#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 3.47 -0.03 0.00 0.31 -1.26 -4.23 118.33 116.59 1kpp n VAL 3 Ca 0.00 -2.55 0.02 0.00 -0.01 0.00 0.00 64.34 61.80 1kpp n VAL 3 Cb 0.00 -0.90 -0.11 0.00 -0.91 0.00 0.00 33.84 31.93 1kpp n VAL 3 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1kpp n SER 4 N -1.01 1.82 -0.08 4.52 3.41 -1.26 -4.18 113.62 116.84 1kpp n SER 4 Ca 0.62 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 59.07 1kpp n SER 4 Cb 1.05 1.31 -0.11 0.00 -0.26 0.00 0.00 64.21 66.21 1kpp n SER 4 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1kpp h GLU 5 N 0.00 0.00 -0.17 4.33 4.81 -2.00 -2.49 114.58 119.06 1kpp h GLU 5 Ca -0.14 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1kpp h GLU 5 Cb 1.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1kpp h GLU 5 CO 0.01 0.87 0.09 1.03 -0.73 0.00 0.00 179.01 180.28 1kpp h SER 6 N -1.00 0.20 1.34 1.04 0.87 -1.82 -1.28 113.55 112.90 1kpp h SER 6 Ca -0.14 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 1kpp h SER 6 Cb 1.03 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1kpp h SER 6 CO -0.09 0.17 -0.68 -0.61 -0.53 0.00 0.00 176.83 175.09 1kpp h GLN 7 N 0.24 0.00 -0.18 2.24 4.15 -1.73 -3.11 115.11 116.72 1kpp h GLN 7 Ca 0.06 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.52 1kpp h GLN 7 Cb 0.01 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1kpp h GLN 7 CO -0.01 0.23 -0.09 1.25 -1.93 0.00 0.00 178.83 178.27 1kpp h LEU 8 N 0.00 -0.30 0.04 -2.39 5.85 -0.74 0.25 115.31 118.01 1kpp h LEU 8 Ca -0.04 0.07 -0.23 0.00 0.84 0.00 0.00 57.88 58.52 1kpp h LEU 8 Cb 1.25 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 1kpp h LEU 8 CO 0.03 -0.12 -1.08 0.50 -0.34 0.00 0.00 178.44 177.43 1kpp h LYS 9 N -0.08 0.10 0.00 1.25 3.64 -1.69 -2.87 116.57 116.93 1kpp h LYS 9 Ca 0.10 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1kpp h LYS 9 Cb 0.22 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1kpp h LYS 9 CO -0.23 1.08 -0.30 -0.22 -2.27 0.00 0.00 179.45 177.51 1kpp h LYS 10 N 0.03 0.00 0.05 1.90 1.63 -1.40 -0.09 116.57 118.69 1kpp h LYS 10 Ca -0.05 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.46 1kpp h LYS 10 Cb 1.83 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.43 1kpp h LYS 10 CO 0.16 0.30 -1.55 0.00 -3.45 0.00 0.00 179.45 174.91 1kpp h MET 11 N 0.00 0.11 -0.58 1.90 -0.00 -0.55 -3.33 114.93 112.48 1kpp h MET 11 Ca -0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 59.70 59.49 1kpp h MET 11 Cb 0.59 0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.25 1kpp h MET 11 CO 0.04 0.87 0.02 1.33 -0.00 0.00 0.00 176.91 179.17 1kpp n VAL 12 N -3.29 2.78 0.25 -0.10 0.24 -1.08 -4.44 118.33 112.69 1kpp n VAL 12 Ca -0.15 -1.45 0.10 0.00 -2.04 0.00 0.00 64.34 60.80 1kpp n VAL 12 Cb 1.03 -0.29 0.64 0.00 -1.47 0.00 0.00 33.84 33.75 1kpp n VAL 12 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1kpp h SER 13 N 3.84 0.00 0.85 -1.34 0.87 -1.13 -2.18 113.55 114.46 1kpp h SER 13 Ca 0.02 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1kpp h SER 13 Cb 2.