#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpp n VAL 3 N 0.00 1.92 -1.42 0.00 0.24 -1.26 -5.03 118.33 112.78 1kpp n VAL 3 Ca 0.00 -5.04 -0.30 0.00 -2.04 0.00 0.00 64.34 56.96 1kpp n VAL 3 Cb 0.00 -2.08 0.10 0.00 -1.47 0.00 0.00 33.84 30.39 1kpp n VAL 3 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1kpp s SER 4 N -2.23 4.24 0.48 -1.34 0.15 -1.26 -4.84 113.70 108.90 1kpp s SER 4 Ca 0.38 1.44 0.13 0.00 0.70 0.00 0.00 55.95 58.60 1kpp s SER 4 Cb 0.14 -2.16 1.14 0.00 -1.71 0.00 0.00 66.02 63.42 1kpp s SER 4 CO -0.04 -2.15 2.12 1.05 1.20 0.00 0.00 173.24 175.42 1kpp h GLU 5 N -1.21 0.17 0.13 5.44 4.11 -1.98 -1.82 114.58 119.42 1kpp h GLU 5 Ca -0.47 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 1kpp h GLU 5 Cb 1.26 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1kpp h GLU 5 CO 0.57 0.12 -0.06 1.03 0.07 0.00 0.00 179.01 180.73 1kpp h SER 6 N 0.17 -0.15 -0.86 3.06 0.87 -2.00 -1.51 113.55 113.14 1kpp h SER 6 Ca 0.05 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.37 1kpp h SER 6 Cb -0.01 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 1kpp h SER 6 CO -0.01 0.18 0.56 -0.61 -0.53 0.00 0.00 176.83 176.42 1kpp h GLN 7 N -0.51 1.07 0.00 2.24 4.15 -1.85 -1.53 115.11 118.69 1kpp h GLN 7 Ca -0.02 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 1kpp h GLN 7 Cb 0.40 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1kpp h GLN 7 CO 0.03 0.71 -0.26 1.25 -1.93 0.00 0.00 178.83 178.64 1kpp h LEU 8 N 1.11 0.00 -0.21 -2.39 5.85 -1.30 -2.95 115.31 115.42 1kpp h LEU 8 Ca 0.33 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.07 1kpp h LEU 8 Cb -0.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1kpp h LEU 8 CO -0.10 0.26 0.09 0.50 -0.34 0.00 0.00 178.44 178.85 1kpp h LYS 9 N 0.00 0.20 -0.53 1.25 3.64 -0.19 0.00 116.57 120.93 1kpp h LYS 9 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1kpp h LYS 9 Cb 0.50 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1kpp h LYS 9 CO 0.03 0.13 0.24 0.87 -2.27 0.00 0.00 179.45 178.46 1kpp h LYS 10 N 0.20 0.75 0.00 1.90 1.79 -1.47 0.65 116.57 120.40 1kpp h LYS 10 Ca 0.09 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1kpp h LYS 10 Cb 0.04 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1kpp h LYS 10 CO -0.07 0.59 -0.35 0.52 -1.08 0.00 0.00 179.45 179.06 1kpp h MET 11 N 0.75 0.00 -0.34 3.15 2.86 -1.34 -2.97 114.93 117.05 1kpp h MET 11 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1kpp h MET 11 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1kpp h MET 11 CO -0.02 0.35 0.00 1.33 1.06 0.00 0.00 176.91 179.63 1kpp n VAL 12 N -3.50 2.41 0.15 -2.22 0.24 -0.07 -4.53 118.33 110.81 1kpp n VAL 12 Ca -0.00 -1.77 0.01 0.00 -2.04 0.00 0.00 64.34 60.54 1kpp n VAL 12 Cb 0.50 -0.26 0.22 0.00 -1.47 0.00 0.00 33.84 32.83 1kpp n VAL 12 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1kpp h SER 13 N 2.36 0.00 0.77 -1.34 4.64 -0.74 -2.98 113.55 116.26 1kpp h SER 13 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1kpp h SER 13 Cb 1.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.65 1kpp h SER 13 CO 0.29 0.54 -0.64 0.11 -0.87 0.00 0.00 176.83 176.26 1kpp h LYS 14 N 0.00 0.00 -6.55 4.77 1.79 -1.81 -3.45 116.57 111.33 1kpp h LYS 14 Ca -0.01 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.92 1kpp h LYS 14 Cb 1.01 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.71 1kpp h LYS 14 CO 0.07 0.64 1.01 0.66 -1.08 0.00 0.00 179.45 180.75 1kpp n TYR 15 N -3.64 2.58 0.13 -1.35 4.02 -1.13 -4.86 117.16 112.91 1kpp n TYR 15 Ca -0.01 0.01 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 1kpp n TYR 15 Cb 0.66 -2.67 0.57 0.00 -0.02 0.00 0.00 39.34 37.88 1kpp n TYR 15 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1kpp h LYS 16 N 7.43 0.19 0.00 -0.72 -0.00 -1.82 -3.18 116.57 118.47 1kpp h LYS 16 Ca -0.45 -0.01 -0.12 0.00 -0.00 0.00 0.00 60.65 60.07 1kpp h LYS 16 Cb 1.22 -0.04 -0.02 0.00 -0.00 0.00 0.00 32.23 33.39 1kpp h LYS 16 CO 0.94 0.13 -0.91 0.66 -0.00 0.00 0.00 179.45 180.26 1kpp n TYR 17 N -4.50 0.94 0.00 0.07 4.01 -1.26 -4.93 117.16 111.48 1kpp n TYR 17 Ca 0.01 0.41 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 1kpp n TYR 17 Cb 0.14 -0.93 0.00 0.00 -0.31 0.00 0.00 39.34 38.25 1kpp n TYR 17 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1kpp n ARG 18 N -4.52 0.00 0.16 -0.72 0.63 -1.21 -3.99 116.66 107.01 1kpp n ARG 18 Ca -0.20 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.59 1kpp n ARG 18 Cb 0.48 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.32 1kpp n ARG 18 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1kpp h ASP 19 N 0.00 -0.43 -0.14 6.15 1.82 -1.91 0.35 116.42 122.26 1kpp h ASP 19 Ca 0.00 0.03 0.02 0.00 -0.39 0.00 0.00 57.03 56.69 1kpp h ASP 19 Cb 0.00 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 1kpp h ASP 19 CO 0.00 -0.26 0.10 0.25 -1.61 