#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1idp s GLU 10 N 0.00 1.32 0.80 -0.67 2.02 -1.26 -4.48 118.70 116.43 1idp s GLU 10 Ca 0.00 -1.54 -0.10 0.00 0.02 0.00 0.00 54.97 53.34 1idp s GLU 10 Cb 0.00 -1.21 0.08 0.00 0.10 0.00 0.00 34.13 33.10 1idp s GLU 10 CO 0.00 0.22 1.10 0.96 0.02 0.00 0.00 175.26 177.56 1idp s ILE 11 N -2.68 3.04 0.56 -1.63 -4.36 -1.26 -4.98 121.20 109.90 1idp s ILE 11 Ca 0.21 0.34 -0.00 0.00 -0.26 0.00 0.00 60.65 60.93 1idp s ILE 11 Cb -0.02 -2.73 0.03 0.00 1.25 0.00 0.00 42.46 40.99 1idp s ILE 11 CO 0.07 -0.44 0.80 0.42 0.24 0.00 0.00 174.94 176.03 1idp s THR 12 N -2.84 2.86 0.24 8.37 -4.23 -1.26 -4.97 115.64 113.81 1idp s THR 12 Ca 0.63 -0.55 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 1idp s THR 12 Cb -0.18 -3.10 0.18 0.00 1.34 0.00 0.00 72.50 70.73 1idp s THR 12 CO 0.56 -0.08 1.82 0.15 -0.54 0.00 0.00 174.62 176.53 1idp h PHE 13 N 0.01 1.15 -0.74 3.99 3.57 -1.99 -0.88 116.94 122.05 1idp h PHE 13 Ca -0.43 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.08 1idp h PHE 13 Cb 1.29 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 1idp h PHE 13 CO 0.38 0.85 0.41 0.77 -2.23 0.00 0.00 178.31 178.50 1idp h SER 14 N 1.12 0.59 -0.09 0.41 0.02 -2.00 0.18 113.55 113.78 1idp h SER 14 Ca 0.26 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1idp h SER 14 Cb 0.17 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1idp h SER 14 CO -0.03 0.36 0.01 0.44 -1.14 0.00 0.00 176.83 176.47 1idp h ASP 15 N 0.72 -0.01 -0.67 3.07 3.32 -1.72 -2.64 116.42 118.49 1idp h ASP 15 Ca 0.35 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.50 1idp h ASP 15 Cb 0.28 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.79 1idp h ASP 15 CO -0.22 0.01 0.31 0.22 -1.72 0.00 0.00 179.24 177.84 1idp h TYR 16 N 0.04 0.56 -0.63 4.55 3.20 -0.39 0.12 116.97 124.41 1idp h TYR 16 Ca 0.04 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.00 1idp h TYR 16 Cb 0.04 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.10 1idp h TYR 16 CO -0.11 0.19 0.33 -0.07 -1.64 0.00 0.00 178.16 176.86 1idp h LEU 17 N 0.54 0.46 -0.27 2.82 3.38 -0.73 0.54 115.31 122.06 1idp h LEU 17 Ca 0.33 0.04 -0.21 0.00 0.09 0.00 0.00 57.88 58.13 1idp h LEU 17 Cb 0.36 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1idp h LEU 17 CO -0.27 0.30 -0.84 1.23 0.09 0.00 0.00 178.44 178.94 1idp h GLY 18 N 0.60 0.47 0.92 0.83 0.00 -0.96 -1.51 103.07 103.42 1idp h GLY 18 Ca 0.29 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1idp h GLY 18 CO -0.20 0.66 0.12 1.41 0.00 0.00 0.00 176.54 178.53 1idp h LEU 19 N 0.26 0.49 -1.03 3.11 3.38 -0.60 -0.10 115.31 120.82 1idp h LEU 19 Ca -0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1idp h LEU 19 Cb 1.46 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 1idp h LEU 19 CO 0.15 0.54 0.31 0.24 0.09 0.00 0.00 178.44 179.77 1idp h MET 20 N 0.40 1.01 -0.62 1.13 2.86 -0.89 -0.66 114.93 118.16 1idp h MET 20 Ca 0.11 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1idp h MET 20 Cb 0.22 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1idp h MET 20 CO -0.01 0.79 0.39 1.15 1.06 0.00 0.00 176.91 180.30 1idp h THR 21 N 1.00 1.17 0.41 2.22 2.02 -0.99 -0.82 112.91 117.92 1idp h THR 21 Ca 0.24 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1idp h THR 21 Cb 0.14 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1idp h THR 21 CO -0.03 0.17 -0.20 0.00 0.37 0.00 0.00 175.52 175.84 1idp h VAL 23 N -0.58 1.37 -0.29 0.00 3.04 -1.05 -0.39 116.25 118.35 1idp h VAL 23 Ca -0.06 -1.95 -0.05 0.00 -1.01 0.00 0.00 66.70 63.64 1idp h VAL 23 Cb 0.44 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 1idp h VAL 23 CO 0.09 0.55 -0.00 0.22 -1.01 0.00 0.00 177.57 177.42 1idp h TYR 24 N 0.00 0.57 -0.34 3.17 5.03 -1.05 -1.48 116.97 122.86 1idp h TYR 24 Ca -0.01 -0.10 -0.12 0.00 2.58 0.00 0.00 58.73 61.09 1idp h TYR 24 Cb 1.02 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 39.14 1idp h TYR 24 CO 0.00 0.66 -0.26 0.93 -1.32 0.00 0.00 178.16 178.17 1idp h GLU 25 N 0.31 0.69 0.29 1.82 4.39 -0.90 0.67 114.58 121.85 1idp h GLU 25 Ca 0.08 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1idp h GLU 25 Cb 0.44 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1idp h GLU 25 CO 0.02 0.88 -0.37 2.35 -1.16 0.00 0.00 179.01 180.73 1idp h TRP 26 N 0.60 -1.00 -0.43 4.33 7.01 -0.96 -0.35 115.95 125.14 1idp h TRP 26 Ca 0.08 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1idp h TRP 26 Cb 0.76 0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 28.20 1idp h TRP 26 CO 0.04 -0.50 0.24 0.00 -2.79 0.00 0.00 178.44 175.43 1idp h ALA 27 N -0.22 0.56 -0.02 2.65 0.00 -1.08 -1.97 119.26 119.16 1idp h ALA 27 Ca -0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1idp h ALA 27 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1idp h ALA 27 CO -0.11 0.07 -0.59 0.22 0.00 0.00 0.00 179.25 178.84 1idp h ASP 28 N 0.57 0.08 -0.36 0.00 3.58 -0.82 -1.32 116.42 118.15 1idp h ASP 28 Ca 0.15 -0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.46 1idp