1s51 h LEU 174 Cb 0.23 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1s51 h LEU 174 CO -0.00 1.04 0.15 -0.09 0.09 0.00 0.00 178.44 179.63 1s51 h ARG 175 N 0.96 0.60 -0.21 1.13 2.43 -0.33 0.17 114.38 119.12 1s51 h ARG 175 Ca 0.18 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1s51 h ARG 175 Cb 0.50 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1s51 h ARG 175 CO 0.02 0.57 0.06 -0.91 -1.51 0.00 0.00 179.97 178.21 1s51 h ASN 176 N 0.49 0.31 -0.77 -3.80 -0.26 -0.39 -0.12 115.58 111.03 1s51 h ASN 176 Ca 0.13 -0.21 0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1s51 h ASN 176 Cb 0.20 -0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.35 1s51 h ASN 176 CO -0.01 0.43 0.51 0.58 -1.06 0.00 0.00 177.43 177.89 1s51 h VAL 177 N 0.17 1.19 -0.30 2.81 2.07 -0.75 -1.46 116.25 119.98 1s51 h VAL 177 Ca 0.07 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1s51 h VAL 177 Cb 0.24 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1s51 h VAL 177 CO -0.00 0.19 -0.03 0.74 0.02 0.00 0.00 177.57 178.49 1s51 h THR 178 N 1.04 1.27 -0.55 2.57 2.02 -0.60 0.04 112.91 118.70 1s51 h THR 178 Ca 0.28 -1.01 -0.09 0.00 0.77 0.00 0.00 66.41 66.36 1s51 h THR 178 Cb -0.11 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1s51 h THR 178 CO -0.06 0.32 -0.01 0.58 0.37 0.00 0.00 175.52 176.73 1s51 h VAL 179 N 0.32 1.26 0.13 3.16 2.07 -0.82 -0.76 116.25 121.62 1s51 h VAL 179 Ca 0.08 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1s51 h VAL 179 Cb 0.49 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1s51 h VAL 179 CO 0.02 0.40 -0.06 0.58 0.02 0.00 0.00 177.57 178.53 1s51 h VAL 180 N 0.85 1.03 0.03 2.57 2.07 -1.18 -2.69 116.25 118.94 1s51 h VAL 180 Ca 0.15 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1s51 h VAL 180 Cb 0.54 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1s51 h VAL 180 CO 0.03 0.18 -0.02 -0.07 0.02 0.00 0.00 177.57 177.71 1s51 h LEU 181 N -0.54 -0.04 -1.20 2.57 3.38 -0.96 -3.13 115.31 115.40 1s51 h LEU 181 Ca -0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1s51 h LEU 181 Cb 0.43 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1s51 h LEU 181 CO 0.03 0.06 0.19 -0.50 0.09 0.00 0.00 178.44 178.31 1s51 h TRP 182 N -0.13 0.75 -0.81 1.13 4.06 -1.26 -1.80 115.95 117.90 1s51 h TRP 182 Ca -0.00 -0.04 0.12 0.00 2.06 0.00 0.00 58.89 61.03 1s51 h TRP 182 Cb 0.12 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 27.99 1s51 h TRP 182 CO -0.05 0.59 0.53 0.77 -3.56 0.00 0.00 178.44 176.73 1s51 h SER 183 N 0.74 0.58 0.40 -3.49 0.02 -1.42 -2.57 113.55 107.81 1s51 h SER 183 Ca 0.18 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.02 1s51 h SER 183 Cb 0.17 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1s51 h SER 183 CO -0.01 0.32 -0.55 0.00 -1.14 0.00 0.00 176.83 175.45 1s51 h ALA 184 N 1.62 0.99 -0.61 3.77 0.00 -1.30 -3.35 119.26 120.37 1s51 h ALA 184 Ca 0.39 -0.50 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1s51 h ALA 184 Cb 0.64 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1s51 h ALA 184 CO -0.15 0.69 0.25 1.88 0.00 0.00 0.00 179.25 181.92 1s51 h TYR 185 N 0.12 0.44 -0.27 0.00 -1.99 -1.45 -1.87 116.97 111.96 1s51 h TYR 