0.00 0.00 179.24 177.71 1kpp h LEU 20 N -0.40 0.09 0.08 2.28 6.46 -1.98 0.27 115.31 122.10 1kpp h LEU 20 Ca -0.02 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1kpp h LEU 20 Cb 0.35 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1kpp h LEU 20 CO 0.00 0.06 -0.04 0.74 -0.62 0.00 0.00 178.44 178.59 1kpp h THR 21 N 0.10 1.11 -0.48 1.05 2.02 -1.66 -2.72 112.91 112.33 1kpp h THR 21 Ca 0.06 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 65.74 1kpp h THR 21 Cb 0.11 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1kpp h THR 21 CO -0.01 0.32 0.11 0.58 0.37 0.00 0.00 175.52 176.89 1kpp h VAL 22 N -0.85 1.21 0.20 3.16 2.07 -0.04 -1.33 116.25 120.66 1kpp h VAL 22 Ca -0.01 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1kpp h VAL 22 Cb 0.60 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1kpp h VAL 22 CO 0.02 0.28 -0.09 -0.09 0.02 0.00 0.00 177.57 177.70 1kpp h ARG 23 N 0.71 -0.26 -0.45 1.57 1.12 -0.56 0.40 114.38 116.92 1kpp h ARG 23 Ca 0.16 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 59.01 1kpp h ARG 23 Cb 0.27 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.27 1kpp h ARG 23 CO -0.00 -0.06 0.12 0.93 -3.11 0.00 0.00 179.97 177.85 1kpp h GLU 24 N -0.41 0.67 -0.21 0.20 5.08 -1.36 0.43 114.58 118.99 1kpp h GLU 24 Ca -0.03 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1kpp h GLU 24 Cb 0.31 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1kpp h GLU 24 CO 0.04 0.60 -0.46 1.15 -1.00 0.00 0.00 179.01 179.35 1kpp h THR 25 N 0.65 1.31 0.07 1.13 2.02 -1.05 -2.95 112.91 114.09 1kpp h THR 25 Ca 0.15 -1.65 -0.13 0.00 0.77 0.00 0.00 66.41 65.55 1kpp h THR 25 Cb 0.23 1.65 0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1kpp h THR 25 CO -0.01 0.52 -0.59 1.62 0.37 0.00 0.00 175.52 177.43 1kpp h VAL 26 N 0.43 1.52 -0.69 3.16 3.04 -0.46 -2.92 116.25 120.34 1kpp h VAL 26 Ca 0.03 -2.42 0.20 0.00 -1.01 0.00 0.00 66.70 63.50 1kpp h VAL 26 Cb 0.97 3.14 -0.03 0.00 -2.01 0.00 0.00 31.29 33.36 1kpp h VAL 26 CO 0.09 0.64 0.49 0.78 -1.01 0.00 0.00 177.57 178.56 1kpp h ASN 27 N -0.67 0.02 0.00 3.17 2.35 -0.23 0.24 115.58 120.46 1kpp h ASN 27 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1kpp h ASN 27 Cb 1.37 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.74 1kpp h ASN 27 CO 0.05 0.01 -0.18 0.58 -1.65 0.00 0.00 177.43 176.24 1kpp h VAL 28 N 0.03 0.00 -0.97 2.81 2.07 -1.62 -3.11 116.25 115.46 1kpp h VAL 28 Ca 0.33 -0.82 0.15 0.00 0.82 0.00 0.00 66.70 67.17 1kpp h VAL 28 Cb 1.28 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 1kpp h VAL 28 CO -0.01 0.00 0.61 0.16 0.02 0.00 0.00 177.57 178.35 1kpp h ILE 29 N -0.82 0.84 -0.33 4.57 3.07 -1.35 0.43 117.51 123.92 1kpp h ILE 29 Ca 0.00 -0.29 -0.12 0.00 1.55 0.00 0.00 64.86 66.00 1kpp h ILE 29 Cb 0.18 -0.07 -0.01 0.00 -0.27 0.00 0.00 36.82 36.65 1kpp h ILE 29 CO 0.00 0.15 -0.31 0.00 -1.05 0.00 0.00 178.15 176.95 1kpp h THR 30 N 0.83 1.28 0.03 0.16 1.03 -0.69 0.59 112.91 116.14 1kpp h THR 30 Ca 0.50 -1.44 -0.00 0.00 -0.01 0.00 0.00 66.41 65.46 1kpp h THR 30 Cb 0.68 1.36 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1kpp h THR 30 CO -0.27 0.47 -0.02 -0.07 -0.01 0.00 0.00 175.52 175.62 1kpp h LEU 31 N 0.59 -0.04 -0.42 0.00 4.07 -1.04 -3.31 115.31 115.15 1kpp h LEU 31 Ca 0.07 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.39 1kpp h LEU 31 Cb 0.82 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1kpp h LEU 31 CO 0.07 0.73 0.00 1.88 -1.08 0.00 0.00 178.44 180.04 1kpp h TYR 32 N -0.92 0.00 0.00 1.13 -1.99 -0.29 -3.47 116.97 111.43 1kpp h TYR 32 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1kpp h TYR 32 Cb 0.68 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.41 1kpp h TYR 32 CO 0.17 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.96 1kpp n LYS 33 N -2.77 0.00 -0.27 4.88 5.02 0.21 -4.20 118.16 121.03 1kpp n LYS 33 Ca 0.03 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 1kpp n LYS 33 Cb 0.41 0.00 0.39 0.00 -0.02 0.00 0.00 35.03 35.81 1kpp n LYS 33 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1kpp h ASP 34 N 0.00 0.63 -2.75 4.39 3.04 -1.85 -3.41 116.42 116.47 1kpp h ASP 34 Ca 0.00 0.04 -0.52 0.00 -3.24 0.00 0.00 57.03 53.31 1kpp h ASP 34 Cb 0.00 -0.08 0.04 0.00 -1.04 0.00 0.00 39.33 38.25 1kpp h ASP 34 CO 0.00 0.31 0.94 -0.76 -2.04 0.00 0.00 179.24 177.69 1kpp s LEU 35 N -9.78 4.37 0.04 0.15 2.01 -1.26 -4.41 118.68 109.80 1kpp s LEU 35 Ca -0.10 2.67 0.06 0.00 0.01 0.00 0.00 54.13 56.78 1kpp s LEU 35 Cb 0.22 -3.59 -0.02 0.00 0.01 0.00 0.00 46.19 42.81 1kpp s LEU 35 CO 0.79 -0.88 -0.18 -0.54 1.01 0.00 0.00 176.35 176.54 1kpp s LYS 36 N 1.45 1.21 0.53 1.70 3.01 -0.12 -4.38 119.74 123.13 1kpp s LYS 36 Ca 0.72 -0.87 -0.15 0.00 -1.01 0.00 0.00 55.97 54.66 1kpp s LYS 36 Cb -0.45 -1.29 -0.07 0.00 -1.01 0.00 0.00 37.83 35.01 1kpp s LYS 36 CO 0.32 0.32 0.99 -1.25 0.51 