h ASP 28 Cb 0.04 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1idp h ASP 28 CO -0.03 0.65 -0.18 0.28 -2.88 0.00 0.00 179.24 177.09 1idp h SER 29 N 0.05 0.77 -0.22 2.28 0.02 -0.90 0.56 113.55 116.12 1idp h SER 29 Ca -0.01 -0.41 0.06 0.00 -0.84 0.00 0.00 61.79 60.59 1idp h SER 29 Cb 1.06 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.32 1idp h SER 29 CO 0.08 1.01 -0.18 1.88 -1.14 0.00 0.00 176.83 178.48 1idp h TYR 30 N 0.53 -0.47 -0.12 3.45 -1.99 -1.10 0.15 116.97 117.42 1idp h TYR 30 Ca 0.08 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.68 1idp h TYR 30 Cb 0.72 0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.68 1idp h TYR 30 CO 0.06 -0.26 -0.60 -0.44 -0.00 0.00 0.00 178.16 176.92 1idp h ASP 31 N -0.19 0.46 -0.45 3.88 3.32 -1.05 -2.23 116.42 120.16 1idp h ASP 31 Ca 0.13 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1idp h ASP 31 Cb 0.38 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1idp h ASP 31 CO -0.33 0.95 0.00 -1.54 -1.72 0.00 0.00 179.24 176.60 1idp n SER 32 N -3.91 2.60 -4.15 6.45 3.41 0.17 -4.74 113.62 113.45 1idp n SER 32 Ca -0.03 -1.96 -0.35 0.00 -0.26 0.00 0.00 58.87 56.27 1idp n SER 32 Cb 0.63 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1idp n SER 32 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1idp n LYS 33 N 0.92 -3.70 -3.31 4.33 5.02 0.23 -4.90 118.16 116.75 1idp n LYS 33 Ca 0.17 0.42 -0.47 0.00 -2.02 0.00 0.00 58.31 56.41 1idp n LYS 33 Cb 0.42 -5.18 -0.03 0.00 -0.02 0.00 0.00 35.03 30.23 1idp n LYS 33 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1idp s ASP 34 N -3.32 6.65 0.39 4.39 -1.08 0.27 -4.91 116.67 119.06 1idp s ASP 34 Ca 0.71 -2.49 0.21 0.00 -0.52 0.00 0.00 52.55 50.46 1idp s ASP 34 Cb -0.38 -2.22 0.33 0.00 -1.46 0.00 0.00 42.92 39.19 1idp s ASP 34 CO 0.91 -0.65 1.59 -0.50 0.52 0.00 0.00 175.17 177.03 1idp h TRP 35 N 8.04 0.00 -0.04 -5.34 -0.00 -1.91 -2.14 115.95 114.55 1idp h TRP 35 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 58.89 58.68 1idp h TRP 35 Cb 1.05 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.22 1idp h TRP 35 CO 0.99 0.18 -0.94 -0.44 -0.00 0.00 0.00 178.44 178.23 1idp h ASP 36 N 0.00 0.80 -0.72 -3.49 3.32 -1.98 -2.09 116.42 112.27 1idp h ASP 36 Ca -0.00 -0.61 -0.00 0.00 0.02 0.00 0.00 57.03 56.44 1idp h ASP 36 Cb 1.09 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 1idp h ASP 36 CO 0.02 1.40 0.45 -0.09 -1.72 0.00 0.00 179.24 179.31 1idp h ARG 37 N 0.38 0.97 0.17 3.56 2.43 -1.92 -2.67 114.38 117.30 1idp h ARG 37 Ca -0.09 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1idp h ARG 37 Cb 1.58 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1idp h ARG 37 CO 0.18 0.67 -0.08 1.25 -1.51 0.00 0.00 179.97 180.48 1idp h LEU 38 N 0.99 -0.19 -1.75 3.80 5.85 -1.28 -2.62 115.31 120.10 1idp h LEU 38 Ca 0.26 -0.16 0.34 0.00 0.84 0.00 0.00 57.88 59.16 1idp h LEU 38 Cb -0.06 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 1idp h LEU 38 CO -0.05 0.06 0.83 0.03 -0.34 0.00 0.00 178.44 178.97 1idp h ARG 39 N -0.44 0.12 0.00 1.25 3.08 -1.18 -0.38 114.38 116.83 1idp h ARG 39 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1idp h ARG 39 Cb 0.34 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1idp h ARG 39 CO 0.04 0.08 -0.10 0.87 -1.07 0.00 0.00 179.97 179.79 1idp h LYS 40 N 0.12 0.00 -0.01 0.04 1.57 -1.13 -3.23 116.57 113.94 1idp h LYS 40 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 1idp h LYS 40 Cb 2.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.47 1idp h LYS 40 CO -0.13 0.10 -0.05 1.33 -0.57 0.00 0.00 179.45 180.12 1idp n VAL 41 N -3.26 0.00 -3.57 0.50 0.24 -0.17 -5.03 118.33 107.03 1idp n VAL 41 Ca 0.00 -0.47 -0.32 0.00 -2.04 0.00 0.00 64.34 61.50 1idp n VAL 41 Cb 0.34 1.15 -0.05 0.00 -1.47 0.00 0.00 33.84 33.81 1idp n VAL 41 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1idp s ILE 42 N -0.83 5.07 0.97 1.34 -4.36 -1.07 0.18 121.20 122.50 1idp s ILE 42 Ca 0.09 0.28 -0.12 0.00 -0.26 0.00 0.00 60.65 60.64 1idp s ILE 42 Cb 0.07 -3.63 0.17 0.00 1.25 0.00 0.00 42.46 40.32 1idp s ILE 42 CO 0.13 0.07 1.09 0.00 0.24 0.00 0.00 174.94 176.47 1idp s ALA 43 N -1.64 1.05 0.38 2.27 0.00 0.45 -4.77 121.76 119.49 1idp s ALA 43 Ca 0.41 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.28 1idp s ALA 43 Cb -0.12 -3.18 0.74 0.00 0.00 0.00 0.00 23.12 20.56 1idp s ALA 43 CO 0.22 -2.75 1.93 -1.35 0.00 0.00 0.00 175.76 173.81 1idp h PRO 44 N -1.84 0.40 -5.13 0.00 0.11 -1.94 -3.40 132.00 120.20 1idp h PRO 44 Ca -0.53 -0.07 -0.35 0.00 0.11 0.00 0.00 66.00 65.16 1idp h PRO 44 Cb 1.31 -0.07 -0.16 0.00 0.11 0.00 0.00 31.00 32.19 1idp h PRO 44 CO 0.55 0.43 -0.73 0.95 -0.21 0.00 0.00 178.00 178.99 1idp s THR 45 N -4.98 1.18 -0.02 -1.15 -4.23 -1.26 -0.57 115.64 104.60 1idp s THR 45 Ca -0.07 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1idp s THR 45 Cb 0.16 -1.70 -0.00 0.00 1.34 0.00 0.00 72.50 72.30 1idp s THR 45 CO 0.74 -0.64 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.31 1idp s LEU 46 N -2.90 1.85 -0.54 4.79 1.02 