185 Ca -0.00 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 1s51 h TYR 185 Cb 1.00 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.61 1s51 h TYR 185 CO 0.01 0.14 -0.12 -1.00 -0.00 0.00 0.00 178.16 177.20 1s51 h PRO 186 N 0.45 0.45 -0.46 4.88 0.13 -1.74 -1.45 132.00 134.26 1s51 h PRO 186 Ca 0.30 -0.12 -0.12 0.00 -0.87 0.00 0.00 66.00 65.19 1s51 h PRO 186 Cb 0.34 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 1s51 h PRO 186 CO -0.28 0.57 -0.19 0.28 -0.23 0.00 0.00 178.00 178.15 1s51 h VAL 187 N 0.42 1.27 -0.58 1.56 2.07 -1.63 -1.35 116.25 118.01 1s51 h VAL 187 Ca 0.08 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1s51 h VAL 187 Cb 0.46 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1s51 h VAL 187 CO 0.03 0.46 0.32 0.58 0.02 0.00 0.00 177.57 178.97 1s51 h VAL 188 N 0.79 1.19 -0.28 2.57 2.07 -0.89 -2.35 116.25 119.34 1s51 h VAL 188 Ca 0.11 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1s51 h VAL 188 Cb 0.76 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1s51 h VAL 188 CO 0.06 0.21 0.15 -0.25 0.02 0.00 0.00 177.57 177.76 1s51 h TRP 189 N 0.79 0.39 -0.66 1.57 7.01 -1.20 -1.30 115.95 122.54 1s51 h TRP 189 Ca 0.20 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.21 1s51 h TRP 189 Cb 0.05 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 1s51 h TRP 189 CO -0.01 0.32 0.43 1.25 -2.79 0.00 0.00 178.44 177.64 1s51 h LEU 190 N 0.34 0.72 -0.90 0.65 5.85 -0.86 -2.14 115.31 118.97 1s51 h LEU 190 Ca 0.10 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1s51 h LEU 190 Cb 0.06 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1s51 h LEU 190 CO -0.02 0.51 -0.32 2.30 -0.34 0.00 0.00 178.44 180.58 1s51 n ILE 191 N -4.65 0.00 -1.74 4.05 -5.35 -0.92 0.11 119.36 110.86 1s51 n ILE 191 Ca 0.06 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1s51 n ILE 191 Cb 0.04 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1s51 n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s51 n GLY 192 N 1.37 1.75 0.38 3.28 0.00 -0.49 0.29 105.19 111.77 1s51 n GLY 192 Ca 0.12 -1.99 0.16 0.00 0.00 0.00 0.00 46.02 44.30 1s51 n GLY 192 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s51 h SER 193 N 0.00 0.46 1.71 1.61 0.02 -1.79 0.34 113.55 115.90 1s51 h SER 193 Ca 0.00 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1s51 h SER 193 Cb 0.00 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1s51 h SER 193 CO 0.00 0.22 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.29 1s51 h GLU 194 N 0.48 0.00 0.00 3.45 3.07 -1.89 -3.43 114.58 116.25 1s51 h GLU 194 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1s51 h GLU 194 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1s51 h GLU 194 CO -0.16 0.08 0.00 0.41 -1.40 0.00 0.00 179.01 177.94 1s51 n GLY 195 N 1.14 1.30 0.15 -3.84 0.00 -0.78 -4.90 105.19 98.25 1s51 n GLY 195 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1s51 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s51 n ALA 196 N -3.00 0.97 -2.06 4.61 0.00 0.31 -4.83 120.51 116.51 1s51 n ALA 196 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 1s51 n ALA 196 Cb 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1s51 