#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpp h VAL 3 N 0.00 0.00 -3.31 0.00 2.07 -2.03 -3.49 116.25 109.49 1kpp h VAL 3 Ca 0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1kpp h VAL 3 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1kpp h VAL 3 CO 0.00 0.00 -0.83 -1.20 0.02 0.00 0.00 177.57 175.56 1kpp n SER 4 N -4.10 -7.70 0.13 0.57 7.64 -1.26 -3.76 113.62 105.13 1kpp n SER 4 Ca -0.04 1.28 0.03 0.00 1.01 0.00 0.00 58.87 61.16 1kpp n SER 4 Cb 0.11 -4.25 0.43 0.00 -1.01 0.00 0.00 64.21 59.49 1kpp n SER 4 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1kpp h GLU 5 N 1.06 0.24 -0.31 1.43 3.07 -2.00 -2.70 114.58 115.36 1kpp h GLU 5 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1kpp h GLU 5 Cb 0.27 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1kpp h GLU 5 CO 0.00 0.32 0.20 1.03 -1.40 0.00 0.00 179.01 179.16 1kpp h SER 6 N 0.23 0.35 -0.65 1.42 0.87 -2.01 -2.69 113.55 111.07 1kpp h SER 6 Ca 0.05 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1kpp h SER 6 Cb 0.27 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1kpp h SER 6 CO 0.01 0.26 0.32 -0.61 -0.53 0.00 0.00 176.83 176.28 1kpp h GLN 7 N 0.42 0.93 -0.32 2.24 5.75 -1.58 -2.98 115.11 119.57 1kpp h GLN 7 Ca 0.11 -0.13 0.07 0.00 -0.15 0.00 0.00 58.65 58.55 1kpp h GLN 7 Cb -0.05 -0.17 -0.07 0.00 1.07 0.00 0.00 27.48 28.26 1kpp h GLN 7 CO -0.02 0.73 -0.14 1.25 -2.65 0.00 0.00 178.83 178.00 1kpp h LEU 8 N 0.89 -0.49 -2.48 -2.39 5.85 -1.26 0.15 115.31 115.58 1kpp h LEU 8 Ca 0.22 0.12 0.01 0.00 0.84 0.00 0.00 57.88 59.08 1kpp h LEU 8 Cb 0.11 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1kpp h LEU 8 CO -0.03 -0.18 0.07 0.50 -0.34 0.00 0.00 178.44 178.46 1kpp h LYS 9 N -0.09 0.00 0.00 1.25 3.64 -1.34 0.10 116.57 120.13 1kpp h LYS 9 Ca 0.16 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1kpp h LYS 9 Cb 0.34 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1kpp h LYS 9 CO -0.38 0.00 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.40 1kpp h LYS 10 N 0.00 0.00 -0.08 1.90 3.11 -0.63 -2.33 116.57 118.54 1kpp h LYS 10 Ca 0.02 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.71 1kpp h LYS 10 Cb 0.16 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.40 1kpp h LYS 10 CO -0.00 0.14 -0.55 0.52 -2.81 0.00 0.00 179.45 176.75 1kpp h MET 11 N 0.00 0.52 -0.02 1.90 0.00 -0.07 -3.22 114.93 114.04 1kpp h MET 11 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 59.70 59.25 1kpp h MET 11 Cb 1.11 0.10 0.00 0.00 0.00 0.00 0.00 31.60 32.81 1kpp h MET 11 CO 0.02 1.08 0.00 1.33 0.00 0.00 0.00 176.91 179.34 1kpp n VAL 12 N -4.20 0.00 0.13 -2.22 0.24 -1.15 -4.12 118.33 107.02 1kpp n VAL 12 Ca -0.08 -0.30 0.06 0.00 -2.04 0.00 0.00 64.34 61.97 1kpp n VAL 12 Cb 0.63 0.70 0.53 0.00 -1.47 0.00 0.00 33.84 34.23 1kpp n VAL 12 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1kpp h SER 13 N 2.82 0.23 0.75 -1.34 0.02 -1.42 -2.00 113.55 112.61 1kpp h SER 13 Ca 0.00 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1kpp h SER 13 Cb 0.60 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1kpp h SER 13 CO 0.00 0.17 -1.36 0.50 -1.14 0.00 0.00 176.83 175.00 1kpp h LYS 14 N 0.27 0.00 -7.01 3.45 1.63 -1.76 -3.47 116.57 109.66 1kpp h LYS 14 Ca 0.07 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 59.33 1kpp h LYS 14 Cb -0.02 0.00 0.19 0.00 -0.60 0.00 0.00 32.23 31.80 1kpp h LYS 14 CO -0.01 0.34 0.01 0.66 -3.45 0.00 0.00 179.45 177.00 1kpp n TYR 15 N -2.94 0.34 -0.08 1.91 4.02 -0.75 -4.98 117.16 114.69 1kpp n TYR 15 Ca -0.09 0.36 -0.11 0.00 -0.01 0.00 0.00 57.90 58.05 1kpp n TYR 15 Cb 0.85 -2.01 -0.07 0.00 -0.02 0.00 0.00 39.34 38.10 1kpp n TYR 15 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1kpp h LYS 16 N -0.96 0.00 -3.36 -0.72 3.11 -1.85 -3.39 116.57 109.40 1kpp h LYS 16 Ca -0.45 0.00 -0.76 0.00 -2.81 0.00 0.00 60.65 56.63 1kpp h LYS 16 Cb 1.31 0.00 -0.16 0.00 -1.00 0.00 0.00 32.23 32.38 1kpp h LYS 16 CO 0.43 0.55 1.98 0.66 -2.81 0.00 0.00 179.45 180.26 1kpp n TYR 17 N -4.59 2.83 0.00 1.91 4.01 -1.26 -4.81 117.16 115.25 1kpp n TYR 17 Ca -0.14 -2.77 -0.12 0.00 -0.16 0.00 0.00 57.90 54.71 1kpp n TYR 17 Cb 0.39 -1.88 -0.05 0.00 -0.31 0.00 0.00 39.34 37.48 1kpp n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1kpp h ARG 18 N 5.60 -0.45 0.84 -0.72 1.12 -1.85 1.01 114.38 119.93 1kpp h ARG 18 Ca 0.41 0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 59.27 1kpp h ARG 18 Cb 0.59 0.10 0.01 0.00 -0.01 0.00 0.00 29.97 30.66 1kpp h ARG 18 CO 1.60 -0.30 -0.43 -0.44 -3.11 0.00 0.00 179.97 177.29 1kpp h ASP 19 N -0.46 -1.03 -0.29 -3.80 5.19 -1.96 0.89 116.42 114.96 1kpp h ASP 19 Ca 0.08 0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.62 1kpp h ASP 19 Cb 0.60 0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 1kpp h ASP 19 CO -0.38 -0.71 0.28 0.25 -3.12 0.00 0.00 179.24 175.56 1kpp h LEU 20 N -1.16 0.00 