0.00 0.00 175.35 176.24 1kpp s PRO 37 N -1.17 3.88 0.12 -1.68 0.04 -1.26 -1.74 135.00 133.18 1kpp s PRO 37 Ca 0.05 0.90 -0.09 0.00 0.04 0.00 0.00 61.00 61.90 1kpp s PRO 37 Cb -0.08 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 1kpp s PRO 37 CO 0.02 -0.32 0.24 0.08 0.04 0.00 0.00 177.00 177.06 1kpp s VAL 38 N -2.72 0.11 -0.28 -0.36 1.01 -0.16 -4.87 120.40 113.13 1kpp s VAL 38 Ca 0.58 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1kpp s VAL 38 Cb -0.10 -1.48 0.09 0.00 0.00 0.00 0.00 36.38 34.89 1kpp s VAL 38 CO 0.35 -0.51 0.09 -0.22 0.00 0.00 0.00 175.10 174.81 1kpp s LEU 39 N -2.89 1.67 -0.12 3.92 1.98 -1.26 -1.85 118.68 120.12 1kpp s LEU 39 Ca 0.09 -1.39 0.02 0.00 -2.89 0.00 0.00 54.13 49.96 1kpp s LEU 39 Cb 0.04 -0.70 -0.00 0.00 0.66 0.00 0.00 46.19 46.18 1kpp s LEU 39 CO -0.08 -0.40 -0.19 -0.62 -1.89 0.00 0.00 176.35 173.17 1kpp s ASP 40 N 1.77 3.44 0.38 3.68 -1.08 -0.51 -5.00 116.67 119.35 1kpp s ASP 40 Ca 0.07 -0.49 -0.24 0.00 -0.52 0.00 0.00 52.55 51.37 1kpp s ASP 40 Cb -0.17 -1.50 -0.10 0.00 -1.46 0.00 0.00 42.92 39.70 1kpp s ASP 40 CO -0.24 0.14 1.00 -0.55 0.52 0.00 0.00 175.17 176.04 1kpp s SER 41 N 0.48 6.99 -0.27 -0.34 0.15 -1.26 -2.22 113.70 117.23 1kpp s SER 41 Ca -0.13 1.92 -0.00 0.00 0.70 0.00 0.00 55.95 58.44 1kpp s SER 41 Cb -0.17 -2.58 0.15 0.00 -1.71 0.00 0.00 66.02 61.71 1kpp s SER 41 CO 0.05 -0.32 0.39 -0.47 1.20 0.00 0.00 173.24 174.09 1kpp s TYR 42 N -1.71 -0.92 1.22 3.44 6.14 0.91 -4.88 117.35 121.56 1kpp s TYR 42 Ca 0.56 0.53 -0.16 0.00 0.64 0.00 0.00 57.07 58.63 1kpp s TYR 42 Cb -0.19 -0.09 0.30 0.00 0.42 0.00 0.00 41.96 42.40 1kpp s TYR 42 CO 0.24 -0.87 1.01 0.14 0.64 0.00 0.00 175.55 176.72 1kpp s VAL 43 N 2.54 1.77 -0.47 3.14 -7.23 -1.26 -3.04 120.40 115.85 1kpp s VAL 43 Ca 0.11 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.31 1kpp s VAL 43 Cb -0.14 -2.16 0.13 0.00 0.56 0.00 0.00 36.38 34.78 1kpp s VAL 43 CO -0.24 0.00 0.24 -0.36 -0.31 0.00 0.00 175.10 174.43 1kpp s PHE 44 N -2.52 2.59 0.00 2.82 0.40 -1.16 -4.81 117.98 115.30 1kpp s PHE 44 Ca 0.68 -2.79 0.00 0.00 -0.60 0.00 0.00 56.93 54.22 1kpp s PHE 44 Cb -0.20 -2.36 0.00 0.00 0.51 0.00 0.00 43.02 40.97 1kpp s PHE 44 CO 0.62 -0.77 0.00 -1.71 0.70 0.00 0.00 175.22 174.06 1kpp n ASN 45 N 3.37 0.00 -1.25 1.36 2.85 -1.26 -2.33 115.26 117.99 1kpp n ASN 45 Ca 0.07 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1kpp n ASN 45 Cb 0.33 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.36 1kpp n ASN 45 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1kpp n ASP 46 N 1.80 -0.01 -0.03 1.20 5.68 -1.26 -5.01 116.55 118.92 1kpp n ASP 46 Ca 0.00 -0.75 0.01 0.00 -0.50 0.00 0.00 54.79 53.55 1kpp n ASP 46 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 1kpp n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kpp n GLY 47 N -0.01 -0.61 0.00 6.12 0.00 -0.99 -5.10 105.19 104.60 1kpp n GLY 47 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1kpp n GLY 47 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kpp n SER 48 N -2.18 0.00 -3.87 1.61 2.88 -1.26 -5.04 113.62 105.76 1kpp n SER 48 Ca -0.10 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.14 1kpp n SER 48 Cb 0.59 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.89 1kpp n SER 48 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1kpp s SER 49 N -4.00 3.96 -0.16 -3.46 0.01 -1.26 -2.97 113.70 105.83 1kpp s SER 49 Ca 0.00 -1.45 -0.19 0.00 1.31 0.00 0.00 55.95 55.63 1kpp s SER 49 Cb 0.00 -1.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.09 1kpp s SER 49 CO 0.00 -0.32 0.53 -0.60 0.41 0.00 0.00 173.24 173.26 1kpp s ARG 50 N 1.42 4.27 -0.91 12.44 6.06 -1.17 -4.91 118.95 136.16 1kpp s ARG 50 Ca 0.02 0.49 -0.19 0.00 -2.50 0.00 0.00 55.73 53.54 1kpp s ARG 50 Cb -0.18 -3.51 0.12 0.00 0.06 0.00 0.00 34.95 31.44 1kpp s ARG 50 CO -0.12 -0.02 1.13 -1.21 -2.50 0.00 0.00 175.30 172.57 1kpp s GLU 51 N 1.21 3.55 0.37 5.12 2.02 -1.26 -0.07 118.70 129.64 1kpp s GLU 51 Ca 0.26 -1.63 -0.10 0.00 0.02 0.00 0.00 54.97 53.52 1kpp s GLU 51 Cb -0.15 -4.87 -0.07 0.00 0.10 0.00 0.00 34.13 29.14 1kpp s GLU 51 CO 0.11 -1.80 0.73 -0.51 0.02 0.00 0.00 175.26 173.81 1kpp s LEU 52 N 2.96 3.90 0.01 1.80 2.01 -0.94 -4.93 118.68 123.49 1kpp s LEU 52 Ca 0.32 1.10 0.00 0.00 0.01 0.00 0.00 54.13 55.56 1kpp s LEU 52 Cb -0.06 -3.95 -0.04 0.00 0.01 0.00 0.00 46.19 42.15 1kpp s LEU 52 CO -0.07 -0.34 0.06 -0.04 1.01 0.00 0.00 176.35 176.97 1kpp s MET 53 N -3.66 2.97 -0.03 1.70 -1.94 -1.26 -1.42 119.30 115.66 1kpp s MET 53 Ca 0.51 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.96 1kpp s MET 53 Cb -0.10 -2.80 0.02 0.00 2.01 0.00 0.00 34.83 33.96 1kpp s MET 53 CO 0.29 0.63 -0.02 0.54 -0.01 0.00 0.00 175.02 176.45 1kpp s ASN 54 N -1.76 0.56 -0.32 3.03 2.20 -0.77 -1.68 114.94 116.20 1kpp s ASN 54 Ca 0.23 -0.07 -0.11 0.00 -0.94 0.00 0.00 52.86 51.97 1kpp s