n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s51 n GLY 197 N -1.31 0.33 0.07 0.00 0.00 0.11 -4.91 105.19 99.49 1s51 n GLY 197 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1s51 n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s51 h ILE 198 N 0.00 1.41 -3.38 -0.61 2.04 -0.73 -3.44 117.51 112.80 1s51 h ILE 198 Ca -0.39 -1.97 -0.58 0.00 1.00 0.00 0.00 64.86 62.91 1s51 h ILE 198 Cb 1.25 2.63 -0.08 0.00 -0.74 0.00 0.00 36.82 39.88 1s51 h ILE 198 CO 0.50 0.46 0.12 -0.69 0.00 0.00 0.00 178.15 178.54 1s51 s VAL 199 N -2.32 5.02 0.82 1.67 1.01 0.15 -4.99 120.40 121.75 1s51 s VAL 199 Ca -0.15 1.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 1s51 s VAL 199 Cb -0.02 -3.97 0.09 0.00 0.00 0.00 0.00 36.38 32.47 1s51 s VAL 199 CO 0.56 0.15 1.14 -2.16 0.00 0.00 0.00 175.10 174.79 1s51 s PRO 200 N 1.60 1.74 0.27 2.72 0.04 -1.26 -3.83 135.00 136.28 1s51 s PRO 200 Ca 0.31 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 1s51 s PRO 200 Cb -0.16 -1.82 0.55 0.00 0.04 0.00 0.00 34.50 33.12 1s51 s PRO 200 CO 0.12 -2.07 1.75 1.25 0.04 0.00 0.00 177.00 178.09 1s51 h LEU 201 N -1.23 0.50 -0.28 -3.56 5.85 -1.96 0.56 115.31 115.19 1s51 h LEU 201 Ca -0.44 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1s51 h LEU 201 Cb 1.26 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1s51 h LEU 201 CO 0.47 0.19 0.15 -0.55 -0.34 0.00 0.00 178.44 178.36 1s51 h ASN 202 N 0.59 0.36 -0.40 1.25 -1.07 -1.91 0.67 115.58 115.07 1s51 h ASN 202 Ca 0.47 -0.10 -0.13 0.00 0.07 0.00 0.00 56.30 56.62 1s51 h ASN 202 Cb 0.70 -0.09 -0.01 0.00 -2.07 0.00 0.00 38.32 36.85 1s51 h ASN 202 CO -0.38 0.35 -0.24 0.40 0.07 0.00 0.00 177.43 177.63 1s51 h ILE 203 N 0.33 1.28 -0.68 6.14 2.04 -1.81 -2.45 117.51 122.37 1s51 h ILE 203 Ca 0.10 -1.39 0.02 0.00 1.00 0.00 0.00 64.86 64.58 1s51 h ILE 203 Cb 0.08 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1s51 h ILE 203 CO -0.01 0.47 0.45 -0.08 0.00 0.00 0.00 178.15 178.97 1s51 h GLU 204 N 0.69 0.85 -0.31 2.37 4.81 0.54 -1.62 114.58 121.90 1s51 h GLU 204 Ca 0.08 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 1s51 h GLU 204 Cb 0.81 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1s51 h GLU 204 CO 0.07 0.56 -0.43 1.15 -0.73 0.00 0.00 179.01 179.62 1s51 h THR 205 N 0.87 1.29 -0.50 0.32 2.02 0.52 -2.51 112.91 114.92 1s51 h THR 205 Ca 0.26 -1.62 0.02 0.00 0.77 0.00 0.00 66.41 65.84 1s51 h THR 205 Cb -0.03 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1s51 h THR 205 CO -0.06 0.53 0.31 0.25 0.37 0.00 0.00 175.52 176.91 1s51 h LEU 206 N 0.62 0.51 -0.24 2.58 5.85 -0.85 0.93 115.31 124.71 1s51 h LEU 206 Ca 0.04 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1s51 h LEU 206 Cb 1.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1s51 h LEU 206 CO 0.10 0.36 0.07 -0.07 -0.34 0.00 0.00 178.44 178.56 1s51 h LEU 207 N 0.62 0.36 -0.95 2.25 3.38 -1.26 -1.60 115.31 118.11 1s51 h LEU 207 Ca 0.20 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1s51 h LEU 207 Cb -0.01 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1s51 h LEU 207 CO -0.08 0.48 0.45 -0.26 0.09 0.00 0.00 178.44 179.12 1s51 h PHE 208 N 0.22 1.18 -0.47 1.13 0.04 -1.33 -1.05 116.94 116.66 1s51 