0.00 1.55 7.12 -1.91 0.91 115.31 121.83 1kpp h LEU 20 Ca -0.11 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.83 1kpp h LEU 20 Cb 0.90 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.02 1kpp h LEU 20 CO 0.17 0.00 -0.53 0.74 -0.13 0.00 0.00 178.44 178.69 1kpp h THR 21 N 0.00 0.62 -0.21 1.05 2.02 0.16 -3.20 112.91 113.35 1kpp h THR 21 Ca 0.14 -1.61 -0.08 0.00 0.77 0.00 0.00 66.41 65.62 1kpp h THR 21 Cb 0.70 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1kpp h THR 21 CO -0.00 0.21 -0.23 0.58 0.37 0.00 0.00 175.52 176.45 1kpp h VAL 22 N -1.00 1.25 -0.18 3.16 2.07 0.11 -1.94 116.25 119.71 1kpp h VAL 22 Ca -0.10 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1kpp h VAL 22 Cb 0.74 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1kpp h VAL 22 CO -0.06 0.36 0.05 -0.09 0.02 0.00 0.00 177.57 177.85 1kpp h ARG 23 N 0.34 0.29 0.00 1.57 9.65 0.69 0.15 114.38 127.07 1kpp h ARG 23 Ca 0.05 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 1kpp h ARG 23 Cb 0.60 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 1kpp h ARG 23 CO 0.04 0.42 -0.35 0.93 2.80 0.00 0.00 179.97 183.80 1kpp h GLU 24 N 0.11 0.00 0.01 0.20 3.07 -1.52 0.26 114.58 116.71 1kpp h GLU 24 Ca 0.06 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.72 1kpp h GLU 24 Cb 0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1kpp h GLU 24 CO -0.00 0.35 -0.95 1.15 -1.40 0.00 0.00 179.01 178.16 1kpp h THR 25 N 0.00 1.63 0.07 1.13 2.02 -1.06 -3.17 112.91 113.53 1kpp h THR 25 Ca -0.00 -3.10 -0.18 0.00 0.77 0.00 0.00 66.41 63.89 1kpp h THR 25 Cb 0.64 2.71 -0.00 0.00 -1.74 0.00 0.00 68.15 69.75 1kpp h THR 25 CO 0.05 0.89 -0.92 1.62 0.37 0.00 0.00 175.52 177.52 1kpp h VAL 26 N 0.02 1.29 -0.92 3.16 3.04 -0.39 -3.11 116.25 119.34 1kpp h VAL 26 Ca -0.03 -2.37 0.19 0.00 -1.01 0.00 0.00 66.70 63.48 1kpp h VAL 26 Cb 1.65 2.88 -0.08 0.00 -2.01 0.00 0.00 31.29 33.74 1kpp h VAL 26 CO 0.13 0.61 0.60 -1.13 -1.01 0.00 0.00 177.57 176.76 1kpp h ASN 27 N -0.62 0.55 0.20 3.17 -0.73 -0.62 0.90 115.58 118.42 1kpp h ASN 27 Ca -0.21 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.01 1kpp h ASN 27 Cb 1.46 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 40.00 1kpp h ASN 27 CO 0.01 0.23 -0.09 0.58 -0.37 0.00 0.00 177.43 177.78 1kpp h VAL 28 N 0.55 0.00 -0.71 2.57 2.07 -1.68 -2.63 116.25 116.43 1kpp h VAL 28 Ca 0.49 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1kpp h VAL 28 Cb 1.01 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1kpp h VAL 28 CO -0.23 0.00 0.42 0.16 0.02 0.00 0.00 177.57 177.94 1kpp h ILE 29 N -0.81 1.02 -0.75 4.57 3.07 -1.43 0.49 117.51 123.67 1kpp h ILE 29 Ca -0.03 -0.27 0.03 0.00 1.55 0.00 0.00 64.86 66.14 1kpp h ILE 29 Cb 0.20 0.17 -0.04 0.00 -0.27 0.00 0.00 36.82 36.87 1kpp h ILE 29 CO 0.04 0.14 0.48 0.74 -1.05 0.00 0.00 178.15 178.51 1kpp h THR 30 N 0.79 1.13 -0.11 0.16 2.02 0.69 -2.67 112.91 114.91 1kpp h THR 30 Ca 0.30 -0.33 -0.19 0.00 0.77 0.00 0.00 66.41 66.97 1kpp h THR 30 Cb 0.12 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1kpp h THR 30 CO -0.15 0.17 -0.68 0.25 0.37 0.00 0.00 175.52 175.48 1kpp h LEU 31 N 0.95 0.79 -8.16 2.58 6.46 -0.98 -3.40 115.31 113.54 1kpp h LEU 31 Ca 0.29 -0.65 -0.72 0.00 -0.12 0.00 0.00 57.88 56.68 1kpp h LEU 31 Cb -0.02 -0.24 -0.26 0.00 -0.73 0.00 0.00 40.66 39.41 1kpp h LEU 31 CO -0.10 1.32 -0.43 -0.31 -0.62 0.00 0.00 178.44 178.30 1kpp s TYR 32 N -3.65 3.31 -1.51 1.25 2.02 0.17 -4.98 117.35 113.95 1kpp s TYR 32 Ca -0.11 -1.37 -0.09 0.00 -0.37 0.00 0.00 57.07 55.12 1kpp s TYR 32 Cb 0.07 -3.02 -0.01 0.00 -0.40 0.00 0.00 41.96 38.61 1kpp s TYR 32 CO 0.87 -0.84 2.67 1.63 -1.57 0.00 0.00 175.55 178.31 1kpp n LYS 33 N 4.99 3.82 0.00 -0.62 4.01 -1.23 -3.78 118.16 125.34 1kpp n LYS 33 Ca -0.11 -2.64 0.00 0.00 -0.51 0.00 0.00 58.31 55.05 1kpp n LYS 33 Cb 0.43 -2.83 0.00 0.00 -0.51 0.00 0.00 35.03 32.12 1kpp n LYS 33 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1kpp n ASP 34 N 3.45 0.00 -4.90 4.39 8.00 -1.26 -5.12 116.55 121.11 1kpp n ASP 34 Ca 0.69 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.90 1kpp n ASP 34 Cb 0.26 0.03 0.07 0.00 -0.02 0.00 0.00 41.12 41.46 1kpp n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1kpp s LEU 35 N -3.87 2.67 -0.06 0.64 2.01 -1.25 -4.46 118.68 114.37 1kpp s LEU 35 Ca 0.00 0.86 -0.08 0.00 0.01 0.00 0.00 54.13 54.92 1kpp s LEU 35 Cb 0.00 -3.47 0.02 0.00 0.01 0.00 0.00 46.19 42.75 1kpp s LEU 35 CO 0.00 -1.68 0.21 -0.54 1.01 0.00 0.00 176.35 175.35 1kpp s LYS 36 N -5.47 0.35 0.19 1.70 1.02 0.20 -4.94 119.74 112.79 1kpp s LYS 36 Ca 0.60 0.09 -0.30 0.00 0.02 0.00 0.00 55.97 56.39 1kpp s LYS 36 Cb -0.11 0.16 -0.08 0.00 -0.52 0.00 0.00 37.83 37.27 1kpp s LYS 36 CO 0.49 -0.06 1.27 -1.25 -0.92 0.00 0.00 175.35 174.88 1kpp s PRO 37 N -0.37 4.42 0.23 -1.68 0.04 -1.26 -2.17 135.00 134.21 1kpp s PRO 37 Ca -0.05 