ASN 54 Cb -0.12 -0.23 -0.02 0.00 -2.00 0.00 0.00 41.25 38.88 1kpp s ASN 54 CO 0.14 -0.04 0.20 -0.76 -2.94 0.00 0.00 177.10 173.70 1kpp s LEU 55 N 0.66 4.31 0.03 3.54 1.43 -1.13 -0.99 118.68 126.52 1kpp s LEU 55 Ca -0.07 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1kpp s LEU 55 Cb -0.10 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1kpp s LEU 55 CO -0.01 -0.20 -0.21 0.28 0.23 0.00 0.00 176.35 176.44 1kpp s THR 56 N 1.69 2.52 -0.21 5.49 -1.32 -0.71 0.69 115.64 123.79 1kpp s THR 56 Ca 0.06 -1.20 -0.36 0.00 -1.21 0.00 0.00 61.69 58.97 1kpp s THR 56 Cb -0.17 -2.01 0.15 0.00 -1.51 0.00 0.00 72.50 68.97 1kpp s THR 56 CO 0.09 0.40 1.41 -0.83 -2.21 0.00 0.00 174.62 173.48 1kpp s GLY 57 N -1.21 -0.32 -0.05 6.08 0.00 -0.92 -0.94 107.32 109.96 1kpp s GLY 57 Ca 0.13 1.53 0.03 0.00 0.00 0.00 0.00 44.72 46.42 1kpp s GLY 57 CO 0.03 0.45 -0.14 -0.51 0.00 0.00 0.00 173.10 172.93 1kpp s THR 58 N -2.03 3.09 0.22 0.90 -4.23 -1.26 -1.23 115.64 111.10 1kpp s THR 58 Ca 0.13 -0.71 0.11 0.00 -1.18 0.00 0.00 61.69 60.04 1kpp s THR 58 Cb 0.03 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 1kpp s THR 58 CO -0.04 0.59 -0.21 0.27 -0.54 0.00 0.00 174.62 174.69 1kpp s ILE 59 N -0.74 2.24 0.30 2.99 -0.00 -1.13 -4.67 121.20 120.20 1kpp s ILE 59 Ca 0.12 -2.14 -0.29 0.00 -0.00 0.00 0.00 60.65 58.33 1kpp s ILE 59 Cb -0.11 -2.12 -0.11 0.00 -0.00 0.00 0.00 42.46 40.13 1kpp s ILE 59 CO 0.01 -0.28 1.50 -2.16 -0.00 0.00 0.00 174.94 174.01 1kpp s PRO 60 N -3.03 4.18 -0.33 0.37 0.04 -1.26 -2.23 135.00 132.75 1kpp s PRO 60 Ca 0.23 2.47 0.04 0.00 0.04 0.00 0.00 61.00 63.77 1kpp s PRO 60 Cb -0.06 -3.04 0.16 0.00 0.04 0.00 0.00 34.50 31.61 1kpp s PRO 60 CO 0.11 -0.51 0.45 0.08 0.04 0.00 0.00 177.00 177.16 1kpp s VAL 61 N -0.38 -0.63 0.12 -0.36 1.01 -1.13 -4.86 120.40 114.18 1kpp s VAL 61 Ca 0.58 -0.43 -0.35 0.00 0.00 0.00 0.00 61.98 61.78 1kpp s VAL 61 Cb -0.45 -0.74 -0.16 0.00 0.00 0.00 0.00 36.38 35.03 1kpp s VAL 61 CO 0.51 -0.31 1.40 -2.65 0.00 0.00 0.00 175.10 174.05 1kpp n PRO 62 N 4.89 1.48 0.00 2.72 -0.02 -1.26 -2.13 135.00 140.69 1kpp n PRO 62 Ca 0.05 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1kpp n PRO 62 Cb 0.50 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 2.71 0.00 -1.14 6.00 9.36 -0.89 -4.81 117.16 128.39 1kpp n TYR 63 Ca 0.18 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 61.12 1kpp n TYR 63 Cb 0.23 0.10 0.08 0.00 -0.63 0.00 0.00 39.34 39.12 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 -1.78 2.35 0.00 2.98 1.74 -1.26 -4.78 116.66 115.90 1kpp n ARG 64 Ca 0.00 -2.69 0.00 0.00 -0.77 0.00 0.00 57.85 54.39 1kpp n ARG 64 Cb 0.00 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 1kpp n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kpp n GLY 65 N -0.54 3.25 3.71 -0.13 0.00 -1.26 -5.03 105.19 105.19 1kpp n GLY 65 Ca 0.52 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.30 1kpp n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kpp s ASN 66 N -0.40 4.57 0.19 1.61 2.47 -1.26 -5.04 114.94 117.08 1kpp s ASN 66 Ca 0.00 -0.82 -0.30 0.00 0.42 0.00 0.00 52.86 52.16 1kpp s ASN 66 Cb 0.00 -0.69 -0.08 0.00 -1.45 0.00 0.00 41.25 39.03 1kpp s ASN 66 CO 0.00 -0.28 1.19 -0.89 -3.72 0.00 0.00 177.10 173.40 1kpp s THR 67 N -2.44 3.56 0.00 -5.21 2.01 -1.26 -2.09 115.64 110.21 1kpp s THR 67 Ca 0.37 1.34 0.00 0.00 0.31 0.00 0.00 61.69 63.70 1kpp s THR 67 Cb -0.02 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1kpp s THR 67 CO 0.22 0.22 0.00 0.00 -0.69 0.00 0.00 174.62 174.37 1kpp n TYR 68 N 2.38 -1.68 -3.54 4.92 9.36 -0.90 -4.82 117.16 122.88 1kpp n TYR 68 Ca 0.04 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.97 1kpp n TYR 68 Cb 0.45 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.02 1kpp n TYR 68 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1kpp s ASN 69 N -0.92 3.35 -0.50 2.98 4.22 -1.26 -2.82 114.94 119.98 1kpp s ASN 69 Ca 0.00 -1.84 -0.20 0.00 -2.14 0.00 0.00 52.86 48.67 1kpp s ASN 69 Cb 0.00 -0.49 0.05 0.00 1.28 0.00 0.00 41.25 42.09 1kpp s ASN 69 CO 0.00 -0.36 0.68 -0.63 -2.04 0.00 0.00 177.10 174.75 1kpp s ILE 70 N 1.44 4.78 0.68 0.54 -1.09 -0.95 -4.84 121.20 121.76 1kpp s ILE 70 Ca 0.14 -0.22 -0.13 0.00 -2.23 0.00 0.00 60.65 58.20 1kpp s ILE 70 Cb -0.20 -4.31 0.01 0.00 -1.58 0.00 0.00 42.46 36.37 1kpp s ILE 70 CO -0.15 -0.80 1.08 -2.16 -1.23 0.00 0.00 174.94 171.68 1kpp s PRO 71 N 2.89 2.81 0.37 2.79 0.04 -1.26 -2.83 135.00 139.81 1kpp s PRO 71 Ca 0.19 1.22 -0.14 0.00 0.04 0.00 0.00 61.00 62.31 1kpp s PRO 71 Cb -0.17 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1kpp s PRO 71 CO 0.15 -1.22 0.74 0.96 0.04 0.00 0.00 177.00 177.67 1kpp s ILE 72 N -2.61 0.00 0.09 0.56 -4.36 -0.37 -4.21 121.20 110.30 1kpp s ILE 72 Ca 0.63 -1.09 -0.08 0.00 -0.26 0.00 0.00 60.65 59.86 1kpp s ILE 72 Cb -0.18 -2.77 -0.01 0.00 1.25 0.00 0.00 42.46 40.75 1kpp