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.96 1kpp h SER 13 CO 0.51 0.16 -1.18 0.29 -0.53 0.00 0.00 176.83 176.07 1kpp n LYS 14 N -3.84 0.61 -1.62 2.24 5.02 -1.26 -4.93 118.16 114.37 1kpp n LYS 14 Ca -0.02 0.14 -0.47 0.00 -2.02 0.00 0.00 58.31 55.94 1kpp n LYS 14 Cb 0.26 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 1kpp n LYS 14 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1kpp n TYR 15 N -2.73 1.72 0.30 2.13 4.02 -0.82 -4.92 117.16 116.87 1kpp n TYR 15 Ca -0.03 0.55 -0.12 0.00 -0.01 0.00 0.00 57.90 58.29 1kpp n TYR 15 Cb 0.65 -2.37 -0.06 0.00 -0.02 0.00 0.00 39.34 37.54 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 3.82 -0.75 -3.09 -0.72 3.11 -1.85 -3.24 116.57 113.86 1kpp h LYS 16 Ca -0.44 0.05 -0.73 0.00 -2.81 0.00 0.00 60.65 56.72 1kpp h LYS 16 Cb 1.31 0.17 -0.09 0.00 -1.00 0.00 0.00 32.23 32.62 1kpp h LYS 16 CO 0.73 -0.50 2.74 0.66 -2.81 0.00 0.00 179.45 180.27 1kpp n TYR 17 N -4.11 2.75 0.17 1.91 4.02 -1.26 -4.71 117.16 115.93 1kpp n TYR 17 Ca -0.10 -2.89 -0.14 0.00 -0.01 0.00 0.00 57.90 54.76 1kpp n TYR 17 Cb 0.30 -2.10 -0.08 0.00 -0.02 0.00 0.00 39.34 37.44 1kpp n TYR 17 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1kpp h ARG 18 N 5.14 -0.40 -0.86 -0.72 2.43 -1.86 1.09 114.38 119.20 1kpp h ARG 18 Ca 0.65 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 60.03 1kpp h ARG 18 Cb 0.42 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 1kpp h ARG 18 CO 1.64 -0.15 0.57 -0.44 -1.51 0.00 0.00 179.97 180.08 1kpp h ASP 19 N -0.60 0.43 0.18 -3.80 5.19 -1.91 0.69 116.42 116.60 1kpp h ASP 19 Ca -0.04 0.04 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 1kpp h ASP 19 Cb 0.43 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.91 1kpp h ASP 19 CO 0.07 0.19 -1.75 0.25 -3.12 0.00 0.00 179.24 174.88 1kpp h LEU 20 N 0.44 0.61 -0.01 1.55 6.46 -1.89 -3.17 115.31 119.30 1kpp h LEU 20 Ca 0.44 -0.94 -0.00 0.00 -0.12 0.00 0.00 57.88 57.26 1kpp h LEU 20 Cb 1.03 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.76 1kpp h LEU 20 CO -0.17 1.79 -0.00 0.74 -0.62 0.00 0.00 178.44 180.18 1kpp h THR 21 N 0.09 1.26 -0.97 1.05 2.02 0.22 -0.66 112.91 115.91 1kpp h THR 21 Ca -0.35 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.08 1kpp h THR 21 Cb 2.08 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 70.21 1kpp h THR 21 CO 0.17 0.20 0.64 0.58 0.37 0.00 0.00 175.52 177.48 1kpp h VAL 22 N -0.30 1.23 -0.08 3.16 2.07 0.17 -0.50 116.25 122.00 1kpp h VAL 22 Ca 0.00 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1kpp h VAL 