0.10 -4.81 118.68 118.19 1idp s LEU 46 Ca 0.13 -0.21 -0.26 0.00 0.02 0.00 0.00 54.13 53.81 1idp s LEU 46 Cb -0.00 -0.61 0.03 0.00 0.02 0.00 0.00 46.19 45.63 1idp s LEU 46 CO 0.01 0.09 1.02 -0.60 0.02 0.00 0.00 176.35 176.90 1idp s ARG 47 N 0.08 3.45 -0.41 1.70 3.52 -0.30 -0.26 118.95 126.72 1idp s ARG 47 Ca -0.02 0.03 -0.06 0.00 -0.13 0.00 0.00 55.73 55.55 1idp s ARG 47 Cb -0.08 -4.01 0.10 0.00 -1.56 0.00 0.00 34.95 29.40 1idp s ARG 47 CO 0.00 -1.48 0.23 0.42 -0.81 0.00 0.00 175.30 173.67 1idp s ILE 48 N 4.23 3.74 -0.54 4.11 -1.09 0.20 -0.92 121.20 130.93 1idp s ILE 48 Ca 0.37 -1.73 -0.08 0.00 -2.23 0.00 0.00 60.65 56.98 1idp s ILE 48 Cb -0.10 -3.41 0.14 0.00 -1.58 0.00 0.00 42.46 37.50 1idp s ILE 48 CO 0.23 -0.59 0.40 -0.62 -1.23 0.00 0.00 174.94 173.12 1idp s ASP 49 N 2.04 5.67 0.00 3.58 -1.08 -0.39 -1.37 116.67 125.12 1idp s ASP 49 Ca 0.05 -2.22 0.21 0.00 -0.52 0.00 0.00 52.55 50.07 1idp s ASP 49 Cb -0.23 -1.98 0.46 0.00 -1.46 0.00 0.00 42.92 39.71 1idp s ASP 49 CO -0.01 -0.59 1.40 -1.22 0.52 0.00 0.00 175.17 175.26 1idp n TYR 50 N 4.46 0.60 -0.51 -5.34 4.01 -0.35 -3.96 117.16 116.08 1idp n TYR 50 Ca -0.01 -0.33 0.41 0.00 -0.16 0.00 0.00 57.90 57.81 1idp n TYR 50 Cb 0.41 -0.00 0.70 0.00 -0.31 0.00 0.00 39.34 40.14 1idp n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1idp h ARG 51 N 4.09 0.05 -0.35 -0.72 3.08 -1.64 0.44 114.38 119.33 1idp h ARG 51 Ca 0.00 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1idp h ARG 51 Cb 0.94 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1idp h ARG 51 CO 0.00 0.03 -0.06 0.66 -1.07 0.00 0.00 179.97 179.53 1idp h SER 52 N 0.05 0.55 -0.00 7.04 4.64 -1.89 -2.54 113.55 121.41 1idp h SER 52 Ca 0.84 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 1idp h SER 52 Cb 2.88 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 64.83 1idp h SER 52 CO -0.30 0.67 -0.01 2.22 -0.87 0.00 0.00 176.83 178.54 1idp n PHE 53 N -4.22 0.00 -0.71 4.77 1.16 0.13 -4.78 117.46 113.81 1idp n PHE 53 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 1idp n PHE 53 Cb 0.30 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.17 1idp n PHE 53 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1idp n LEU 54 N -0.29 0.07 -3.13 5.98 4.77 0.14 -5.01 117.00 119.52 1idp n LEU 54 Ca 0.00 -0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.70 1idp n LEU 54 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1idp n LEU 54 CO 0.01 0.02 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.36 1idp n ASP 55 N -0.02 -4.29 -4.07 -1.43 4.64 -0.96 -4.91 116.55 105.52 1idp n ASP 55 Ca 0.00 -0.27 -0.25 0.00 -1.38 0.00 0.00 54.79 52.89 1idp n ASP 55 Cb 0.18 -3.54 -0.16 0.00 -1.04 0.00 0.00 41.12 36.56 1idp n ASP 55 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1idp s LYS 56 N -5.78 1.65 -0.05 -0.67 1.02 -1.26 -4.87 119.74 109.77 1idp s LYS 56 Ca 0.31 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.83 1idp s LYS 56 Cb -0.16 -1.40 0.02 0.00 -0.52 0.00 0.00 37.83 35.77 1idp s LYS 56 CO 0.38 0.12 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.72 1idp s LEU 57 N 0.35 1.33 -0.26 3.17 2.96 -1.26 -1.21 118.68 123.76 1idp s LEU 57 Ca -0.09 -0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1idp s LEU 57 Cb -0.13 -0.50 0.01 0.00 0.50 0.00 0.00 46.19 46.07 1idp s LEU 57 CO 0.03 -0.05 0.00 0.26 -1.32 0.00 0.00 176.35 175.27 1idp s TRP 58 N 0.95 3.08 0.20 5.38 0.51 -0.47 -5.00 118.94 123.60 1idp s TRP 58 Ca -0.10 -1.18 0.11 0.00 -2.12 0.00 0.00 56.10 52.81 1idp s TRP 58 Cb -0.14 -2.15 0.28 0.00 -0.81 0.00 0.00 33.47 30.65 1idp s TRP 58 CO 0.00 -0.62 1.56 0.93 -0.51 0.00 0.00 176.95 178.30 1idp h GLU 59 N 8.13 0.00 -1.14 4.98 5.08 -1.85 0.59 114.58 130.36 1idp h GLU 59 Ca -0.34 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.65 1idp h GLU 59 Cb 1.13 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.08 1idp h GLU 59 CO 0.59 0.65 -0.89 0.00 -1.00 0.00 0.00 179.01 178.36 1idp n ALA 60 N -2.38 1.01 -1.88 3.43 0.00 -1.22 -3.67 120.51 115.80 1idp n ALA 60 Ca -0.01 -2.60 -0.42 0.00 0.00 0.00 0.00 53.44 50.42 1idp n ALA 60 Cb 0.67 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1idp n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1idp s MET 61 N -1.37 4.18 0.41 0.00 1.75 0.64 -4.53 119.30 120.37 1idp s MET 61 Ca 0.32 2.39 -0.26 0.00 -1.25 0.00 0.00 55.69 56.88 1idp s MET 61 Cb 0.33 -3.61 -0.10 0.00 2.84 0.00 0.00 34.83 34.30 1idp s MET 61 CO -0.06 -0.76 1.39 -2.30 -0.65 0.00 0.00 175.02 172.64 1idp n PRO 62 N 5.66 2.29 -0.24 4.11 -0.02 -1.26 0.03 135.00 145.57 1idp n PRO 62 Ca 0.16 0.81 0.02 0.00 -2.02 0.00 0.00 63.50 62.47 1idp n PRO 62 Cb 0.40 -2.55 0.10 0.00 -0.02 0.00 0.00 33.50 31.43 1idp n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1idp h ALA 63 N 2.46 0.56 -0.81 3.55 0.00 -1.05 0.12 119.26 124.10 1idp h ALA 63 Ca -0.50 0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1idp h ALA 63 Cb 1.27 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1idp h ALA 63 CO 0.62 -0.42 0.53 0.93 0.00 0.00 0.00 179.25 