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.05 1kpp s PRO 37 Cb -0.03 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 1kpp s PRO 37 CO 0.01 -0.21 -0.09 0.08 0.04 0.00 0.00 177.00 176.83 1kpp s VAL 38 N 0.09 1.58 -0.03 -0.36 1.01 0.26 -4.91 120.40 118.04 1kpp s VAL 38 Ca 0.56 -2.15 -0.00 0.00 0.00 0.00 0.00 61.98 60.39 1kpp s VAL 38 Cb -0.35 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1kpp s VAL 38 CO 0.38 -0.46 0.01 -0.22 0.00 0.00 0.00 175.10 174.80 1kpp s LEU 39 N -3.35 1.01 -0.20 3.92 1.98 -1.26 -1.16 118.68 119.62 1kpp s LEU 39 Ca 0.25 -0.01 -0.10 0.00 -2.89 0.00 0.00 54.13 51.38 1kpp s LEU 39 Cb 0.02 -0.20 0.07 0.00 0.66 0.00 0.00 46.19 46.73 1kpp s LEU 39 CO 0.08 -0.13 0.47 1.51 -1.89 0.00 0.00 176.35 176.40 1kpp s ASP 40 N 1.21 -0.60 0.66 3.68 -4.77 -1.14 -4.97 116.67 110.75 1kpp s ASP 40 Ca -0.07 1.04 -0.13 0.00 -3.30 0.00 0.00 52.55 50.09 1kpp s ASP 40 Cb -0.13 0.96 -0.01 0.00 -1.09 0.00 0.00 42.92 42.65 1kpp s ASP 40 CO -0.02 -0.21 1.06 -0.44 0.70 0.00 0.00 175.17 176.26 1kpp s SER 41 N 1.56 5.47 -0.26 2.11 0.01 -1.26 -3.14 113.70 118.18 1kpp s SER 41 Ca -0.09 1.73 -0.02 0.00 1.31 0.00 0.00 55.95 58.88 1kpp s SER 41 Cb -0.08 -2.52 0.11 0.00 0.21 0.00 0.00 66.02 63.75 1kpp s SER 41 CO -0.14 -1.38 0.24 -0.47 0.41 0.00 0.00 173.24 171.89 1kpp s TYR 42 N -2.76 -0.25 0.24 2.43 6.14 -0.74 -4.88 117.35 117.53 1kpp s TYR 42 Ca 0.61 -0.16 -0.30 0.00 0.64 0.00 0.00 57.07 57.86 1kpp s TYR 42 Cb -0.15 -0.51 -0.09 0.00 0.42 0.00 0.00 41.96 41.63 1kpp s TYR 42 CO 0.47 -0.79 1.20 0.54 0.64 0.00 0.00 175.55 177.61 1kpp s VAL 43 N 2.30 3.37 0.60 3.14 0.11 -1.26 -3.02 120.40 125.64 1kpp s VAL 43 Ca 0.08 1.24 -0.09 0.00 -2.93 0.00 0.00 61.98 60.29 1kpp s VAL 43 Cb -0.15 -3.79 -0.02 0.00 -1.53 0.00 0.00 36.38 30.89 1kpp s VAL 43 CO -0.26 0.24 0.97 -0.36 -3.33 0.00 0.00 175.10 172.36 1kpp s PHE 44 N -0.54 3.46 -1.84 1.54 0.08 0.72 -4.95 117.98 116.45 1kpp s PHE 44 Ca 0.50 0.99 0.31 0.00 0.12 0.00 0.00 56.93 58.86 1kpp s PHE 44 Cb -0.34 -2.72 1.76 0.00 -0.57 0.00 0.00 43.02 41.15 1kpp s PHE 44 CO 0.41 -0.75 2.16 0.27 -0.10 0.00 0.00 175.22 177.20 1kpp n ASN 45 N -2.67 0.06 0.03 1.36 6.94 -1.26 -3.24 115.26 116.47 1kpp n ASN 45 Ca 0.05 -0.76 -0.06 0.00 -0.02 0.00 0.00 54.58 53.79 1kpp n ASN 45 Cb 0.56 -0.08 -0.11 0.00 -2.36 0.00 0.00 39.78 37.79 1kpp n ASN 45 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1kpp h ASP 46 N 0.08 0.00 0.00 0.53 1.82 -2.03 -3.48 116.42 113.34 1kpp h ASP 46 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1kpp h ASP 46 Cb 0.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.12 1kpp h ASP 46 CO 0.00 0.88 0.00 0.61 -1.61 0.00 0.00 179.24 179.12 1kpp n GLY 47 N 1.42 3.32 3.95 -0.78 0.00 -1.20 -5.13 105.19 106.78 1kpp n GLY 47 Ca -0.08 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1kpp n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kpp s SER 48 N 0.00 5.77 0.39 1.61 0.15 -1.26 -4.85 113.70 115.51 1kpp s SER 48 Ca 0.00 0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.94 1kpp s SER 48 Cb 0.00 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.82 1kpp s SER 48 CO 0.00 -0.76 0.06 -1.54 1.20 0.00 0.00 173.24 172.20 1kpp n SER 49 N -2.12 2.25 -3.64 5.45 3.41 -1.26 -0.20 113.62 117.51 1kpp n SER 49 Ca 0.02 -2.86 -0.07 0.00 -0.26 0.00 0.00 58.87 55.70 1kpp n SER 49 Cb 0.58 0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 65.03 1kpp n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1kpp s ARG 50 N -3.44 0.49 -0.43 4.33 6.06 -1.17 -4.87 118.95 119.92 1kpp s ARG 50 Ca 0.08 0.69 -0.28 0.00 -2.50 0.00 0.00 55.73 53.73 1kpp s ARG 50 Cb 0.00 0.18 0.02 0.00 0.06 0.00 0.00 34.95 35.22 1kpp s ARG 50 CO 0.06 -0.08 1.05 -1.83 -2.50 0.00 0.00 175.30 172.00 1kpp s GLU 51 N 0.77 3.75 -0.08 5.12 1.03 -1.26 -1.80 118.70 126.22 1kpp s GLU 51 Ca -0.03 0.55 0.00 0.00 0.03 0.00 0.00 54.97 55.53 1kpp s GLU 51 Cb -0.04 -3.87 -0.03 0.00 -0.80 0.00 0.00 34.13 29.39 1kpp s GLU 51 CO -0.10 -1.21 -0.06 -0.51 -1.33 0.00 0.00 175.26 172.04 1kpp s LEU 52 N 4.03 3.17 0.19 1.83 2.01 -1.19 -4.98 118.68 123.75 1kpp s LEU 52 Ca 0.44 -0.04 -0.22 0.00 0.01 0.00 0.00 54.13 54.32 1kpp s LEU 52 Cb -0.09 -1.70 -0.08 0.00 0.01 0.00 0.00 46.19 44.33 1kpp s LEU 52 CO 0.26 0.33 0.73 -0.32 1.01 0.00 0.00 176.35 178.36 1kpp s MET 53 N -0.61 4.36 0.04 1.70 1.75 -1.26 -2.87 119.30 122.41 1kpp s MET 53 Ca 0.09 0.96 0.03 0.00 -1.25 0.00 0.00 55.69 55.52 1kpp s MET 53 Cb -0.12 -3.06 -0.02 0.00 2.84 0.00 0.00 34.83 34.48 1kpp s MET 53 CO 0.02 0.49 -0.08 0.54 -0.65 0.00 0.00 175.02 175.33 1kpp s ASN 54 N -1.41 0.94 -0.21 1.11 2.20 -0.31 -2.49 114.94 114.77 1kpp s ASN 54 Ca 0.39 -0.50 -0.03 0.00 -0.94 0.00 0.00 52.86 51.78 1kpp s ASN 54 Cb -0.19 0.01 -0.00 0.00 -2.00 0.00 0.00 41.25 39.06 1kpp s ASN 54 CO 0.23 -0.15 -0.07 -0.76 -2.94 0.00 0.00 177.10 173.40 1kpp s LEU 55 N -1.41 2.76 0.25 3.54 1.43 -0.92 0.93 