s ILE 72 CO 0.46 0.00 0.16 0.00 0.24 0.00 0.00 174.94 175.80 1kpp s LEU 74 N -2.87 2.42 0.04 0.00 0.20 0.22 -1.99 118.68 116.69 1kpp s LEU 74 Ca 0.06 -1.10 0.04 0.00 0.69 0.00 0.00 54.13 53.82 1kpp s LEU 74 Cb 0.05 -0.42 -0.02 0.00 -0.43 0.00 0.00 46.19 45.37 1kpp s LEU 74 CO -0.10 -0.36 -0.13 0.26 -0.29 0.00 0.00 176.35 175.72 1kpp s TRP 75 N -3.25 1.14 0.10 5.38 0.23 0.83 -2.84 118.94 120.53 1kpp s TRP 75 Ca 0.23 -0.35 0.01 0.00 -2.03 0.00 0.00 56.10 53.96 1kpp s TRP 75 Cb 0.03 -0.68 -0.04 0.00 0.03 0.00 0.00 33.47 32.81 1kpp s TRP 75 CO 0.06 0.02 -0.04 -1.17 0.96 0.00 0.00 176.95 176.78 1kpp s LEU 76 N -1.11 2.41 0.29 2.99 2.96 -0.68 -1.51 118.68 124.03 1kpp s LEU 76 Ca 0.01 -1.04 0.05 0.00 -0.22 0.00 0.00 54.13 52.92 1kpp s LEU 76 Cb -0.08 0.01 -0.06 0.00 0.50 0.00 0.00 46.19 46.56 1kpp s LEU 76 CO 0.01 -0.52 0.01 -1.48 -1.32 0.00 0.00 176.35 173.05 1kpp s LEU 77 N -3.03 2.28 -0.18 -0.68 -0.00 -1.26 -4.26 118.68 111.54 1kpp s LEU 77 Ca 0.13 -1.28 -0.05 0.00 -0.00 0.00 0.00 54.13 52.93 1kpp s LEU 77 Cb 0.06 -0.43 -0.22 0.00 -0.00 0.00 0.00 46.19 45.60 1kpp s LEU 77 CO -0.04 -0.51 0.14 0.47 -0.00 0.00 0.00 176.35 176.41 1kpp n ASP 78 N -0.59 2.06 0.00 1.48 9.92 -1.26 -4.91 116.55 123.25 1kpp n ASP 78 Ca -0.04 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1kpp n ASP 78 Cb 0.65 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 1kpp n ASP 78 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1kpp n THR 79 N -3.47 0.00 -4.31 -3.53 -2.24 -1.26 -2.72 114.28 96.75 1kpp n THR 79 Ca -0.37 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.15 1kpp n THR 79 Cb 1.01 -0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.15 1kpp n THR 79 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1kpp s TYR 80 N -1.85 2.57 -0.09 4.78 2.02 -1.26 -4.34 117.35 119.18 1kpp s TYR 80 Ca 0.00 -0.55 0.07 0.00 -0.37 0.00 0.00 57.07 56.22 1kpp s TYR 80 Cb 0.00 -1.75 -0.24 0.00 -0.40 0.00 0.00 41.96 39.57 1kpp s TYR 80 CO 0.00 0.35 0.48 -0.35 -1.57 0.00 0.00 175.55 174.46 1kpp n PRO 81 N -1.08 0.68 0.00 -1.71 -0.04 -1.26 -4.75 135.00 126.84 1kpp n PRO 81 Ca -0.03 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1kpp n PRO 81 Cb 0.64 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1kpp n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1kpp n TYR 82 N -3.16 0.00 0.00 0.54 4.01 -1.26 -5.05 117.16 112.24 1kpp n TYR 82 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1kpp n TYR 82 Cb 1.06 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 1kpp n TYR 82 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1kpp n ASN 83 N -1.89 0.00 -4.73 7.72 5.15 -1.26 -5.11 115.26 115.14 1kpp n ASN 83 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 1kpp n ASN 83 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1kpp s PRO 84 N 0.00 4.54 0.27 1.20 0.04 -1.26 -4.75 135.00 135.05 1kpp s PRO 84 Ca 0.00 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 1kpp s PRO 84 Cb 0.00 -3.31 -0.14 0.00 0.04 0.00 0.00 34.50 31.09 1kpp s PRO 84 CO 0.00 -0.03 1.09 -2.30 0.04 0.00 0.00 177.00 175.80 1kpp n PRO 85 N 2.96 1.46 -3.94 0.56 -0.02 -1.26 -4.92 135.00 129.84 1kpp n PRO 85 Ca 0.05 0.51 -0.22 0.00 -2.02 0.00 0.00 63.50 61.83 1kpp n PRO 85 Cb 0.47 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 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 -0.85 5.26 0.01 4.25 1.01 -0.57 -4.95 121.20 125.35 1kpp s ILE 86 Ca 0.61 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1kpp s ILE 86 Cb -0.70 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 1kpp s ILE 86 CO 0.58 -0.31 -0.18 0.00 0.00 0.00 0.00 174.94 175.03 1kpp n PHE 88 N 2.38 -0.76 -4.63 0.00 3.01 -0.84 -3.20 117.46 113.43 1kpp n PHE 88 Ca -0.16 -2.00 -0.29 0.00 1.01 0.00 0.00 57.45 56.01 1kpp n PHE 88 Cb 0.54 0.27 -0.10 0.00 -0.01 0.00 0.00 39.48 40.18 1kpp n PHE 88 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1kpp s VAL 89 N -2.93 1.84 -0.29 -4.37 -7.23 -0.51 -2.53 120.40 104.37 1kpp s VAL 89 Ca 0.28 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 1kpp s VAL 89 Cb 0.01 -2.83 0.10 0.00 0.56 0.00 0.00 36.38 34.22 1kpp s VAL 89 CO 0.20 0.00 0.12 -0.75 -0.31 0.00 0.00 175.10 174.36 1kpp s LYS 90 N -3.75 0.28 0.90 4.82 2.36 -1.26 -4.51 119.74 118.58 1kpp s LYS 90 Ca 0.29 -0.62 -0.11 0.00 -2.55 0.00 0.00 55.97 52.98 1kpp s LYS 90 Cb 0.08 -1.29 0.13 0.00 -1.05 0.00 0.00 37.83 35.70 1kpp s LYS 90 CO 0.15 -1.02 1.09 -1.25 1.55 0.00 0.00 175.35 175.88 1kpp s PRO 91 N 2.02 1.19 0.50 4.03 0.04 -1.26 -4.60 135.00 136.93 1kpp s PRO 91 Ca 0.09 0.85 0.03 0.00 0.04 0.00 0.00 61.00 62.01 1kpp s PRO 91 Cb -0.16 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1kpp s PRO 91 CO -0.35 -2.29 0.12 0.95 0.04 0.00 0.00 177.00 175.47 1kpp s THR 92 N -2.91 1.45 0.05 1.26 -4.23 -1.26 -5.05 115.64 104.95 1kpp s THR 92 Ca 0.64 -1.84 0.06 0.00 -1.18 