180.91 1idp h GLU 64 N 0.04 1.01 -0.11 0.00 4.39 -1.91 -0.45 114.58 117.55 1idp h GLU 64 Ca 0.35 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.82 1idp h GLU 64 Cb 0.57 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1idp h GLU 64 CO -0.68 0.67 -0.66 1.49 -1.16 0.00 0.00 179.01 178.67 1idp h GLU 65 N 1.04 0.43 -0.07 2.33 4.81 -1.20 -0.22 114.58 121.71 1idp h GLU 65 Ca 0.31 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1idp h GLU 65 Cb -0.03 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1idp h GLU 65 CO -0.08 0.94 0.04 0.35 -0.73 0.00 0.00 179.01 179.54 1idp h PHE 66 N 0.31 0.10 -0.69 0.92 3.57 -0.45 0.15 116.94 120.85 1idp h PHE 66 Ca -0.02 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1idp h PHE 66 Cb 1.21 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1idp h PHE 66 CO 0.04 0.10 0.29 0.28 -2.23 0.00 0.00 178.31 176.79 1idp h VAL 67 N 0.06 1.24 -0.66 1.41 2.07 -1.02 -0.59 116.25 118.75 1idp h VAL 67 Ca 0.03 -0.74 0.10 0.00 0.82 0.00 0.00 66.70 66.90 1idp h VAL 67 Cb 0.03 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 1idp h VAL 67 CO -0.00 0.30 0.29 1.23 0.02 0.00 0.00 177.57 179.40 1idp h GLY 68 N 0.98 0.97 0.87 2.17 0.00 -0.88 -0.74 103.07 106.44 1idp h GLY 68 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1idp h GLY 68 CO -0.02 0.01 -0.11 1.98 0.00 0.00 0.00 176.54 178.40 1idp h MET 69 N 0.50 -0.29 -0.00 4.80 -1.53 0.07 -2.76 114.93 115.72 1idp h MET 69 Ca 0.33 0.02 -0.11 0.00 -3.44 0.00 0.00 59.70 56.50 1idp h MET 69 Cb 0.39 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.49 1idp h MET 69 CO -0.29 -0.09 -0.53 0.28 0.14 0.00 0.00 176.91 176.41 1idp h VAL 70 N -0.44 1.38 -0.01 -5.77 2.07 -0.98 -2.96 116.25 109.55 1idp h VAL 70 Ca -0.03 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1idp h VAL 70 Cb 0.33 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1idp h VAL 70 CO 0.05 0.52 -0.12 -1.54 0.02 0.00 0.00 177.57 176.50 1idp n SER 71 N -3.91 1.08 -4.77 0.57 3.41 -0.30 -0.48 113.62 109.22 1idp n SER 71 Ca -0.01 -1.09 -0.36 0.00 -0.26 0.00 0.00 58.87 57.15 1idp n SER 71 Cb 0.54 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.54 1idp n SER 71 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1idp s SER 72 N -2.27 5.59 0.64 4.04 1.04 -1.04 -3.38 113.70 118.31 1idp s SER 72 Ca 0.32 2.26 0.39 0.00 0.48 0.00 0.00 55.95 59.40 1idp s SER 72 Cb 0.20 -2.59 2.21 0.00 0.10 0.00 0.00 66.02 65.94 1idp s SER 72 CO 0.43 -1.31 2.33 0.11 0.98 0.00 0.00 173.24 175.78 1idp h LYS 73 N 1.17 0.00 0.00 4.02 1.79 -1.90 0.14 116.57 121.79 1idp h LYS 73 Ca -0.50 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 57.92 1idp h LYS 73 Cb 1.27 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1idp h LYS 73 CO 0.57 0.00 -0.21 1.96 -1.08 0.00 0.00 179.45 180.68 1idp h GLN 74 N 0.00 0.00 0.00 3.15 7.50 -1.92 -3.32 115.11 120.52 1idp h GLN 74 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1idp h GLN 74 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1idp h GLN 74 CO -0.00 0.21 0.00 0.28 -1.50 0.00 0.00 178.83 177.82 1idp n VAL 75 N -3.52 0.00 1.38 -0.54 0.31 0.43 -5.00 118.33 111.39 1idp n VAL 75 Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.46 1idp n VAL 75 Cb 0.37 0.00 0.43 0.00 -0.91 0.00 0.00 33.84 33.73 1idp n VAL 75 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1idp n LEU 76 N 0.00 1.75 -0.01 7.52 4.77 0.37 -3.87 117.00 127.52 1idp n LEU 76 Ca 0.00 -0.58 0.14 0.00 -0.03 0.00 0.00 56.01 55.54 1idp n LEU 76 Cb 0.00 -0.01 0.56 0.00 -2.33 0.00 0.00 43.42 41.64 1idp n LEU 76 CO 0.00 0.29 0.86 0.61 -1.33 0.00 0.00 177.39 177.82 1idp n GLY 77 N 1.22 -1.38 3.64 -0.72 0.00 -0.74 -4.82 105.19 102.40 1idp n GLY 77 Ca 0.17 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1idp n GLY 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1idp s ASP 78 N -2.92 6.24 0.21 1.61 -1.08 -1.25 -4.64 116.67 114.85 1idp s ASP 78 Ca 0.16 2.27 0.21 0.00 -0.52 0.00 0.00 52.55 54.67 1idp s ASP 78 Cb 0.19 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 40.03 1idp s ASP 78 CO 0.55 -1.28 1.64 -0.81 0.52 0.00 0.00 175.17 175.80 1idp n PRO 79 N 7.78 0.15 0.00 4.34 -0.04 -1.26 -1.34 135.00 144.63 1idp n PRO 79 Ca 0.22 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 1idp n PRO 79 Cb 0.43 -1.80 0.47 0.00 -0.04 0.00 0.00 33.50 32.56 1idp n PRO 79 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1idp n THR 80 N -2.09 0.00 -3.60 0.52 -2.24 -1.26 -4.83 114.28 100.78 1idp n THR 80 Ca 0.02 -0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.34 1idp n THR 80 Cb 0.19 0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.55 1idp n THR 80 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1idp s LEU 81 N -2.48 4.22 -0.07 3.22 2.96 -0.45 -1.16 118.68 124.91 1idp s LEU 81 Ca 0.26 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 1idp s LEU 81 Cb 0.20 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1idp s LEU 81 CO 0.50 0.11 -0.13 -0.13 -1.32 0.00 0.00 176.35 175.38 1idp s ARG 82 N 0.52 2.74 