118.68 125.26 1kpp s LEU 55 Ca -0.07 -0.42 0.10 0.00 -1.03 0.00 0.00 54.13 52.70 1kpp s LEU 55 Cb -0.09 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1kpp s LEU 55 CO 0.01 -0.00 -0.10 -0.89 0.23 0.00 0.00 176.35 175.60 1kpp s THR 56 N 1.36 3.03 -5.00 5.49 2.01 -0.92 0.38 115.64 121.98 1kpp s THR 56 Ca 0.04 -2.05 0.00 0.00 0.31 0.00 0.00 61.69 59.99 1kpp s THR 56 Cb -0.14 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.78 1kpp s THR 56 CO -0.04 -0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.17 1kpp n GLY 57 N -0.61 -1.32 3.33 4.40 0.00 -0.92 -0.63 105.19 109.44 1kpp n GLY 57 Ca -0.07 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1kpp n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kpp s THR 58 N -1.67 1.85 -0.04 2.61 -4.23 -1.26 0.36 115.64 113.26 1kpp s THR 58 Ca 0.00 -1.77 0.06 0.00 -1.18 0.00 0.00 61.69 58.79 1kpp s THR 58 Cb 0.00 -1.77 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 1kpp s THR 58 CO 0.00 -0.18 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.07 1kpp s ILE 59 N -1.61 1.69 -0.39 2.99 1.01 -0.73 -4.47 121.20 119.68 1kpp s ILE 59 Ca 0.12 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 1kpp s ILE 59 Cb -0.08 -1.43 -0.06 0.00 0.01 0.00 0.00 42.46 40.90 1kpp s ILE 59 CO 0.06 0.48 2.30 -2.16 0.00 0.00 0.00 174.94 175.62 1kpp s PRO 60 N -0.21 2.54 -0.09 2.79 0.04 -1.26 -1.73 135.00 137.08 1kpp s PRO 60 Ca 0.01 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.65 1kpp s PRO 60 Cb -0.11 -4.49 0.02 0.00 0.04 0.00 0.00 34.50 29.97 1kpp s PRO 60 CO 0.01 -2.78 -0.05 0.08 0.04 0.00 0.00 177.00 174.30 1kpp s VAL 61 N 10.49 0.75 0.52 -0.36 1.01 0.26 -4.92 120.40 128.17 1kpp s VAL 61 Ca 0.97 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.60 1kpp s VAL 61 Cb -0.23 -0.81 -0.07 0.00 0.00 0.00 0.00 36.38 35.27 1kpp s VAL 61 CO 0.29 0.31 1.04 -2.65 0.00 0.00 0.00 175.10 174.10 1kpp n PRO 62 N 4.85 1.22 0.00 2.72 -0.02 -1.26 -2.17 135.00 140.34 1kpp n PRO 62 Ca -0.12 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1kpp n PRO 62 Cb 0.50 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1kpp n PRO 62 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1kpp n TYR 63 N -1.13 0.00 -2.22 6.00 9.36 -0.87 -4.75 117.16 123.55 1kpp n TYR 63 Ca 0.11 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.36 1kpp n TYR 63 Cb 0.44 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.17 1kpp n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1kpp n ARG 64 N -1.91 0.12 0.00 2.98 3.00 -1.26 -4.91 116.66 114.68 1kpp n ARG 64 Ca 0.00 -1.72 0.00 0.00 -0.01 0.00 0.00 57.85 56.12 1kpp n ARG 64 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 32.46 32.15 1kpp n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kpp n GLY 65 N 0.17 0.72 3.62 -0.13 0.00 -1.26 -5.14 105.19 103.17 1kpp n GLY 65 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1kpp n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kpp s ASN 66 N -0.01 3.51 -0.21 1.61 0.01 -1.26 -5.12 114.94 113.47 1kpp s ASN 66 Ca 0.00 -1.51 -0.18 0.00 -0.71 0.00 0.00 52.86 50.45 1kpp s ASN 66 Cb 0.00 0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.73 1kpp s ASN 66 CO 0.00 -0.69 0.52 -0.89 -1.51 0.00 0.00 177.10 174.53 1kpp s THR 67 N -2.95 5.10 0.30 1.60 2.01 -1.26 -2.05 115.64 118.38 1kpp s THR 67 Ca 0.24 0.94 0.11 0.00 0.31 0.00 0.00 61.69 63.29 1kpp s THR 67 Cb 0.06 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 1kpp s THR 67 CO 0.12 0.17 -0.16 -0.47 -0.69 0.00 0.00 174.62 173.59 1kpp s TYR 68 N 1.72 2.30 -0.42 4.92 6.14 -0.92 -4.94 117.35 126.15 1kpp s TYR 68 Ca 0.24 -0.40 -0.04 0.00 0.64 0.00 0.00 57.07 57.51 1kpp s TYR 68 Cb -0.15 -1.12 0.11 0.00 0.42 0.00 0.00 41.96 41.22 1kpp s TYR 68 CO 0.09 0.65 0.22 0.54 0.64 0.00 0.00 175.55 177.70 1kpp s ASN 69 N -3.54 5.31 -0.47 4.32 4.22 -1.26 0.93 114.94 124.46 1kpp s ASN 69 Ca 0.31 -2.02 -0.27 0.00 -2.14 0.00 0.00 52.86 48.73 1kpp s ASN 69 Cb -0.02 -1.85 0.03 0.00 1.28 0.00 0.00 41.25 40.68 1kpp s ASN 69 CO 0.15 -0.56 1.03 -0.63 -2.04 0.00 0.00 177.10 175.05 1kpp s ILE 70 N 1.16 4.35 0.41 0.54 -1.09 -0.71 -4.71 121.20 121.16 1kpp s ILE 70 Ca 0.08 0.99 -0.24 0.00 -2.23 0.00 0.00 60.65 59.25 1kpp s ILE 70 Cb -0.23 -4.51 -0.08 0.00 -1.58 0.00 0.00 42.46 36.05 1kpp s ILE 70 CO -0.04 -0.91 1.12 -2.16 -1.23 0.00 0.00 174.94 171.72 1kpp s PRO 71 N 4.08 4.06 0.02 2.79 0.04 -1.26 -1.78 135.00 142.94 1kpp s PRO 71 Ca 0.42 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.94 1kpp s PRO 71 Cb -0.09 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.91 1kpp s PRO 71 CO 0.29 -0.28 0.51 0.96 0.04 0.00 0.00 177.00 178.51 1kpp s ILE 72 N -1.52 0.03 0.40 0.56 -4.36 0.16 -4.16 121.20 112.31 1kpp s ILE 72 Ca 0.58 -0.26 0.08 0.00 -0.26 0.00 0.00 60.65 60.79 1kpp s ILE 72 Cb -0.27 -0.92 -0.05 0.00 1.25 0.00 0.00 42.46 42.46 1kpp s ILE 72 CO 0.34 -0.14 0.17 0.00 0.24 0.00 0.00 174.94 175.55 1kpp s LEU 74 N -3.90 2.17 0.07 0.00 0.20 0.16 -2.39 118.68 114.99 1kpp s LEU 74 Ca 0.41 -0.36 0.09 0.00 0.69 0.00 0.00 54.13 54.96 1kpp s LEU 74 Cb 0.03 -0.