0.00 0.00 61.69 59.37 1kpp s THR 92 Cb -0.18 -2.29 -0.23 0.00 1.34 0.00 0.00 72.50 71.14 1kpp s THR 92 CO 0.57 0.00 1.02 -1.28 -0.54 0.00 0.00 174.62 174.39 1kpp h SER 93 N 1.23 0.08 0.88 3.99 0.87 -1.99 -3.33 113.55 115.29 1kpp h SER 93 Ca -0.42 -0.11 -0.22 0.00 -1.23 0.00 0.00 61.79 59.80 1kpp h SER 93 Cb 1.30 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.20 1kpp h SER 93 CO 0.70 1.09 -1.18 -1.28 -0.53 0.00 0.00 176.83 175.63 1kpp h SER 94 N 0.01 0.00 -5.27 6.23 0.87 -2.03 -3.47 113.55 109.89 1kpp h SER 94 Ca -0.14 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.89 1kpp h SER 94 Cb 1.89 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.79 1kpp h SER 94 CO 0.12 0.95 -0.30 0.23 -0.53 0.00 0.00 176.83 177.30 1kpp n MET 95 N -3.24 0.83 -1.29 2.24 2.00 -1.25 -5.16 117.12 111.25 1kpp n MET 95 Ca -0.05 -3.09 0.00 0.00 0.00 0.00 0.00 57.70 54.56 1kpp n MET 95 Cb 0.95 0.52 0.00 0.00 0.00 0.00 0.00 33.22 34.69 1kpp n MET 95 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1kpp n THR 96 N -1.44 0.00 -4.07 2.03 5.66 -1.04 -4.15 114.28 111.27 1kpp n THR 96 Ca -0.08 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.58 1kpp n THR 96 Cb 0.55 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.18 1kpp n THR 96 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1kpp s ILE 97 N -0.63 2.81 -0.02 1.09 2.07 -1.25 -4.40 121.20 120.87 1kpp s ILE 97 Ca 0.00 -0.69 -0.30 0.00 -1.41 0.00 0.00 60.65 58.25 1kpp s ILE 97 Cb 0.00 -2.24 -0.04 0.00 0.13 0.00 0.00 42.46 40.31 1kpp s ILE 97 CO 0.00 0.48 1.15 -0.75 -1.91 0.00 0.00 174.94 173.91 1kpp s LYS 98 N 1.31 4.41 -0.19 3.50 2.20 -0.97 -4.78 119.74 125.23 1kpp s LYS 98 Ca 0.04 1.64 -0.11 0.00 -0.36 0.00 0.00 55.97 57.17 1kpp s LYS 98 Cb -0.14 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 1kpp s LYS 98 CO -0.06 -0.32 0.19 0.95 -0.36 0.00 0.00 175.35 175.74 1kpp s THR 99 N 1.67 5.37 0.00 3.43 -4.23 -1.24 -4.47 115.64 116.17 1kpp s THR 99 Ca 0.55 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 1kpp s THR 99 Cb -0.25 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.06 1kpp s THR 99 CO 0.25 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 1kpp n GLY 100 N 3.50 0.75 0.13 3.99 0.00 -1.00 -4.96 105.19 107.59 1kpp n GLY 100 Ca -0.15 0.40 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 1kpp n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kpp n LYS 101 N 0.00 0.58 -0.05 1.61 4.01 -1.26 -4.20 118.16 118.85 1kpp n LYS 101 Ca 0.00 0.25 -0.14 0.00 -0.51 0.00 0.00 58.31 57.92 1kpp n LYS 101 Cb 0.00 -1.48 -0.08 0.00 -0.51 0.00 0.00 35.03 32.96 1kpp n LYS 101 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1kpp h HIS 102 N -1.00 0.42 -2.99 2.13 2.76 -1.87 -3.35 115.15 111.25 1kpp h HIS 102 Ca -0.62 -0.14 -0.66 0.00 -2.20 0.00 0.00 60.37 56.74 1kpp h HIS 102 Cb 1.54 -0.08 -0.39 0.00 1.55 0.00 0.00 27.41 30.04 1kpp h HIS 102 CO -0.13 0.79 -0.30 0.28 -1.30 0.00 0.00 177.93 177.27 1kpp n VAL 103 N -4.53 2.57 -0.58 5.26 0.31 -1.26 -0.14 118.33 119.97 1kpp n VAL 103 Ca -0.07 -5.11 -0.24 0.00 -0.01 0.00 0.00 64.34 58.91 1kpp n VAL 103 Cb 0.40 -2.24 0.16 0.00 -0.91 0.00 0.00 33.84 31.24 1kpp n VAL 103 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kpp n ASP 104 N 1.82 -2.86 0.24 4.52 8.00 -1.18 -2.38 116.55 124.71 1kpp n ASP 104 Ca 0.23 -0.32 0.15 0.00 0.71 0.00 0.00 54.79 55.57 1kpp n ASP 104 Cb 0.37 -0.82 0.83 0.00 -0.02 0.00 0.00 41.12 41.47 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kpp h ALA 105 N -2.47 1.77 -0.44 2.24 0.00 -1.87 0.58 119.26 119.06 1kpp h ALA 105 Ca -0.35 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1kpp h ALA 105 Cb 1.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1kpp h ALA 105 CO 0.23 -0.16 0.04 0.09 0.00 0.00 0.00 179.25 179.46 1kpp n ASN 106 N -3.96 4.33 -3.96 0.00 5.03 -1.26 -4.91 115.26 110.53 1kpp n ASN 106 Ca -0.00 -2.71 -0.29 0.00 0.87 0.00 0.00 54.58 52.44 1kpp n ASN 106 Cb 0.21 -0.65 0.01 0.00 -1.02 0.00 0.00 39.78 38.33 1kpp n ASN 106 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kpp n GLY 107 N 0.34 -0.40 3.51 7.41 0.00 0.20 -4.89 105.19 111.36 1kpp n GLY 107 Ca 0.22 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 1kpp n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kpp s LYS 108 N -6.57 3.74 -0.28 1.61 1.02 -1.26 -1.43 119.74 116.58 1kpp s LYS 108 Ca 0.44 -0.45 -0.28 0.00 0.02 0.00 0.00 55.97 55.70 1kpp s LYS 108 Cb -0.23 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 1kpp s LYS 108 CO 0.86 0.03 1.89 0.42 -0.92 0.00 0.00 175.35 177.63 1kpp s ILE 109 N 1.01 3.37 -0.42 2.17 1.01 -1.19 -3.08 121.20 124.07 1kpp s ILE 109 Ca 0.03 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.09 1kpp s ILE 109 Cb -0.14 -3.48 0.12 0.00 0.01 0.00 0.00 42.46 38.97 1kpp s ILE 109 CO 0.03 -0.29 0.17 -0.31 0.00 0.00 0.00 174.94 174.53 1kpp s TYR 110 