h PHE 208 Ca 0.08 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 1s51 h PHE 208 Cb 0.25 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 1s51 h PHE 208 CO 0.01 0.83 0.16 1.98 -0.60 0.00 0.00 178.31 180.68 1s51 h MET 209 N 1.20 0.73 -0.73 1.51 1.85 -0.63 0.94 114.93 119.80 1s51 h MET 209 Ca 0.30 -0.15 -0.07 0.00 -0.61 0.00 0.00 59.70 59.17 1s51 h MET 209 Cb 0.05 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.94 1s51 h MET 209 CO -0.05 0.68 0.20 0.28 -0.40 0.00 0.00 176.91 177.62 1s51 h VAL 210 N 0.63 1.26 -0.19 -5.77 2.07 -1.10 -0.84 116.25 112.32 1s51 h VAL 210 Ca 0.15 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 1s51 h VAL 210 Cb 0.25 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1s51 h VAL 210 CO -0.01 0.37 -0.27 -0.07 0.02 0.00 0.00 177.57 177.61 1s51 h LEU 211 N 1.09 0.57 -0.07 2.57 3.38 -1.02 -2.20 115.31 119.64 1s51 h LEU 211 Ca 0.23 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1s51 h LEU 211 Cb 0.35 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1s51 h LEU 211 CO -0.00 0.98 0.03 0.44 0.09 0.00 0.00 178.44 179.98 1s51 h ASP 212 N 0.19 0.09 -0.23 -0.43 3.32 -0.67 0.18 116.42 118.87 1s51 h ASP 212 Ca 0.02 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1s51 h ASP 212 Cb 0.85 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1s51 h ASP 212 CO 0.06 0.19 0.13 0.58 -1.72 0.00 0.00 179.24 178.49 1s51 h VAL 213 N -0.02 1.10 -0.51 -1.35 2.07 -1.24 -1.35 116.25 114.95 1s51 h VAL 213 Ca 0.02 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1s51 h VAL 213 Cb 0.13 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1s51 h VAL 213 CO -0.00 0.10 0.33 0.28 0.02 0.00 0.00 177.57 178.30 1s51 h SER 214 N 0.28 0.56 1.04 0.57 0.02 -1.27 0.29 113.55 115.04 1s51 h SER 214 Ca 0.08 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1s51 h SER 214 Cb 0.04 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1s51 h SER 214 CO -0.01 0.40 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 1s51 h ALA 215 N 1.20 1.00 0.00 3.77 0.00 -0.77 -1.03 119.26 123.42 1s51 h ALA 215 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1s51 h ALA 215 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1s51 h ALA 215 CO -0.06 0.00 -0.46 1.63 0.00 0.00 0.00 179.25 180.36 1s51 n LYS 216 N -2.55 0.25 0.13 0.00 5.02 -0.52 -4.34 118.16 116.14 1s51 n LYS 216 Ca 0.02 0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 56.20 1s51 n LYS 216 Cb 0.31 -0.91 -0.15 0.00 -0.02 0.00 0.00 35.03 34.26 1s51 n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1s51 h VAL 217 N -0.46 1.37 0.87 -0.18 2.07 -1.16 0.12 116.25 118.89 1s51 h VAL 217 Ca 0.00 -2.84 -0.04 0.00 0.82 0.00 0.00 66.70 64.63 1s51 h VAL 217 Cb 0.46 3.00 0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1s51 h VAL 217 CO 0.00 0.84 -0.42 1.23 0.02 0.00 0.00 177.57 179.24 1s51 h GLY 218 N 0.74 -1.22 0.17 2.17 0.00 -0.85 -0.82 103.07 103.26 1s51 h GLY 218 Ca -0.21 0.45 0.08 0.00 0.00 0.00 0.00 47.33 47.66 1s51 h GLY 218 CO 0.25 -0.44 -0.11 -2.75 0.00 0.00 0.00 176.54 173.48 1s51 h PHE 219 N -1.19 -0.24 -0.43 5.60 3.04 -1.30 -2.53 116.94 119.89 1s51 h PHE 219 Ca -0.12 0.04 0.05 0.00 3.98 0.00 0.00 