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.75 1kpp s LEU 74 CO 0.23 -0.18 -0.24 0.26 -0.29 0.00 0.00 176.35 176.12 1kpp s TRP 75 N -0.99 2.09 0.08 5.38 0.23 0.30 -2.16 118.94 123.88 1kpp s TRP 75 Ca -0.10 -0.40 0.02 0.00 -2.03 0.00 0.00 56.10 53.60 1kpp s TRP 75 Cb -0.07 -1.21 -0.04 0.00 0.03 0.00 0.00 33.47 32.18 1kpp s TRP 75 CO -0.00 0.17 -0.08 -0.51 0.96 0.00 0.00 176.95 177.49 1kpp s LEU 76 N -1.48 2.41 0.40 2.99 1.02 -1.04 -1.34 118.68 121.64 1kpp s LEU 76 Ca 0.10 -0.82 0.04 0.00 0.02 0.00 0.00 54.13 53.46 1kpp s LEU 76 Cb -0.10 -0.15 -0.04 0.00 0.02 0.00 0.00 46.19 45.92 1kpp s LEU 76 CO 0.03 -0.34 0.07 -1.48 0.02 0.00 0.00 176.35 174.65 1kpp s LEU 77 N -2.47 2.22 -0.54 1.79 -0.00 -1.26 -4.46 118.68 113.96 1kpp s LEU 77 Ca 0.04 -1.54 -0.01 0.00 -0.00 0.00 0.00 54.13 52.61 1kpp s LEU 77 Cb -0.01 -0.42 0.38 0.00 -0.00 0.00 0.00 46.19 46.13 1kpp s LEU 77 CO -0.02 -0.75 2.02 -0.90 -0.00 0.00 0.00 176.35 176.69 1kpp n ASP 78 N -1.06 7.12 0.00 1.48 5.75 -1.26 -4.77 116.55 123.81 1kpp n ASP 78 Ca -0.07 -3.53 0.00 0.00 -0.01 0.00 0.00 54.79 51.18 1kpp n ASP 78 Cb 0.66 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 1kpp n ASP 78 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1kpp n THR 79 N -0.49 0.00 -3.68 2.12 5.66 -1.26 -4.06 114.28 112.56 1kpp n THR 79 Ca 0.51 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.37 1kpp n THR 79 Cb 0.67 -0.14 -0.08 0.00 -1.55 0.00 0.00 70.33 69.23 1kpp n THR 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1kpp s TYR 80 N -2.36 -0.32 0.01 1.09 1.51 -1.26 -4.40 117.35 111.62 1kpp s TYR 80 Ca 0.00 0.49 -0.09 0.00 -1.01 0.00 0.00 57.07 56.46 1kpp s TYR 80 Cb 0.00 0.20 -0.31 0.00 -0.11 0.00 0.00 41.96 41.74 1kpp s TYR 80 CO 0.00 -0.48 0.89 -1.00 -1.11 0.00 0.00 175.55 173.85 1kpp h PRO 81 N 3.49 0.37 0.00 -1.71 0.13 -2.00 -3.44 132.00 128.83 1kpp h PRO 81 Ca -0.29 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1kpp h PRO 81 Cb 1.17 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1kpp h PRO 81 CO 0.40 1.27 0.00 0.66 -0.23 0.00 0.00 178.00 180.10 1kpp n TYR 82 N -3.57 0.00 0.00 1.56 4.02 -1.26 -5.01 117.16 112.90 1kpp n TYR 82 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1kpp n TYR 82 Cb 1.07 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.39 1kpp n TYR 82 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1kpp n ASN 83 N -0.47 0.00 -4.70 7.72 2.85 -1.26 -5.04 115.26 114.36 1kpp n ASN 83 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 1kpp n ASN 83 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1kpp s PRO 84 N 0.00 4.43 0.27 1.20 0.04 -1.26 -4.67 135.00 135.00 1kpp s PRO 84 Ca 0.00 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1kpp s PRO 84 Cb 0.00 -3.43 -0.13 0.00 0.04 0.00 0.00 34.50 30.98 1kpp s PRO 84 CO 0.00 -0.28 1.39 -2.30 0.04 0.00 0.00 177.00 175.85 1kpp n PRO 85 N 4.31 2.10 -3.18 0.56 -0.02 -1.26 -4.89 135.00 132.61 1kpp n PRO 85 Ca 0.09 0.75 -0.25 0.00 -2.02 0.00 0.00 63.50 62.07 1kpp n PRO 85 Cb 0.47 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 1kpp n PRO 85 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1kpp s ILE 86 N -0.28 4.97 -0.03 4.25 1.09 -0.45 -4.93 121.20 125.83 1kpp s ILE 86 Ca 0.65 -0.32 0.04 0.00 -1.10 0.00 0.00 60.65 59.92 1kpp s ILE 86 Cb -0.62 -3.83 -0.01 0.00 -1.06 0.00 0.00 42.46 36.94 1kpp s ILE 86 CO 0.52 -0.60 -0.15 0.00 -0.10 0.00 0.00 174.94 174.61 1kpp s PHE 88 N -0.10 1.11 -0.09 0.00 0.40 -1.01 -3.39 117.98 114.90 1kpp s PHE 88 Ca 0.01 -0.29 -0.10 0.00 -0.60 0.00 0.00 56.93 55.95 1kpp s PHE 88 Cb -0.09 -0.68 -0.05 0.00 0.51 0.00 0.00 43.02 42.71 1kpp s PHE 88 CO 0.01 0.01 0.23 0.54 0.70 0.00 0.00 175.22 176.70 1kpp s VAL 89 N -0.61 5.34 -0.51 -0.44 0.11 -0.69 0.90 120.40 124.51 1kpp s VAL 89 Ca 0.02 0.43 0.07 0.00 -2.93 0.00 0.00 61.98 59.57 1kpp s VAL 89 Cb -0.06 -3.52 0.26 0.00 -1.53 0.00 0.00 36.38 31.53 1kpp s VAL 89 CO 0.00 0.58 0.65 1.17 -3.33 0.00 0.00 175.10 174.18 1kpp n LYS 90 N 2.13 1.64 -0.20 1.54 3.00 -1.26 -4.60 118.16 120.42 1kpp n LYS 90 Ca -0.17 -3.94 -0.26 0.00 -0.00 0.00 0.00 58.31 53.93 1kpp n LYS 90 Cb 0.54 -1.74 0.25 0.00 0.00 0.00 0.00 35.03 34.08 1kpp n LYS 90 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1kpp n PRO 91 N 1.02 -4.43 -2.11 1.64 -0.02 -1.26 -4.61 135.00 125.23 1kpp n PRO 91 Ca 0.26 -1.25 -0.28 0.00 -2.02 0.00 0.00 63.50 60.20 1kpp n PRO 91 Cb 0.48 -1.66 0.05 0.00 -0.02 0.00 0.00 33.50 32.35 1kpp n PRO 91 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1kpp s THR 92 N -1.96 3.35 -0.74 3.45 -4.23 -1.26 -4.98 115.64 109.27 1kpp s THR 92 Ca 0.58 0.21 0.25 0.00 -1.18 0.00 0.00 61.69 61.54 1kpp s THR 92 Cb -0.10 -3.40 0.11 