0.07 1.98 1.81 0.46 -4.93 118.95 121.59 1idp s ARG 82 Ca 0.13 -0.68 0.01 0.00 -1.72 0.00 0.00 55.73 53.48 1idp s ARG 82 Cb -0.12 -2.46 -0.04 0.00 -0.45 0.00 0.00 34.95 31.88 1idp s ARG 82 CO 0.02 0.53 -0.05 0.95 -0.68 0.00 0.00 175.30 176.07 1idp s THR 83 N -0.49 0.47 -0.11 0.02 -4.23 -1.26 -1.19 115.64 108.86 1idp s THR 83 Ca 0.06 -1.65 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1idp s THR 83 Cb -0.12 -1.31 0.03 0.00 1.34 0.00 0.00 72.50 72.44 1idp s THR 83 CO 0.02 -0.79 -0.03 -1.58 -0.54 0.00 0.00 174.62 171.70 1idp s GLN 84 N -3.24 1.00 -1.21 3.99 0.74 -0.59 -4.78 119.66 115.58 1idp s GLN 84 Ca 0.04 -0.13 -0.13 0.00 0.05 0.00 0.00 55.36 55.19 1idp s GLN 84 Cb 0.02 -1.41 0.18 0.00 1.10 0.00 0.00 33.01 32.91 1idp s GLN 84 CO -0.05 -0.34 1.46 0.72 -0.55 0.00 0.00 175.29 176.53 1idp n HIS 85 N 5.04 4.73 -2.66 1.67 8.25 -1.26 -3.34 115.22 127.65 1idp n HIS 85 Ca -0.10 -3.34 -0.43 0.00 -0.26 0.00 0.00 57.72 53.60 1idp n HIS 85 Cb 0.49 -2.10 -0.02 0.00 1.12 0.00 0.00 29.99 29.48 1idp n HIS 85 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1idp s PHE 86 N 1.10 3.20 -0.24 4.41 5.36 0.15 -4.85 117.98 127.10 1idp s PHE 86 Ca 0.41 1.24 -0.18 0.00 -0.96 0.00 0.00 56.93 57.43 1idp s PHE 86 Cb -0.02 -3.57 -0.03 0.00 -0.34 0.00 0.00 43.02 39.07 1idp s PHE 86 CO -0.00 -0.69 0.53 0.42 -1.46 0.00 0.00 175.22 174.02 1idp s ILE 87 N 3.51 5.07 0.00 3.12 1.01 -1.26 -1.58 121.20 131.07 1idp s ILE 87 Ca 0.44 0.94 0.00 0.00 0.00 0.00 0.00 60.65 62.03 1idp s ILE 87 Cb -0.13 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1idp s ILE 87 CO 0.13 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1idp n GLY 88 N 4.22 1.23 3.76 6.18 0.00 -0.18 -5.02 105.19 115.38 1idp n GLY 88 Ca -0.04 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1idp n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1idp s GLY 89 N 0.00 2.47 -0.04 -0.02 0.00 -1.26 -4.60 107.32 103.87 1idp s GLY 89 Ca 0.00 1.60 0.01 0.00 0.00 0.00 0.00 44.72 46.33 1idp s GLY 89 CO 0.00 2.45 -0.04 -1.59 0.00 0.00 0.00 173.10 173.92 1idp s THR 90 N -0.51 0.48 0.30 0.90 2.01 -1.26 -1.06 115.64 116.50 1idp s THR 90 Ca 0.59 -0.09 0.10 0.00 0.31 0.00 0.00 61.69 62.60 1idp s THR 90 Cb -0.48 -0.51 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 1idp s THR 90 CO 0.55 0.21 -0.14 0.00 -0.69 0.00 0.00 174.62 174.56 1idp s ARG 91 N 0.93 1.68 0.12 4.92 1.70 -0.76 -4.99 118.95 122.56 1idp s ARG 91 Ca -0.11 -1.82 0.06 0.00 -0.47 0.00 0.00 55.73 53.40 1idp s ARG 91 Cb -0.14 -1.61 -0.04 0.00 -0.57 0.00 0.00 34.95 32.59 1idp s ARG 91 CO -0.00 0.21 -0.16 -1.58 -1.08 0.00 0.00 175.30 172.70 1idp s TRP 92 N -2.65 1.49 -0.04 5.89 0.52 -1.26 -0.97 118.94 121.92 1idp s TRP 92 Ca 0.30 -0.51 -0.01 0.00 0.02 0.00 0.00 56.10 55.90 1idp s TRP 92 Cb -0.01 -0.78 0.03 0.00 -1.15 0.00 0.00 33.47 31.56 1idp s TRP 92 CO 0.14 0.17 0.03 -1.21 0.02 0.00 0.00 176.95 176.10 1idp s GLU 93 N -2.50 0.19 -0.21 4.98 2.02 -0.56 -5.01 118.70 117.61 1idp s GLU 93 Ca 0.08 0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.99 1idp s GLU 93 Cb -0.06 -0.56 -0.00 0.00 0.10 0.00 0.00 34.13 33.60 1idp s GLU 93 CO 0.04 -0.24 1.17 0.21 0.02 0.00 0.00 175.26 176.45 1idp s LYS 94 N 1.63 4.22 -0.15 1.61 2.20 -1.26 -1.16 119.74 126.83 1idp s LYS 94 Ca -0.01 1.49 -0.10 0.00 -0.36 0.00 0.00 55.97 56.98 1idp s LYS 94 Cb -0.13 -3.72 -0.24 0.00 -1.51 0.00 0.00 37.83 32.24 1idp s LYS 94 CO -0.03 -0.71 0.29 0.28 -0.36 0.00 0.00 175.35 174.82 1idp n VAL 95 N 5.42 1.71 -3.52 4.02 0.31 0.32 -4.97 118.33 121.62 1idp n VAL 95 Ca 0.13 -0.49 -0.05 0.00 -0.01 0.00 0.00 64.34 63.92 1idp n VAL 95 Cb 0.45 -1.80 0.01 0.00 -0.91 0.00 0.00 33.84 31.59 1idp n VAL 95 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1idp n SER 96 N -3.73 -1.05 0.30 4.52 3.41 -0.75 -4.96 113.62 111.36 1idp n SER 96 Ca -0.33 -1.87 0.17 0.00 -0.26 0.00 0.00 58.87 56.58 1idp n SER 96 Cb 0.95 1.79 0.94 0.00 -0.26 0.00 0.00 64.21 67.63 1idp n SER 96 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1idp h GLU 97 N 0.00 0.00 0.00 4.33 4.39 -2.03 -3.07 114.58 118.20 1idp h GLU 97 Ca -0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1idp h GLU 97 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1idp h GLU 97 CO 0.21 0.03 -0.03 -0.40 -1.16 0.00 0.00 179.01 177.66 1idp n ASP 98 N -3.50 1.37 -3.90 1.42 5.75 -1.26 -4.91 116.55 111.52 1idp n ASP 98 Ca -0.02 -1.88 -0.19 0.00 -0.01 0.00 0.00 54.79 52.69 1idp n ASP 98 Cb 0.14 -0.07 -0.16 0.00 -1.03 0.00 0.00 41.12 40.00 1idp n ASP 98 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1idp s GLU 99 N -0.92 0.75 0.01 0.11 2.12 -1.16 -0.64 118.70 118.98 1idp s GLU 99 Ca 0.04 -0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.29 1idp s GLU 99 Cb 0.04 -0.76 -0.01 0.00 0.26 0.00 0.00 34.13 33.65 1idp s GLU 99 CO 0.00 -0.05 -0.09 0.08 -0.54 0.00 0.00 175.26 174.67 1idp s VAL 100 N 0.76 0.66 -0.12 3.70 1.01 -0.41 -0.52 120.40 125.48 1idp s VAL 100 Ca -0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1idp s VAL 100 Cb -0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1idp s VAL 100 CO 0.00 0.05 0.01 0.27 0.00 0.00 0.00 175.10 175.43 1idp s ILE 101 N -0.47 4.32 -0.14 2.22 -4.36 -0.30 -0.32 121.20 122.14 1idp s ILE 101 Ca 0.01 -0.23 -0.02 0.00 -0.26 0.00 0.00 60.65 60.15 1idp s ILE 101 Cb -0.05 -2.86 -0.02 0.00 1.25 0.00 0.00 42.46 40.78 1idp s ILE 101 CO 0.00 0.55 -0.07 -0.83 0.24 0.00 0.00 174.94 174.83 1idp s GLY 102 N -0.38 1.65 -0.35 6.27 0.00 -0.36 -1.50 107.32 112.65 1idp s GLY 102 Ca 0.07 -0.85 -0.17 0.00 0.00 0.00 0.00 44.72 43.78 1idp s GLY 102 CO 0.02 -0.14 0.44 -0.19 0.00 0.00 0.00 173.10 173.24 1idp s TYR 103 N 0.31 3.19 -0.14 1.90 2.02 -0.15 -0.74 117.35 123.76 1idp s TYR 103 Ca -0.06 0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 1idp s TYR 103 Cb -0.15 -2.81 0.01 0.00 -0.40 0.00 0.00 41.96 38.62 1idp s TYR 103 CO 0.04 -0.49 -0.21 -1.01 -1.57 0.00 0.00 175.55 172.31 1idp s HIS 104 N 2.22 2.60 0.25 2.71 3.76 0.09 -1.82 115.29 125.10 1idp s HIS 104 Ca 0.16 -1.30 -0.31 0.00 -0.15 0.00 0.00 55.06 53.45 1idp s HIS 104 Cb -0.16 -1.78 -0.12 0.00 1.11 0.00 0.00 32.58 31.64 1idp s HIS 104 CO 0.12 -0.60 1.67 -0.65 -0.85 0.00 0.00 174.74 174.44 1idp s GLN 105 N 0.82 4.11 -0.06 1.40 -0.21 -0.22 -0.63 119.66 124.87 1idp s GLN 105 Ca -0.07 2.61 0.01 0.00 0.02 0.00 0.00 55.36 57.94 1idp s GLN 105 Cb -0.16 -3.04 0.02 0.00 1.00 0.00 0.00 33.01 30.83 1idp s GLN 105 CO -0.02 -0.71 -0.08 -1.17 -2.12 0.00 0.00 175.29 171.19 1idp s LEU 106 N 0.37 1.45 -0.10 2.90 2.96 -0.41 -1.01 118.68 124.84 1idp s LEU 106 Ca 0.70 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1idp s LEU 106 Cb -0.49 -0.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.56 1idp s LEU 106 CO 0.40 -0.02 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.57 1idp s ARG 107 N 0.86 3.05 -0.68 1.98 3.52 -0.61 -1.05 118.95 126.02 1idp s ARG 107 Ca -0.12 -0.88 0.03 0.00 -0.13 0.00 0.00 55.73 54.64 1idp s ARG 107 Cb -0.15 -2.30 0.17 0.00 -1.56 0.00 0.00 34.95 31.10 1idp s ARG 107 CO 0.01 0.18 0.47 0.08 -0.81 0.00 0.00 175.30 175.23 1idp s VAL 108 N 0.34 3.08 0.33 7.11 1.01 0.07 -0.67 120.40 131.66 1idp s VAL 108 Ca -0.19 -3.89 -0.29 0.00 0.00 0.00 0.00 61.98 57.61 1idp s VAL 108 Cb -0.18 -3.03 -0.12 0.00 0.00 0.00 0.00 36.38 33.05 1idp s VAL 108 CO 0.09 -0.95 1.38 -0.81 0.00 0.00 0.00 175.10 174.80 1idp n PRO 109 N 2.41 2.29 -3.94 2.72 -0.04 -1.21 -1.95 135.00 135.27 1idp n PRO 109 Ca 0.15 0.80 -0.10 0.00 -0.04 0.00 0.00 63.50 64.32 1idp n PRO 109 Cb 0.35 -2.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.30 1idp n PRO 109 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1idp s HIS 110 N -0.83 0.33 -0.22 0.54 -3.43 -0.34 -1.53 115.29 109.81 1idp s HIS 110 Ca 0.58 -0.68 -0.16 0.00 -0.80 0.00 0.00 55.06 54.00 1idp s HIS 110 Cb -0.55 0.08 0.06 0.00 -1.43 0.00 0.00 32.58 30.73 1idp s HIS 110 CO 0.59 -0.84 0.55 -1.14 -2.00 0.00 0.00 174.74 171.91 1idp s GLN 111 N -3.98 0.59 -0.09 -0.38 0.74 -0.33 -1.52 119.66 114.70 1idp s GLN 111 Ca 0.18 0.91 0.03 0.00 0.05 0.00 0.00 55.36 56.53 1idp s GLN 111 Cb 0.01 0.17 -0.01 0.00 1.10 0.00 0.00 33.01 34.28 1idp s GLN 111 CO 0.03 -0.12 -0.18 1.03 -0.55 0.00 0.00 175.29 175.50 1idp s ARG 112 N 0.99 2.92 0.23 1.67 0.52 0.13 -0.40 118.95 125.01 1idp s ARG 112 Ca -0.06 -0.77 -0.04 0.00 -0.52 0.00 0.00 55.73 54.35 1idp s ARG 112 Cb -0.06 -2.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.95 1idp s ARG 112 CO -0.09 0.35 0.47 0.71 0.02 0.00 0.00 175.30 176.77 1idp s TYR 113 N -0.05 3.47 0.31 -0.53 1.51 -0.31 0.46 117.35 122.21 1idp s TYR 113 Ca -0.05 0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 56.56 1idp s TYR 113 Cb -0.14 -2.02 0.48 0.00 -0.11 0.00 0.00 41.96 40.16 1idp s TYR 113 CO 0.04 0.29 1.97 1.57 -1.11 0.00 0.00 175.55 178.31 1idp h LYS 114 N 2.06 1.02 0.00 -0.62 5.09 -0.60 -3.43 116.57 120.09 1idp h LYS 114 Ca -0.47 -0.07 -0.13 0.00 0.09 0.00 0.00 60.65 60.07 1idp h LYS 114 Cb 1.18 -0.23 -0.02 0.00 0.10 0.00 0.00 32.23 33.26 1idp h LYS 114 CO 0.68 0.69 0.04 -0.40 -2.09 0.00 0.00 179.45 178.37 1idp n ASP 115 N -4.41 -1.40 0.00 7.07 3.85 -1.26 -5.04 116.55 115.36 1idp n ASP 115 Ca 0.08 -2.36 0.04 0.00 -0.71 0.00 0.00 54.79 51.84 1idp n ASP 115 Cb 0.04 2.45 0.22 0.00 -1.35 0.00 0.00 41.12 42.48 1idp n ASP 115 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1idp n THR 116 N -0.43 0.00 0.39 2.12 -2.24 -1.26 -0.98 114.28 111.87 1idp n THR 116 Ca -0.03 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1idp n THR 116 Cb 0.46 -0.24 0.45 0.00 -2.10 0.00 0.00 70.33 68.90 1idp n THR 116 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1idp h THR 117 N 0.00 0.00 -5.96 4.28 1.35 -1.98 -3.47 112.91 107.12 1idp h THR 117 Ca 0.00 -0.52 -0.42 0.00 -0.55 0.00 0.00 66.41 64.92 1idp h THR 117 Cb 0.00 1.44 0.10 0.00 -1.73 0.00 0.00 68.15 67.96 1idp h THR 117 CO 0.00 0.00 -0.70 0.23 -0.25 0.00 0.00 175.52 174.80 1idp n MET 118 N -2.64 -7.38 -0.05 4.72 2.81 -0.16 -4.92 117.12 109.50 1idp n MET 118 Ca 0.03 0.77 -0.09 0.00 -1.81 0.00 0.00 57.70 56.61 1idp n MET 118 Cb 