N 7.03 2.86 -0.13 3.97 1.51 0.81 -4.85 117.35 128.55 1kpp s TYR 110 Ca 0.84 -2.75 -0.03 0.00 -1.01 0.00 0.00 57.07 54.12 1kpp s TYR 110 Cb -0.26 -2.48 -0.03 0.00 -0.11 0.00 0.00 41.96 39.08 1kpp s TYR 110 CO 0.34 -0.83 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.42 1kpp s LEU 111 N 0.48 3.42 0.46 -1.29 1.43 -1.26 -3.45 118.68 118.46 1kpp s LEU 111 Ca 0.14 -0.01 0.13 0.00 -1.03 0.00 0.00 54.13 53.36 1kpp s LEU 111 Cb -0.22 -1.81 1.07 0.00 0.03 0.00 0.00 46.19 45.25 1kpp s LEU 111 CO -0.06 0.25 2.06 -0.65 0.23 0.00 0.00 176.35 178.18 1kpp h PRO 112 N 6.13 0.31 0.02 1.29 0.11 -1.99 -2.62 132.00 135.25 1kpp h PRO 112 Ca -0.39 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.72 1kpp h PRO 112 Cb 1.19 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1kpp h PRO 112 CO 0.61 0.20 -0.16 1.88 -0.21 0.00 0.00 178.00 180.32 1kpp h TYR 113 N 0.31 -0.41 -0.26 0.65 0.05 -1.96 -1.45 116.97 113.92 1kpp h TYR 113 Ca 0.15 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1kpp h TYR 113 Cb 0.22 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1kpp h TYR 113 CO -0.00 -0.23 0.13 1.25 -1.05 0.00 0.00 178.16 178.26 1kpp h LEU 114 N -0.27 0.31 -0.58 3.88 5.85 -1.86 -1.48 115.31 121.17 1kpp h LEU 114 Ca 0.05 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1kpp h LEU 114 Cb 0.33 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1kpp h LEU 114 CO -0.14 0.26 0.33 -0.74 -0.34 0.00 0.00 178.44 177.81 1kpp h HIS 115 N 0.35 0.78 -0.75 1.25 2.76 -1.10 -2.17 115.15 116.26 1kpp h HIS 115 Ca 0.09 -0.01 -0.27 0.00 -2.20 0.00 0.00 60.37 57.98 1kpp h HIS 115 Cb 0.02 -0.25 -0.16 0.00 1.55 0.00 0.00 27.41 28.57 1kpp h HIS 115 CO 0.00 0.55 0.35 -1.91 -1.30 0.00 0.00 177.93 175.62 1kpp n GLU 116 N -4.61 3.22 -3.65 5.26 4.07 -0.75 -4.92 120.64 119.26 1kpp n GLU 116 Ca 0.04 -2.84 -0.36 0.00 -0.06 0.00 0.00 57.16 53.94 1kpp n GLU 116 Cb 0.07 -2.14 -0.08 0.00 -0.06 0.00 0.00 31.44 29.23 1kpp n GLU 116 CO 0.00 0.00 0.00 -0.46 -0.06 0.00 0.00 177.13 176.61 1kpp s TRP 117 N -2.87 3.42 -0.26 4.31 -0.11 -0.62 -5.03 118.94 117.78 1kpp s TRP 117 Ca 0.52 0.42 -0.03 0.00 1.22 0.00 0.00 56.10 58.23 1kpp s TRP 117 Cb 0.42 -2.24 0.08 0.00 -1.50 0.00 0.00 33.47 30.23 1kpp s TRP 117 CO 0.12 0.24 0.09 0.21 -4.62 0.00 0.00 176.95 172.99 1kpp s LYS 118 N 0.48 0.48 1.12 5.86 2.36 -1.26 -5.00 119.74 123.78 1kpp s LYS 118 Ca 0.11 -0.63 -0.16 0.00 -2.55 0.00 0.00 55.97 52.74 1kpp s LYS 118 Cb -0.12 -1.76 0.22 0.00 -1.05 0.00 0.00 37.83 35.12 1kpp s LYS 118 CO 0.01 -0.87 0.45 -2.39 1.55 0.00 0.00 175.35 174.09 1kpp n HIS 119 N 5.07 -2.59 1.06 4.03 1.44 -1.26 -3.91 115.22 119.06 1kpp n HIS 119 Ca -0.06 -0.18 0.05 0.00 -2.01 0.00 0.00 57.72 55.52 1kpp n HIS 119 Cb 0.44 -1.39 0.30 0.00 0.12 0.00 0.00 29.99 29.46 1kpp n HIS 119 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1kpp n PRO 120 N -2.76 0.53 0.00 -1.40 -0.04 -1.26 -4.80 135.00 125.27 1kpp n PRO 120 Ca 0.07 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1kpp n PRO 120 Cb 0.42 -1.30 0.51 0.00 -0.04 0.00 0.00 33.50 33.10 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 -0.80 0.47 -3.42 0.54 10.64 -1.25 -4.76 117.38 118.80 1kpp n GLN 121 Ca 0.08 0.04 -0.28 0.00 -1.83 0.00 0.00 57.00 55.01 1kpp n GLN 121 Cb 0.03 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 27.89 1kpp n GLN 121 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1kpp s SER 122 N -2.18 6.42 0.18 2.61 0.15 -1.26 -5.02 113.70 114.59 1kpp s SER 122 Ca 0.24 0.62 -0.23 0.00 0.70 0.00 0.00 55.95 57.28 1kpp s SER 122 Cb 0.12 -2.10 0.06 0.00 -1.71 0.00 0.00 66.02 62.39 1kpp s SER 122 CO 0.23 -0.17 0.66 -1.81 1.20 0.00 0.00 173.24 173.35 1kpp s ASP 123 N -3.25 -0.47 0.08 5.45 1.01 -1.26 -4.93 116.67 113.30 1kpp s ASP 123 Ca 0.42 -0.16 -0.10 0.00 0.71 0.00 0.00 52.55 53.42 1kpp s ASP 123 Cb -0.11 0.61 -0.24 0.00 1.01 0.00 0.00 42.92 44.20 1kpp s ASP 123 CO 0.30 -1.03 1.16 0.25 0.21 0.00 0.00 175.17 176.06 1kpp h LEU 124 N 2.00 0.71 0.02 1.23 5.85 -1.98 -2.67 115.31 120.47 1kpp h LEU 124 Ca -0.29 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 57.80 1kpp h LEU 124 Cb 1.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1kpp h LEU 124 CO 0.33 1.47 -0.12 -0.07 -0.34 0.00 0.00 178.44 179.72 1kpp h LEU 125 N 0.23 -0.33 -1.21 2.25 4.07 -1.95 -2.16 115.31 116.21 1kpp h LEU 125 Ca -0.15 0.05 -0.08 0.00 0.08 0.00 0.00 57.88 57.77 1kpp h LEU 125 Cb 1.84 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 43.70 1kpp h LEU 125 CO 0.21 -0.17 -0.39 1.23 -1.08 0.00 0.00 178.44 178.25 1kpp h GLY 126 N -0.21 0.00 1.34 0.83 0.00 -1.99 -2.66 103.07 100.39 1kpp h GLY 126 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.45 1kpp h GLY 126 CO -0.10 0.00 0.25 -2.00 0.00 0.00 0.00 176.54 174.69 1kpp h LEU 127 N 0.00 0.08 0.00 3.11 5.85 -1.02 0.39 115.31 123.72 1kpp h LEU 127 Ca -0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1kpp h LEU 127 Cb 0.70 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1kpp h LEU 127 CO 0.05 0.05 -0.90 0.40 -0.34 0.00 0.00 178.44 177.70 1kpp h ILE 128 N 0.09 0.98 -0.28 4.05 1.08 -1.22 -3.34 117.51 118.87 1kpp h ILE 128 Ca 0.17 -2.49 -0.03 0.00 -0.39 0.00 0.00 64.86 62.12 1kpp h ILE 128 Cb 0.55 2.