22 Cb 0.33 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1kpp h VAL 22 CO 0.00 0.24 -0.02 -0.09 0.02 0.00 0.00 177.57 177.71 1kpp h ARG 23 N 1.29 0.16 -0.69 1.57 1.12 -1.51 -1.02 114.38 115.31 1kpp h ARG 23 Ca 0.36 -0.07 0.03 0.00 -1.11 0.00 0.00 59.98 59.20 1kpp h ARG 23 Cb -0.11 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.79 1kpp h ARG 23 CO -0.09 0.50 0.43 0.93 -3.11 0.00 0.00 179.97 178.63 1kpp h GLU 24 N -0.18 0.80 0.69 0.20 3.07 -0.84 -0.55 114.58 117.78 1kpp h GLU 24 Ca 0.02 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1kpp h GLU 24 Cb 0.44 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1kpp h GLU 24 CO 0.01 0.53 -0.33 1.15 -1.40 0.00 0.00 179.01 178.97 1kpp h THR 25 N 0.83 0.12 -0.64 1.13 2.02 -1.07 -2.87 112.91 112.44 1kpp h THR 25 Ca 0.28 -0.28 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1kpp h THR 25 Cb 0.04 0.16 -0.11 0.00 -1.74 0.00 0.00 68.15 66.50 1kpp h THR 25 CO -0.12 0.02 -0.00 1.62 0.37 0.00 0.00 175.52 177.41 1kpp h VAL 26 N -1.18 0.47 -0.32 3.16 3.04 -1.09 0.41 116.25 120.74 1kpp h VAL 26 Ca -0.09 -0.04 0.09 0.00 -1.01 0.00 0.00 66.70 65.65 1kpp h VAL 26 Cb 0.73 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 1kpp h VAL 26 CO 0.16 0.02 0.27 -1.13 -1.01 0.00 0.00 177.57 175.88 1kpp h ASN 27 N 0.11 0.00 1.02 3.17 -0.73 -1.10 0.93 115.58 118.98 1kpp h ASN 27 Ca 0.33 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.33 1kpp h ASN 27 Cb 0.55 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.11 1kpp h ASN 27 CO -0.55 0.00 -1.04 0.58 -0.37 0.00 0.00 177.43 176.05 1kpp h VAL 28 N 0.00 0.98 0.00 2.57 2.07 0.00 -3.19 116.25 118.69 1kpp h VAL 28 Ca 0.15 -2.53 -0.22 0.00 0.82 0.00 0.00 66.70 64.92 1kpp h VAL 28 Cb 0.69 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 1kpp h VAL 28 CO -0.00 0.56 -1.60 -0.38 0.02 0.00 0.00 177.57 176.17 1kpp n ILE 29 N -3.14 1.32 -0.03 4.57 5.41 0.06 -2.93 119.36 124.61 1kpp n ILE 29 Ca -0.04 -0.73 -0.13 0.00 1.00 0.00 0.00 62.75 62.85 1kpp n ILE 29 Cb 0.86 -0.80 -0.08 0.00 -0.71 0.00 0.00 39.64 38.90 1kpp n ILE 29 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1kpp h THR 30 N 0.00 1.34 -0.19 1.39 2.02 0.67 -3.26 112.91 114.87 1kpp h THR 30 Ca -0.23 -1.11 -0.16 0.00 0.77 0.00 0.00 66.41 65.68 1kpp h THR 30 Cb 1.76 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 1kpp h THR 30 CO 0.05 0.31 -0.52 0.25 0.37 0.00 0.00 175.52 175.98 1kpp h LEU 31 N -0.20 0.79 -8.74 2.58 5.85 -1.73 -3.42 115.31 110.45 1kpp h LEU 31 Ca 0.02 -0.58 -0.66 0.00 0.84 0.00 0.00 57.88 57.50 1kpp h LEU 31 Cb 0.52 -0.23 -0.19 0.00 0.37 0.00 0.00 40.66 41.12 1kpp h LEU 31 CO 0.01 1.23 -0.52 -0.31 -0.34 0.00 0.00 178.44 178.52 1kpp s TYR 32 N -3.94 3.20 -0.40 1.25 2.02 -1.15 -4.95 117.35 113.39 1kpp s TYR 32 Ca -0.12 -0.19 0.10 0.00 -0.37 