0.36 -5.79 -0.05 0.00 -0.71 0.00 0.00 33.22 27.03 1idp n MET 118 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1idp n LYS 119 N -4.92 0.26 -2.96 0.03 5.02 -1.26 -4.93 118.16 109.39 1idp n LYS 119 Ca 0.01 0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 1idp n LYS 119 Cb 0.55 -1.13 -0.05 0.00 -0.02 0.00 0.00 35.03 34.39 1idp n LYS 119 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1idp s GLU 120 N -2.21 4.26 -0.24 1.97 2.02 -1.26 -5.00 118.70 118.24 1idp s GLU 120 Ca -0.15 0.89 -0.22 0.00 0.02 0.00 0.00 54.97 55.51 1idp s GLU 120 Cb 0.04 -3.58 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 1idp s GLU 120 CO 0.23 -0.32 0.70 0.08 0.02 0.00 0.00 175.26 175.97 1idp s VAL 121 N 2.14 4.94 -0.09 2.63 1.01 -1.26 0.18 120.40 129.95 1idp s VAL 121 Ca 0.35 1.29 0.15 0.00 0.00 0.00 0.00 61.98 63.77 1idp s VAL 121 Cb -0.16 -4.00 -0.21 0.00 0.00 0.00 0.00 36.38 32.01 1idp s VAL 121 CO 0.11 0.00 0.60 0.35 0.00 0.00 0.00 175.10 176.16 1idp n THR 122 N 5.15 1.41 -3.59 3.92 -2.24 0.17 -4.84 114.28 114.27 1idp n THR 122 Ca 0.01 -0.77 -0.17 0.00 -2.27 0.00 0.00 64.05 60.86 1idp n THR 122 Cb 0.49 -0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 67.82 1idp n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1idp s MET 123 N -2.69 0.94 0.09 -0.78 0.23 -1.12 -4.99 119.30 110.98 1idp s MET 123 Ca -0.05 0.20 0.07 0.00 -1.03 0.00 0.00 55.69 54.88 1idp s MET 123 Cb 0.08 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.79 1idp s MET 123 CO 0.82 -0.28 -0.17 0.15 -2.03 0.00 0.00 175.02 173.52 1idp s LYS 124 N -1.11 0.98 0.11 3.16 1.02 -1.26 -0.70 119.74 121.94 1idp s LYS 124 Ca -0.11 -1.09 -0.25 0.00 0.02 0.00 0.00 55.97 54.54 1idp s LYS 124 Cb -0.02 -1.09 0.09 0.00 -0.52 0.00 0.00 37.83 36.29 1idp s LYS 124 CO 0.08 0.24 1.11 0.20 -0.92 0.00 0.00 175.35 176.07 1idp s GLY 125 N -1.92 -0.09 -0.03 -3.33 0.00 -0.57 -4.99 107.32 96.38 1idp s GLY 125 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 44.72 44.76 1idp s GLY 125 CO 0.03 2.11 0.01 0.30 0.00 0.00 0.00 173.10 175.56 1idp s HIS 126 N -2.41 0.28 -0.13 1.90 3.76 -0.37 -1.20 115.29 117.11 1idp s HIS 126 Ca 0.20 0.03 -0.10 0.00 -0.15 0.00 0.00 55.06 55.04 1idp s HIS 126 Cb -0.01 -0.44 -0.05 0.00 1.11 0.00 0.00 32.58 33.20 1idp s HIS 126 CO 0.02 -0.15 0.21 0.00 -0.85 0.00 0.00 174.74 173.97 1idp s ALA 127 N 1.27 3.75 -0.19 -1.40 0.00 -0.82 -1.16 121.76 123.21 1idp s ALA 127 Ca -0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 1idp s ALA 127 Cb -0.13 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1idp s ALA 127 CO -0.02 0.38 -0.13 -1.01 0.00 0.00 0.00 175.76 174.97 1idp s HIS 128 N -0.39 2.84 0.03 0.00 3.76 -0.90 -0.75 115.29 119.88 1idp s HIS 128 Ca 0.15 -1.22 0.01 0.00 -0.15 0.00 0.00 55.06 53.85 1idp s HIS 128 Cb -0.13 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.57 1idp s HIS 128 CO 0.04 -0.61 -0.05 0.45 -0.85 0.00 0.00 174.74 173.72 1idp s SER 129 N 1.20 0.52 -0.47 1.40 0.15 -0.21 -0.05 113.70 116.23 1idp s SER 129 Ca 0.02 -0.55 -0.15 0.00 0.70 0.00 0.00 55.95 55.97 1idp s SER 129 Cb -0.14 0.08 0.08 0.00 -1.71 0.00 0.00 66.02 64.33 1idp s SER 129 CO -0.06 -0.28 0.39 0.00 1.20 0.00 0.00 173.24 174.49 1idp s ALA 130 N -1.59 3.53 -0.30 5.45 0.00 -0.17 -1.29 121.76 127.40 1idp s ALA 130 Ca -0.12 -2.17 -0.21 0.00 0.00 0.00 0.00 51.96 49.46 1idp s ALA 130 Cb -0.09 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1idp s ALA 130 CO -0.01 -1.75 0.66 -0.80 0.00 0.00 0.00 175.76 173.86 1idp s ASN 131 N 2.65 6.54 -0.30 0.00 0.02 0.20 -0.90 114.94 123.15 1idp s ASN 131 Ca 0.04 0.52 -0.19 0.00 -1.02 0.00 0.00 52.86 52.21 1idp s ASN 131 Cb -0.25 -2.35 -0.01 0.00 0.02 0.00 0.00 41.25 38.66 1idp s ASN 131 CO 0.05 -0.49 0.55 -0.22 0.02 0.00 0.00 177.10 177.02 1idp s LEU 132 N 2.67 4.16 -0.07 0.60 1.98 -0.86 -0.73 118.68 126.43 1idp s LEU 132 Ca 0.27 0.34 0.00 0.00 -2.89 0.00 0.00 54.13 51.85 1idp s LEU 132 Cb -0.15 -2.69 -0.03 0.00 0.66 0.00 0.00 46.19 43.98 1idp s LEU 132 CO 0.11 -0.41 -0.05 -1.00 -1.89 0.00 0.00 176.35 173.12 1idp s HIS 133 N 2.44 3.00 -0.14 5.38 3.76 0.08 -0.12 115.29 129.69 1idp s HIS 133 Ca 0.22 0.07 -0.10 0.00 -0.15 0.00 0.00 55.06 55.10 1idp s HIS 133 Cb -0.15 -1.73 -0.05 0.00 1.11 0.00 0.00 32.58 31.76 1idp s HIS 133 CO 0.11 0.37 0.20 -1.58 -0.85 0.00 0.00 174.74 172.99 1idp s TRP 134 N -0.84 3.53 -0.02 1.40 0.51 -0.19 -1.23 118.94 122.11 1idp s TRP 134 Ca 0.13 0.54 0.06 0.00 -2.12 0.00 0.00 56.10 54.71 1idp s TRP 134 Cb -0.11 -2.12 -0.01 0.00 -0.81 0.00 0.00 33.47 30.41 1idp s TRP 134 CO 0.02 0.50 -0.19 0.71 -0.51 0.00 0.00 176.95 177.48 1idp s TYR 135 N -0.34 1.73 -0.06 -1.98 1.51 0.56 -0.18 117.35 118.59 1idp s TYR 135 Ca 0.14 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 1idp s TYR 135 Cb -0.12 -1.11 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 1idp s TYR 135 CO 0.03 -0.04 -0.10 0.15 -1.11 0.00 0.00 175.55 174.49 1idp s LYS 136 N -0.42 1.40 -0.36 -0.62 -0.14 -0.43 -1.29 119.74 117.88 1idp s LYS 136 Ca 0.07 -0.32 -0.24 0.00 -1.36 0.00 0.00 