0.00 1.34 0.00 0.00 72.50 70.45 1kpp s THR 92 CO 0.48 -0.47 1.48 -0.24 -0.54 0.00 0.00 174.62 175.32 1kpp n SER 93 N -2.86 0.63 -0.04 3.99 2.88 -1.26 -2.41 113.62 114.56 1kpp n SER 93 Ca 0.06 0.19 -0.05 0.00 -1.33 0.00 0.00 58.87 57.74 1kpp n SER 93 Cb 0.58 -0.07 -0.14 0.00 -0.75 0.00 0.00 64.21 63.83 1kpp n SER 93 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1kpp n SER 94 N -2.00 0.43 0.05 -3.46 7.64 -1.26 -4.27 113.62 110.76 1kpp n SER 94 Ca 0.04 0.20 0.01 0.00 1.01 0.00 0.00 58.87 60.14 1kpp n SER 94 Cb 0.41 0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 64.17 1kpp n SER 94 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1kpp h MET 95 N 0.00 0.00 -1.93 1.43 -1.53 -1.87 -3.50 114.93 107.53 1kpp h MET 95 Ca -0.33 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 55.93 1kpp h MET 95 Cb 1.90 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.95 1kpp h MET 95 CO 0.04 0.27 -0.50 2.41 0.14 0.00 0.00 176.91 179.27 1kpp n THR 96 N -2.88 -1.59 -3.24 -0.77 -1.04 -1.01 -3.86 114.28 99.89 1kpp n THR 96 Ca -0.08 0.78 -0.43 0.00 -2.04 0.00 0.00 64.05 62.28 1kpp n THR 96 Cb 0.80 -1.28 -0.08 0.00 -1.82 0.00 0.00 70.33 67.95 1kpp n THR 96 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1kpp s ILE 97 N -4.65 4.99 0.05 12.58 2.07 -1.26 -4.30 121.20 130.69 1kpp s ILE 97 Ca 0.00 -0.27 -0.30 0.00 -1.41 0.00 0.00 60.65 58.67 1kpp s ILE 97 Cb 0.00 -4.12 -0.05 0.00 0.13 0.00 0.00 42.46 38.42 1kpp s ILE 97 CO 0.00 -0.53 1.08 -0.75 -1.91 0.00 0.00 174.94 172.84 1kpp s LYS 98 N 2.37 4.52 0.20 3.50 2.20 0.29 -4.98 119.74 127.83 1kpp s LYS 98 Ca 0.15 1.60 -0.30 0.00 -0.36 0.00 0.00 55.97 57.06 1kpp s LYS 98 Cb -0.17 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.68 1kpp s LYS 98 CO 0.15 -0.11 1.10 0.95 -0.36 0.00 0.00 175.35 177.08 1kpp s THR 99 N 0.85 3.78 0.00 3.43 -4.23 -1.26 -4.55 115.64 113.66 1kpp s THR 99 Ca 0.54 1.58 0.00 0.00 -1.18 0.00 0.00 61.69 62.63 1kpp s THR 99 Cb -0.26 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.58 1kpp s THR 99 CO 0.29 0.29 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 1kpp n GLY 100 N 1.90 4.75 0.20 3.99 0.00 0.13 -4.97 105.19 111.19 1kpp n GLY 100 Ca 0.02 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 1kpp n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kpp h LYS 101 N 0.00 0.48 0.00 1.61 1.57 -1.99 -3.36 116.57 114.88 1kpp h LYS 101 Ca 0.00 -0.32 -0.28 0.00 -1.87 0.00 0.00 60.65 58.18 1kpp h LYS 101 Cb 0.00 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1kpp h LYS 101 CO 0.00 0.93 -2.05 0.72 -0.57 0.00 0.00 179.45 178.48 1kpp n HIS 102 N -3.92 0.00 -2.74 -1.35 8.25 -1.26 -4.67 115.22 109.52 1kpp n HIS 102 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 1kpp n HIS 102 Cb 0.63 -0.71 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 1kpp n HIS 102 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1kpp s VAL 103 N -2.37 4.41 0.00 1.59 -7.23 -1.26 -0.83 120.40 114.71 1kpp s VAL 103 Ca -0.24 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1kpp s VAL 103 Cb 0.06 -5.00 0.00 0.00 0.56 0.00 0.00 36.38 32.01 1kpp s VAL 103 CO 0.44 -1.79 0.00 0.47 -0.31 0.00 0.00 175.10 173.91 1kpp n ASP 104 N 7.50 -1.04 -0.30 4.85 8.00 -1.24 0.23 116.55 134.54 1kpp n ASP 104 Ca 0.36 -0.02 0.09 0.00 0.71 0.00 0.00 54.79 55.93 1kpp n ASP 104 Cb 0.47 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.97 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kpp n ALA 105 N -3.00 2.55 -2.14 2.24 0.00 -1.26 -3.61 120.51 115.29 1kpp n ALA 105 Ca 0.00 -0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.16 1kpp n ALA 105 Cb 0.00 -1.16 0.10 0.00 0.00 0.00 0.00 19.45 18.39 1kpp n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kpp n ASN 106 N -0.16 1.31 -3.78 0.00 3.02 -1.26 -5.00 115.26 109.38 1kpp n ASN 106 Ca 0.14 -2.78 -0.24 0.00 -0.03 0.00 0.00 54.58 51.67 1kpp n ASN 106 Cb 0.20 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 38.99 1kpp n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kpp n GLY 107 N -0.17 -0.35 2.99 7.41 0.00 -1.24 -4.89 105.19 108.94 1kpp n GLY 107 Ca 0.11 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 1kpp n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kpp s LYS 108 N -6.16 1.89 -0.28 1.61 2.20 -1.26 -1.70 119.74 116.04 1kpp s LYS 108 Ca 0.06 -2.40 -0.28 0.00 -0.36 0.00 0.00 55.97 52.99 1kpp s LYS 108 Cb -0.02 -3.33 -0.06 0.00 -1.51 0.00 0.00 37.83 32.91 1kpp s LYS 108 CO 0.84 -1.07 2.26 -0.89 -0.36 0.00 0.00 175.35 176.14 1kpp n ILE 109 N 3.48 0.25 -2.10 5.43 -0.00 -1.19 -3.68 119.36 121.55 1kpp n ILE 109 Ca 0.05 -0.51 -0.39 0.00 -0.00 0.00 0.00 62.75 61.89 1kpp n ILE 109 Cb 0.35 -2.55 0.03 0.00 -0.00 0.00 0.00 39.64 37.48 1kpp n ILE 109 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1kpp n TYR 110 N 12.40 2.99 -1.66 1.39 4.01 -0.01 -4.76 117.16 131.53 1kpp n TYR 110 Ca 0.32 -2.45 -0.43 0.00 -0.16 0.00 0.00 57.90 55.19 1kpp n TYR 110 Cb 0.45 -1.10 -0.03 0.00 -0.31 0.00 0.00 39.34 38.35 1kpp n TYR 110 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1kpp n LEU 111 N -0.45 4.02 0.20 7.72 4.77 -1.26 -4.73 117.00 127.27 1kpp n LEU 111 Ca 0.51 0.84 0.05 0.00 -0.03 0.00 0.00 56.01 57.38 1kpp n LEU 111 Cb 0.27 -1.52 0.39 0.00 -2.33 0.00 0.00 43.42 40.23 1kpp n LEU 111 CO 0.50 0.10 0.72 1.55 -1.33 0.00 0.00 177.39 178.93 1kpp h PRO 112 N 10.94 0.00 -0.11 3.23 0.13 -1.96 -2.81 132.00 141.43 1kpp h PRO 112 Ca -0.49 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1kpp h PRO 112 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1kpp h PRO 112 CO 0.94 0.35 0.08 1.88 -0.23 0.00 0.00 178.00 181.03 1kpp h TYR 113 N 0.00 0.00 0.05 1.56 0.05 -1.94 0.12 116.97 116.80 1kpp h TYR 113 Ca -0.00 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.44 1kpp h TYR 113 Cb 0.75 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.45 1kpp h TYR 113 CO 0.00 0.00 -1.93 -0.11 -1.05 0.00 0.00 178.16 175.07 1kpp n LEU 114 N -4.42 1.58 -0.09 3.88 7.94 -1.10 -3.63 117.00 121.16 1kpp n LEU 114 Ca -0.00 0.26 -0.07 0.00 -1.11 0.00 0.00 56.01 55.09 1kpp n LEU 114 Cb 0.20 -0.34 0.10 0.00 0.53 0.00 0.00 43.42 43.91 1kpp n LEU 114 CO 0.34 0.61 0.74 -0.74 -1.11 0.00 0.00 177.39 177.23 1kpp h HIS 115 N 0.03 0.88 -0.86 1.96 2.76 -1.16 -2.75 115.15 116.01 1kpp h HIS 115 Ca -0.38 -0.18 -0.40 0.00 -2.20 0.00 0.00 60.37 57.21 1kpp h HIS 115 Cb 2.04 -0.22 -0.24 0.00 1.55 0.00 0.00 27.41 30.54 1kpp h HIS 115 CO 0.03 0.90 0.51 -1.91 -1.30 0.00 0.00 177.93 176.15 1kpp n GLU 116 N -4.13 2.57 0.00 5.26 2.13 0.35 -4.60 120.64 122.22 1kpp n GLU 116 Ca 0.01 -2.80 0.00 0.00 0.66 0.00 0.00 57.16 55.03 1kpp n GLU 116 Cb 0.40 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.00 1kpp n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1kpp n TRP 117 N -0.75 0.00 -0.84 4.31 -0.00 -1.04 -5.00 117.44 114.12 1kpp n TRP 117 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 58.00 1kpp n TRP 117 Cb 1.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.82 1kpp n TRP 117 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1kpp n LYS 118 N -1.33 -1.29 -0.61 5.87 2.85 -1.26 -5.00 118.16 117.39 1kpp n LYS 118 Ca 0.00 1.28 -0.11 0.00 -1.05 0.00 0.00 58.31 58.44 1kpp n LYS 118 Cb 0.00 -0.98 0.09 0.00 -0.65 0.00 0.00 35.03 33.49 1kpp n LYS 118 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1kpp n HIS 119 N 0.41 -1.97 -0.78 5.58 -0.00 -1.26 -4.31 115.22 112.89 1kpp n HIS 119 Ca 0.00 0.26 -0.18 0.00 -0.00 0.00 0.00 57.72 57.80 1kpp n HIS 119 Cb 0.00 -1.37 0.06 0.00 -0.00 0.00 0.00 29.99 28.67 1kpp n HIS 119 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1kpp n PRO 120 N -0.23 1.87 -0.01 -1.40 -0.04 -1.26 -4.82 135.00 129.10 1kpp n PRO 120 Ca 0.04 -1.77 0.04 0.00 -0.04 0.00 0.00 63.50 61.76 1kpp n PRO 120 Cb 0.21 -1.69 -0.08 0.00 -0.04 0.00 0.00 33.50 31.89 1kpp n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kpp n GLN 121 N 0.03 0.67 -0.92 0.54 0.00 -1.26 -5.03 117.38 111.41 1kpp n GLN 121 Ca 0.34 -0.08 -0.31 0.00 0.00 0.00 0.00 57.00 56.95 1kpp n GLN 121 Cb 0.73 -1.25 0.14 0.00 0.00 0.00 0.00 30.24 29.86 1kpp n GLN 121 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1kpp s SER 122 N -3.37 3.45 0.00 2.61 1.04 -1.26 -5.03 113.70 111.15 1kpp s SER 122 Ca -0.04 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.40 1kpp s SER 122 Cb 0.06 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1kpp s SER 122 CO 0.43 -2.74 0.00 -0.90 0.98 0.00 0.00 173.24 171.01 1kpp n ASP 123 N -3.99 0.00 0.05 7.02 5.75 -1.26 -4.94 116.55 119.19 1kpp n ASP 123 Ca 0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.74 1kpp n ASP 123 Cb 0.53 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.48 1kpp n ASP 123 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1kpp h LEU 124 N 0.00 0.30 -0.61 -2.12 3.38 -1.96 -3.07 115.31 111.22 1kpp h LEU 124 Ca 0.00 -0.42 0.12 0.00 0.09 0.00 0.00 57.88 57.67 1kpp h LEU 124 Cb 0.00 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 1kpp h LEU 124 CO 0.00 1.35 0.07 -0.07 0.09 0.00 0.00 178.44 179.88 1kpp h LEU 125 N 0.05 -0.14 0.00 1.67 4.07 -1.96 -0.63 115.31 118.37 1kpp h LEU 125 Ca -0.22 0.13 -0.12 0.00 0.08 0.00 0.00 57.88 57.75 1kpp h LEU 125 Cb 1.99 0.21 -0.02 0.00 1.08 0.00 0.00 40.66 43.92 1kpp h LEU 125 CO 0.15 -0.06 -0.63 1.23 -1.08 0.00 0.00 178.44 178.05 1kpp h GLY 126 N 0.18 0.00 1.62 0.83 0.00 -1.96 -3.13 103.07 100.61 1kpp h GLY 126 Ca 0.32 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.70 1kpp h GLY 126 CO -0.47 0.00 0.15 -2.00 0.00 0.00 0.00 176.54 174.22 1kpp h LEU 127 N 0.00 0.07 0.00 3.11 7.12 -1.03 -1.19 115.31 123.39 1kpp h LEU 127 Ca -0.02 -0.00 -0.21 0.00 0.13 0.00 0.00 57.88 57.78 1kpp h LEU 127 Cb 1.45 -0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 