0.00 0.00 57.07 56.49 1kpp s TYR 32 Cb 0.08 -2.40 0.64 0.00 -0.40 0.00 0.00 41.96 39.87 1kpp s TYR 32 CO 0.86 -0.31 1.52 1.63 -1.57 0.00 0.00 175.55 177.67 1kpp n LYS 33 N 5.05 3.86 -0.09 -0.62 5.02 -1.26 -3.98 118.16 126.15 1kpp n LYS 33 Ca -0.14 -2.48 0.08 0.00 -2.02 0.00 0.00 58.31 53.75 1kpp n LYS 33 Cb 0.50 -2.09 0.12 0.00 -0.02 0.00 0.00 35.03 33.54 1kpp n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1kpp n ASP 34 N 0.35 2.42 -4.52 4.39 9.92 -1.26 -5.03 116.55 122.82 1kpp n ASP 34 Ca 0.25 -2.83 -0.24 0.00 -0.53 0.00 0.00 54.79 51.44 1kpp n ASP 34 Cb 1.05 -0.34 -0.09 0.00 -0.64 0.00 0.00 41.12 41.09 1kpp n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1kpp s LEU 35 N -2.43 2.76 -0.15 0.64 2.01 -1.26 -1.57 118.68 118.67 1kpp s LEU 35 Ca 0.26 -0.92 -0.07 0.00 0.01 0.00 0.00 54.13 53.42 1kpp s LEU 35 Cb 0.22 -1.27 0.07 0.00 0.01 0.00 0.00 46.19 45.21 1kpp s LEU 35 CO 0.03 0.03 0.34 -0.75 1.01 0.00 0.00 176.35 177.01 1kpp s LYS 36 N -3.54 0.27 0.16 1.70 2.47 0.83 -4.98 119.74 116.65 1kpp s LYS 36 Ca 0.30 0.79 -0.30 0.00 -1.56 0.00 0.00 55.97 55.20 1kpp s LYS 36 Cb -0.05 0.05 -0.08 0.00 -1.46 0.00 0.00 37.83 36.28 1kpp s LYS 36 CO 0.16 -0.22 1.22 -1.25 0.16 0.00 0.00 175.35 175.42 1kpp s PRO 37 N 1.98 4.46 0.19 4.03 0.04 -1.26 -2.35 135.00 142.09 1kpp s PRO 37 Ca -0.04 1.88 0.05 0.00 0.04 0.00 0.00 61.00 62.92 1kpp s PRO 37 Cb -0.11 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 1kpp s PRO 37 CO -0.11 -0.15 -0.07 0.08 0.04 0.00 0.00 177.00 176.79 1kpp s VAL 38 N 0.22 1.26 -0.22 -0.36 1.01 0.25 -4.96 120.40 117.59 1kpp s VAL 38 Ca 0.55 -2.08 0.02 0.00 0.00 0.00 0.00 61.98 60.46 1kpp s VAL 38 Cb -0.33 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.01 1kpp s VAL 38 CO 0.35 -0.55 -0.15 -0.22 0.00 0.00 0.00 175.10 174.53 1kpp s LEU 39 N -3.26 2.75 -0.13 3.92 1.98 -1.26 -0.93 118.68 121.75 1kpp s LEU 39 Ca 0.22 -1.02 -0.02 0.00 -2.89 0.00 0.00 54.13 50.43 1kpp s LEU 39 Cb 0.03 -1.48 0.04 0.00 0.66 0.00 0.00 46.19 45.44 1kpp s LEU 39 CO 0.05 -0.10 0.00 -0.62 -1.89 0.00 0.00 176.35 173.79 1kpp s ASP 40 N 1.22 2.29 0.33 3.68 2.15 0.18 -4.94 116.67 121.58 1kpp s ASP 40 Ca -0.02 -0.46 -0.28 0.00 0.43 0.00 0.00 52.55 52.23 1kpp s ASP 40 Cb -0.17 -0.58 -0.09 0.00 -0.30 0.00 0.00 42.92 41.78 1kpp s ASP 40 CO -0.09 -0.23 1.12 -0.94 -0.17 0.00 0.00 175.17 174.86 1kpp s SER 41 N 1.88 6.98 -0.25 -0.34 1.04 -1.26 -2.83 113.70 118.91 1kpp s SER 41 Ca 0.02 2.29 -0.08 0.00 0.48 0.00 0.00 55.95 58.66 1kpp s SER 41 Cb -0.15 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.32 1kpp s SER 41 CO -0.07 -0.35 0.08 -0.47 0.98 0.00 0.00 173.24 173.41 1kpp s TYR 42 N -1.30 3.10 0.69 5.02 6.14 -0.97 -4.79 117.35 125.24 1kpp s TYR 42 Ca 0.50 -0.35 -0.14 0.00 0.64 0.00 0.00 57.07 57.72 1kpp s TYR 42 Cb -0.31 -2.24 