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 1kpp h ILE 128 CO -0.02 0.56 0.06 -0.61 -0.69 0.00 0.00 178.15 177.46 1kpp h GLN 129 N 0.00 0.46 -0.79 2.37 5.75 -0.86 -2.96 115.11 119.07 1kpp h GLN 129 Ca -0.06 -0.12 0.19 0.00 -0.15 0.00 0.00 58.65 58.51 1kpp h GLN 129 Cb 1.56 -0.06 -0.12 0.00 1.07 0.00 0.00 27.48 29.93 1kpp h GLN 129 CO 0.08 0.55 0.17 -0.24 -2.65 0.00 0.00 178.83 176.74 1kpp h VAL 130 N 0.29 0.42 -0.58 2.39 3.04 -1.58 0.83 116.25 121.05 1kpp h VAL 130 Ca 0.09 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.67 1kpp h VAL 130 Cb 0.31 0.17 -0.03 0.00 -2.01 0.00 0.00 31.29 29.73 1kpp h VAL 130 CO 0.00 0.04 0.25 0.24 -1.01 0.00 0.00 177.57 177.09 1kpp h MET 131 N 0.22 0.86 -0.49 4.17 2.86 -1.70 0.15 114.93 121.00 1kpp h MET 131 Ca 0.46 -0.15 0.14 0.00 -2.06 0.00 0.00 59.70 58.10 1kpp h MET 131 Cb 0.85 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1kpp h MET 131 CO -0.59 0.73 0.45 0.97 1.06 0.00 0.00 176.91 179.53 1kpp h ILE 132 N 0.80 0.47 0.00 -1.22 2.10 -0.68 0.62 117.51 119.60 1kpp h ILE 132 Ca 0.20 0.00 -0.24 0.00 1.08 0.00 0.00 64.86 65.90 1kpp h ILE 132 Cb 0.18 0.65 -0.04 0.00 -1.09 0.00 0.00 36.82 36.53 1kpp h ILE 132 CO -0.02 0.00 -1.49 0.52 -1.08 0.00 0.00 178.15 176.08 1kpp n VAL 133 N -3.91 1.51 -0.24 2.19 0.31 -0.83 -2.79 118.33 114.57 1kpp n VAL 133 Ca 0.09 -0.07 0.12 0.00 -0.01 0.00 0.00 64.34 64.47 1kpp n VAL 133 Cb 0.66 -2.09 0.40 0.00 -0.91 0.00 0.00 33.84 31.90 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 0.85 0.00 2.52 2.07 -0.33 0.10 116.25 120.46 1kpp h VAL 134 Ca -0.36 -0.22 -0.20 0.00 0.82 0.00 0.00 66.70 66.75 1kpp h VAL 134 Cb 1.23 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1kpp h VAL 134 CO -0.22 0.12 -0.99 -0.26 0.02 0.00 0.00 177.57 176.24 1kpp h PHE 135 N 0.64 0.00 0.00 1.57 -1.00 0.05 -3.22 116.94 114.97 1kpp h PHE 135 Ca 0.42 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.20 1kpp h PHE 135 Cb 0.70 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1kpp h PHE 135 CO -0.00 0.88 0.00 0.41 -1.61 0.00 0.00 178.31 177.99 1kpp n GLY 136 N 1.35 -1.03 0.13 -1.45 0.00 0.31 -3.05 105.19 101.45 1kpp n GLY 136 Ca -0.02 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1kpp n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kpp n ASP 137 N -1.78 1.97 -3.29 1.61 9.92 -0.90 -4.70 116.55 119.39 1kpp n ASP 137 Ca 0.02 0.23 -0.05 0.00 -0.53 0.00 0.00 54.79 54.47 1kpp n ASP 137 Cb 0.16 -0.78 -0.06 0.00 -0.64 0.00 0.00 41.12 39.80 1kpp n ASP 137 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1kpp s GLU 138 N -2.48 0.42 -0.11 -1.24 2.12 -1.17 -5.11 118.70 111.13 1kpp s GLU 138 Ca -0.32 0.64 -0.31 0.00 0.36 0.00 0.00 54.97 55.33 1kpp s GLU 138 Cb 0.09 -0.16 -0.09 0.00 0.26 0.00 0.00 34.13 34.23 1kpp s GLU 138 CO 0.60 -0.67 2.03 -2.30 -0.54 0.00 0.00 175.26 174.38 1kpp n PRO 139 N 5.38 2.23 -1.13 4.30 -0.02 -1.23 -4.67 135.00 139.86 1kpp n PRO 139 Ca -0.02 0.76 -0.20 0.00 -2.02 0.00 0.00 63.50 62.02 1kpp n PRO 139 Cb 0.50 -2.90 -0.02 0.00 -0.02 0.00 0.00 33.50 31.07 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 7.64 2.03 0.00 0.52 -0.04 -1.26 -3.93 135.00 139.96 1kpp n PRO 140 Ca 0.26 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 1kpp n PRO 140 Cb 0.36 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1kpp n PRO 140 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kpp n VAL 141 N 0.78 0.00 -0.06 0.52 0.31 -1.26 -2.29 118.33 116.33 1kpp n VAL 141 Ca 0.38 -0.38 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1kpp n VAL 141 Cb 0.59 1.07 -0.01 0.00 -0.91 0.00 0.00 33.84 34.58 1kpp n VAL 141 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1kpp n PHE 142 N -0.54 0.83 -2.34 3.52 -0.00 -1.25 -2.48 117.46 115.19 1kpp n PHE 142 Ca 0.00 0.36 -0.05 0.00 -0.00 0.00 0.00 57.45 57.75 1kpp n PHE 142 Cb 0.02 -0.72 0.03 0.00 -0.00 0.00 0.00 39.48 38.81 1kpp n PHE 142 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1kpp n SER 143 N -4.38 -2.53 -3.52 -2.13 2.88 -1.26 -4.65 113.62 98.02 1kpp n SER 143 Ca -0.07 -0.22 -0.29 0.00 -1.33 0.00 0.00 58.87 56.97 1kpp n SER 143 Cb 0.24 -2.04 -0.12 0.00 -0.75 0.00 0.00 64.21 61.54 1kpp n SER 143 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1kpp s ARG 144 N -4.12 0.81 0.00 -1.46 3.52 -1.26 -5.00 118.95 111.44 1kpp s ARG 144 Ca 0.05 -1.62 0.00 0.00 -0.13 0.00 0.00 55.73 54.03 1kpp s ARG 144 Cb -0.01 -1.61 0.00 0.00 -1.56 0.00 0.00 34.95 31.77 1kpp s ARG 144 CO 0.24 -1.22 0.29 -2.30 -0.81 0.00 0.00 175.30 171.50