41.53 1kpp h LEU 127 CO 0.07 0.04 -1.53 -0.38 -0.13 0.00 0.00 178.44 176.51 1kpp n ILE 128 N -4.49 1.32 0.06 4.05 -0.00 -0.94 -4.00 119.36 115.36 1kpp n ILE 128 Ca 0.02 -0.73 0.00 0.00 -0.00 0.00 0.00 62.75 62.04 1kpp n ILE 128 Cb 0.24 -0.82 0.31 0.00 -0.00 0.00 0.00 39.64 39.37 1kpp n ILE 128 CO 0.00 0.00 0.00 -0.61 -0.00 0.00 0.00 176.55 175.94 1kpp h GLN 129 N 0.00 0.36 -0.49 0.38 4.15 -1.19 -1.56 115.11 116.77 1kpp h GLN 129 Ca -0.21 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.03 1kpp h GLN 129 Cb 1.73 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 29.36 1kpp h GLN 129 CO 0.06 0.50 -0.03 -0.24 -1.93 0.00 0.00 178.83 177.19 1kpp h VAL 130 N 0.34 1.27 -0.30 2.39 3.04 -1.49 -3.07 116.25 118.42 1kpp h VAL 130 Ca 0.06 -1.12 -0.07 0.00 -1.01 0.00 0.00 66.70 64.57 1kpp h VAL 130 Cb 0.45 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 1kpp h VAL 130 CO 0.03 0.39 -0.08 0.24 -1.01 0.00 0.00 177.57 177.14 1kpp h MET 131 N 0.73 0.58 -0.44 4.17 2.86 -1.62 0.95 114.93 122.17 1kpp h MET 131 Ca 0.13 -0.23 0.13 0.00 -2.06 0.00 0.00 59.70 57.68 1kpp h MET 131 Cb 0.55 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1kpp h MET 131 CO 0.03 0.78 0.46 0.97 1.06 0.00 0.00 176.91 180.21 1kpp h ILE 132 N 0.35 0.39 0.00 -1.22 2.10 -1.23 0.75 117.51 118.65 1kpp h ILE 132 Ca 0.08 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.81 1kpp h ILE 132 Cb 0.57 0.64 -0.03 0.00 -1.09 0.00 0.00 36.82 36.90 1kpp h ILE 132 CO 0.03 0.00 -1.44 0.52 -1.08 0.00 0.00 178.15 176.18 1kpp n VAL 133 N -3.74 1.50 -0.30 2.19 0.31 -1.06 -2.59 118.33 114.65 1kpp n VAL 133 Ca 0.08 -0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.44 1kpp n VAL 133 Cb 0.64 -2.13 0.30 0.00 -0.91 0.00 0.00 33.84 31.74 1kpp n VAL 133 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1kpp h VAL 134 N -1.00 0.94 0.00 2.52 2.07 -0.43 -0.38 116.25 119.98 1kpp h VAL 134 Ca -0.31 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 66.74 1kpp h VAL 134 Cb 1.17 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1kpp h VAL 134 CO -0.19 0.16 -0.98 -0.26 0.02 0.00 0.00 177.57 176.32 1kpp h PHE 135 N 0.89 0.00 0.00 1.57 -1.00 0.31 -3.25 116.94 115.46 1kpp h PHE 135 Ca 0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.21 1kpp h PHE 135 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1kpp h PHE 135 CO -0.00 0.67 0.00 0.78 -1.61 0.00 0.00 178.31 178.15 1kpp h GLY 136 N 3.46 0.00 0.06 -1.45 0.00 -0.81 -3.07 103.07 101.25 1kpp h GLY 136 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.97 1kpp h GLY 136 CO 0.07 0.00 -1.53 1.22 0.00 0.00 0.00 176.54 176.31 1kpp n ASP 137 N -2.89 1.90 -3.24 0.19 8.00 -0.93 -4.67 116.55 114.91 1kpp n ASP 137 Ca -0.01 0.38 0.01 0.00 0.71 0.00 0.00 54.79 55.89 1kpp n ASP 137 Cb 0.17 -0.93 -0.02 0.00 -0.02 0.00 0.00 41.12 40.32 1kpp n ASP 137 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1kpp s GLU 138 N -2.40 0.53 0.32 -1.24 -1.05 -1.16 -5.04 118.70 108.65 1kpp s GLU 138 Ca -0.30 0.99 -0.29 0.00 -0.15 0.00 0.00 54.97 55.22 1kpp s GLU 138 Cb 0.07 0.43 -0.13 0.00 -0.44 0.00 0.00 34.13 34.07 1kpp s GLU 138 CO 0.59 -0.57 1.28 -2.30 0.95 0.00 0.00 175.26 175.21 1kpp n PRO 139 N 5.42 2.04 -0.01 -4.83 -0.02 -1.23 -4.62 135.00 131.75 1kpp n PRO 139 Ca -0.03 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 1kpp n PRO 139 Cb 0.51 -2.29 0.64 0.00 -0.02 0.00 0.00 33.50 32.33 1kpp n PRO 139 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1kpp n PRO 140 N 0.83 1.33 -0.04 0.52 -0.04 -1.26 -3.93 135.00 132.41 1kpp n PRO 140 Ca 0.06 -0.49 -0.19 0.00 -0.04 0.00 0.00 63.50 62.84 1kpp n PRO 140 Cb 0.35 -1.43 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 1kpp n PRO 140 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kpp h VAL 141 N 1.11 1.25 -2.24 0.52 2.07 -1.83 -2.08 116.25 115.06 1kpp h VAL 141 Ca 0.00 -2.34 0.22 0.00 0.82 0.00 0.00 66.70 65.40 1kpp h VAL 141 Cb 0.24 2.81 -0.08 0.00 -1.52 0.00 0.00 31.29 32.74 1kpp h VAL 141 CO 0.00 0.57 -0.46 0.33 0.02 0.00 0.00 177.57 178.03 1kpp n PHE 142 N -4.27 -2.16 -2.43 1.57 -0.00 -1.25 -0.55 117.46 108.37 1kpp n PHE 142 Ca -0.22 1.12 -0.01 0.00 -0.00 0.00 0.00 57.45 58.34 1kpp n PHE 142 Cb 0.72 -1.96 0.03 0.00 -0.00 0.00 0.00 39.48 38.27 1kpp n PHE 142 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1kpp n SER 143 N -4.26 -0.47 -3.11 -2.13 3.41 -1.25 -4.32 113.62 101.49 1kpp n SER 143 Ca -0.01 -1.30 -0.01 0.00 -0.26 0.00 0.00 58.87 57.28 1kpp n SER 143 Cb 0.60 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 1kpp n SER 143 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1kpp n ARG 144 N -0.45 -0.94 0.00 4.33 1.85 -1.26 -5.07 116.66 115.12 1kpp n ARG 144 Ca -0.06 1.18 0.00 0.00 -1.00 0.00 0.00 57.85 57.97 1kpp n ARG 144 Cb 0.60 -1.88 0.00 0.00 -1.05 0.00 0.00 32.46 30.13 1kpp n ARG 144 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32