55.97 54.12 1idp s LYS 136 Cb -0.08 -1.21 0.01 0.00 -1.68 0.00 0.00 37.83 34.88 1idp s LYS 136 CO -0.01 0.00 0.82 0.21 -0.76 0.00 0.00 175.35 175.61 1idp s LYS 137 N 0.70 3.78 -0.22 1.68 2.20 0.19 -0.30 119.74 127.77 1idp s LYS 137 Ca -0.13 0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.88 1idp s LYS 137 Cb -0.15 -3.81 0.04 0.00 -1.51 0.00 0.00 37.83 32.40 1idp s LYS 137 CO 0.03 -0.87 -0.16 0.42 -0.36 0.00 0.00 175.35 174.41 1idp s ILE 138 N 3.18 2.08 -1.43 5.43 1.01 0.99 -4.69 121.20 127.77 1idp s ILE 138 Ca 0.33 -1.25 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 1idp s ILE 138 Cb -0.13 -2.03 0.05 0.00 0.01 0.00 0.00 42.46 40.35 1idp s ILE 138 CO 0.17 0.27 0.84 0.47 0.00 0.00 0.00 174.94 176.70 1idp n ASP 139 N 4.54 -3.13 0.00 3.58 10.43 -1.26 -1.92 116.55 128.79 1idp n ASP 139 Ca -0.18 -0.80 0.00 0.00 2.57 0.00 0.00 54.79 56.38 1idp n ASP 139 Cb 0.46 -3.93 0.00 0.00 1.84 0.00 0.00 41.12 39.50 1idp n ASP 139 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1idp n GLY 140 N -1.66 1.03 3.23 0.44 0.00 -1.26 -5.02 105.19 101.94 1idp n GLY 140 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1idp n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1idp s VAL 141 N -3.60 2.13 0.08 1.61 1.01 -0.81 -5.09 120.40 115.73 1idp s VAL 141 Ca 0.00 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.68 1idp s VAL 141 Cb 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 1idp s VAL 141 CO 0.00 0.56 1.34 0.26 0.00 0.00 0.00 175.10 177.26 1idp s TRP 142 N 0.38 3.22 0.06 5.22 0.52 -1.26 -0.01 118.94 127.07 1idp s TRP 142 Ca -0.18 1.02 0.09 0.00 0.02 0.00 0.00 56.10 57.05 1idp s TRP 142 Cb -0.18 -3.61 -0.03 0.00 -1.15 0.00 0.00 33.47 28.51 1idp s TRP 142 CO 0.08 -2.10 -0.24 0.15 0.02 0.00 0.00 176.95 174.86 1idp s LYS 143 N 1.34 1.54 -0.17 4.98 -0.14 0.59 -4.77 119.74 123.11 1idp s LYS 143 Ca 0.63 -1.11 -0.29 0.00 -1.36 0.00 0.00 55.97 53.84 1idp s LYS 143 Cb -0.34 -1.76 -0.04 0.00 -1.68 0.00 0.00 37.83 34.01 1idp s LYS 143 CO 0.29 0.44 1.73 0.12 -0.76 0.00 0.00 175.35 177.17 1idp s PHE 144 N -0.88 1.89 -0.53 3.18 2.19 0.13 -1.31 117.98 122.64 1idp s PHE 144 Ca 0.10 0.38 0.07 0.00 0.33 0.00 0.00 56.93 57.82 1idp s PHE 144 Cb -0.10 -3.99 0.21 0.00 -1.31 0.00 0.00 43.02 37.83 1idp s PHE 144 CO 0.03 -3.50 1.17 0.00 1.83 0.00 0.00 175.22 174.75 1idp n ALA 145 N 8.50 2.16 0.00 11.12 0.00 0.74 -0.41 120.51 142.63 1idp n ALA 145 Ca 0.20 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1idp n ALA 145 Cb 0.44 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1idp n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1idp n GLY 146 N 0.03 0.99 3.32 0.00 0.00 -1.17 -1.15 105.19 107.20 1idp n GLY 146 Ca 0.08 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 1idp n GLY 146 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1idp s LEU 147 N 0.00 0.40 -0.36 0.99 0.05 -0.10 -1.03 118.68 118.63 1idp s LEU 147 Ca 0.00 -0.21 -0.00 0.00 0.05 0.00 0.00 54.13 53.97 1idp s LEU 147 Cb 0.00 1.81 0.13 0.00 -2.05 0.00 0.00 46.19 46.08 1idp s LEU 147 CO 0.00 -0.79 0.20 -0.75 -0.55 0.00 0.00 176.35 174.46 1idp s LYS 148 N -3.35 0.68 0.28 1.48 2.20 0.82 -1.26 119.74 120.59 1idp s LYS 148 Ca 0.00 -1.37 -0.29 0.00 -0.36 0.00 0.00 55.97 53.95 1idp s LYS 148 Cb 0.01 -1.56 -0.09 0.00 -1.51 0.00 0.00 37.83 34.67 1idp s LYS 148 CO -0.09 -1.16 1.08 -2.14 -0.36 0.00 0.00 175.35 172.68 1idp s PRO 149 N 1.07 4.65 -0.65 4.03 0.02 -1.25 -2.03 135.00 140.83 1idp s PRO 149 Ca 0.16 1.77 -0.01 0.00 0.02 0.00 0.00 61.00 62.94 1idp s PRO 149 Cb -0.22 -3.18 0.16 0.00 0.02 0.00 0.00 34.50 31.29 1idp s PRO 149 CO -0.05 0.23 0.46 0.34 -0.33 0.00 0.00 177.00 177.65 1idp s ASP 150 N -0.93 5.14 -0.24 2.53 2.15 -0.08 -4.89 116.67 120.36 1idp s ASP 150 Ca 0.45 -3.07 -0.29 0.00 0.43 0.00 0.00 52.55 50.06 1idp s ASP 150 Cb -0.31 -1.81 0.01 0.00 -0.30 0.00 0.00 42.92 40.51 1idp s ASP 150 CO 0.40 -0.30 1.06 -0.63 -0.17 0.00 0.00 175.17 175.53 1idp s ILE 151 N -0.38 4.62 -0.13 4.11 -1.09 -1.26 -0.99 121.20 126.08 1idp s ILE 151 Ca 0.19 1.95 -0.07 0.00 -2.23 0.00 0.00 60.65 60.49 1idp s ILE 151 Cb -0.19 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.37 1idp s ILE 151 CO -0.05 -0.22 -0.13 0.03 -1.23 0.00 0.00 174.94 173.34 1idp h ARG 152 N 7.61 0.00 -2.97 2.79 -0.00 -0.83 -3.49 114.38 117.49 1idp h ARG 152 Ca -0.20 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.30 1idp h ARG 152 Cb 1.06 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 30.94 1idp h ARG 152 CO 0.99 0.01 0.23 1.67 0.00 0.00 0.00 179.97 182.87 1idp s TRP 153 N -2.07 -0.39 -0.00 3.04 1.48 -1.24 -5.05 118.94 114.71 1idp s TRP 153 Ca -0.11 0.09 0.01 0.00 -1.06 0.00 0.00 56.10 55.02 1idp s TRP 153 Cb 0.02 0.62 -0.00 0.00 -1.16 0.00 0.00 33.47 32.94 1idp s TRP 153 CO 0.17 -0.99 -0.02 0.20 -4.06 0.00 0.00 176.95 172.25 1idp s GLY 154 N -2.81 0.10 0.00 3.67 0.00 -1.26 -2.11 107.32 104.90 1idp s GLY 154 Ca 0.05 -0.10 0.25 0.00 0.00 0.00 0.00 44.72 44.93 1idp s GLY 154 CO -0.05 -0.09 1.41 -1.84 0.00 0.00 0.00 173.10 172.54