57.97 61.92 1s51 h PHE 219 Cb 0.90 0.17 -0.04 0.00 2.56 0.00 0.00 35.95 39.54 1s51 h PHE 219 CO -0.01 -0.19 0.17 0.78 -2.02 0.00 0.00 178.31 177.05 1s51 h GLY 220 N -0.01 0.56 0.67 2.40 0.00 -0.56 -0.50 103.07 105.63 1s51 h GLY 220 Ca 0.20 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1s51 h GLY 220 CO -0.43 0.05 0.22 1.41 0.00 0.00 0.00 176.54 177.79 1s51 h LEU 221 N 0.35 0.28 -0.05 3.11 3.38 -0.94 0.26 115.31 121.71 1s51 h LEU 221 Ca 0.19 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1s51 h LEU 221 Cb 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1s51 h LEU 221 CO -0.18 0.20 0.02 0.40 0.09 0.00 0.00 178.44 178.97 1s51 h ILE 222 N 0.43 1.15 -0.18 1.22 2.04 -1.23 -1.99 117.51 118.95 1s51 h ILE 222 Ca 0.22 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1s51 h ILE 222 Cb 0.16 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1s51 h ILE 222 CO -0.18 0.12 0.03 0.25 0.00 0.00 0.00 178.15 178.37 1s51 h LEU 223 N -0.10 0.28 -0.43 1.44 5.85 -0.62 -3.25 115.31 118.49 1s51 h LEU 223 Ca 0.02 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1s51 h LEU 223 Cb 0.18 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1s51 h LEU 223 CO -0.00 0.47 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.35 1s51 h LEU 224 N 0.09 0.00 -0.73 2.25 3.38 -0.54 -2.58 115.31 117.18 1s51 h LEU 224 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1s51 h LEU 224 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s51 h LEU 224 CO 0.00 0.16 0.00 -2.11 0.09 0.00 0.00 178.44 176.58 1s51 n ARG 225 N -3.18 1.48 -3.53 1.13 1.85 -0.75 -4.88 116.66 108.79 1s51 n ARG 225 Ca 0.02 -0.72 -0.23 0.00 -1.00 0.00 0.00 57.85 55.93 1s51 n ARG 225 Cb 0.52 -1.37 -0.01 0.00 -1.05 0.00 0.00 32.46 30.55 1s51 n ARG 225 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1s51 s SER 226 N -1.62 6.26 0.04 2.89 1.04 -0.97 -5.00 113.70 116.34 1s51 s SER 226 Ca 0.32 0.30 0.25 0.00 0.48 0.00 0.00 55.95 57.30 1s51 s SER 226 Cb 0.16 -1.92 0.45 0.00 0.10 0.00 0.00 66.02 64.82 1s51 s SER 226 CO 0.26 -0.26 1.38 -2.11 0.98 0.00 0.00 173.24 173.48 1s51 n ARG 227 N -1.69 0.12 0.32 4.02 1.85 -1.26 -4.06 116.66 115.95 1s51 n ARG 227 Ca -0.05 0.03 0.20 0.00 -1.00 0.00 0.00 57.85 57.03 1s51 n ARG 227 Cb 0.57 -1.57 1.02 0.00 -1.05 0.00 0.00 32.46 31.43 1s51 n ARG 227 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s51 h ALA 228 N 2.80 1.02 0.00 2.89 0.00 -1.89 -2.71 119.26 121.37 1s51 h ALA 228 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s51 h ALA 228 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1s51 h ALA 228 CO 0.00 0.01 0.00 -0.84 0.00 0.00 0.00 179.25 178.42 1s51 h ILE 229 N 0.00 0.00 -3.72 0.00 3.07 -1.85 -3.46 117.51 111.55 1s51 h ILE 229 Ca -0.00 -0.41 -0.50 0.00 1.55 0.00 0.00 64.86 65.49 1s51 h ILE 229 Cb 0.19 1.29 -0.00 0.00 -0.27 0.00 0.00 36.82 38.03 1s51 h ILE 229 CO 0.00 0.00 0.43 -0.36 -1.05 0.00 0.00 178.15 177.17 1s51 s PHE 230 N -3.29 3.73 -1.70 0.16 0.40 -1.03 -2.43 117.98 113.83 1s51 s PHE 230 Ca 0.06 1.76 0.00 0.00 -0.60 0.00 0.00 56.93 58.15 1s51 s PHE 230 Cb 0.10 -3.17 0.00 0.00 0.51 0.00 0.00 43.02 40.46 1s51 s PHE 230 CO 0.50 -0.18 0.43 0.41 0.70 0.00 0.00 175.22 177.08