0.01 0.00 0.42 0.00 0.00 41.96 39.84 1kpp s TYR 42 CO 0.39 -0.32 1.10 0.14 0.64 0.00 0.00 175.55 177.51 1kpp s VAL 43 N 1.57 3.29 -0.63 3.14 -7.23 -1.26 -2.52 120.40 116.76 1kpp s VAL 43 Ca 0.06 0.54 0.03 0.00 -1.81 0.00 0.00 61.98 60.81 1kpp s VAL 43 Cb -0.15 -3.06 0.37 0.00 0.56 0.00 0.00 36.38 34.10 1kpp s VAL 43 CO 0.04 -0.42 1.30 0.49 -0.31 0.00 0.00 175.10 176.20 1kpp n PHE 44 N -2.71 3.48 -3.24 2.82 3.72 0.10 -4.90 117.46 116.73 1kpp n PHE 44 Ca 0.10 -3.20 -0.07 0.00 -0.05 0.00 0.00 57.45 54.22 1kpp n PHE 44 Cb 0.52 -0.53 0.01 0.00 -0.94 0.00 0.00 39.48 38.54 1kpp n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1kpp n ASN 45 N -0.36 -7.04 -1.44 4.37 3.02 -1.26 -2.37 115.26 110.17 1kpp n ASN 45 Ca 0.40 -0.34 -0.17 0.00 -0.03 0.00 0.00 54.58 54.44 1kpp n ASN 45 Cb 0.45 -4.55 -0.06 0.00 -0.61 0.00 0.00 39.78 35.02 1kpp n ASN 45 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1kpp n ASP 46 N -2.10 -5.02 -1.85 6.41 9.92 -1.26 -4.88 116.55 117.78 1kpp n ASP 46 Ca -0.07 0.32 -0.16 0.00 -0.53 0.00 0.00 54.79 54.35 1kpp n ASP 46 Cb 0.55 -4.03 0.05 0.00 -0.64 0.00 0.00 41.12 37.05 1kpp n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kpp n GLY 47 N -0.93 5.66 0.79 0.44 0.00 -1.00 -5.10 105.19 105.04 1kpp n GLY 47 Ca -0.18 -2.25 0.10 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.74 -4.69 -4.46 1.61 2.88 -1.26 -4.40 113.62 102.56 1kpp n SER 48 Ca 0.36 0.58 -0.26 0.00 -1.33 0.00 0.00 58.87 58.22 1kpp n SER 48 Cb 0.91 -2.56 -0.09 0.00 -0.75 0.00 0.00 64.21 61.72 1kpp n SER 48 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1kpp s SER 49 N -6.19 3.12 -0.01 -3.46 1.04 -1.26 0.00 113.70 106.95 1kpp s SER 49 Ca 0.00 -1.52 0.03 0.00 0.48 0.00 0.00 55.95 54.94 1kpp s SER 49 Cb 0.00 0.15 -0.00 0.00 0.10 0.00 0.00 66.02 66.26 1kpp s SER 49 CO 0.00 -0.72 -0.09 0.00 0.98 0.00 0.00 173.24 173.41 1kpp s ARG 50 N -3.81 0.76 -0.46 4.02 1.04 -1.05 -4.86 118.95 114.59 1kpp s ARG 50 Ca 0.26 -0.30 -0.33 0.00 -1.04 0.00 0.00 55.73 54.31 1kpp s ARG 50 Cb 0.06 -0.73 -0.12 0.00 -2.04 0.00 0.00 34.95 32.12 1kpp s ARG 50 CO 0.13 0.17 2.29 -0.85 -0.04 0.00 0.00 175.30 177.00 1kpp n GLU 51 N 2.98 0.89 -5.07 3.89 0.00 -1.26 -2.30 120.64 119.77 1kpp n GLU 51 Ca -0.15 0.20 -0.32 0.00 0.00 0.00 0.00 57.16 56.89 1kpp n GLU 51 Cb 0.56 -2.45 -0.16 0.00 0.00 0.00 0.00 31.44 29.39 1kpp n GLU 51 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1kpp s LEU 52 N 8.28 2.32 0.14 -1.84 2.96 -1.13 -4.92 118.68 124.48 1kpp s LEU 52 Ca 1.12 -0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 1kpp s LEU 52 Cb -0.83 -1.48 -0.06 0.00 0.50 0.00 0.00 46.19 44.32 1kpp s LEU 52 CO 0.46 0.18 0.49 0.00 -1.32 0.00 0.00 176.35 176.16 1kpp s MET 53 N 0.24 3.85 -0.05 1.98 0.23 -1.26 0.52 119.30 124.81 1kpp s MET 53 Ca -0.13 0.31 -0.05 0.00 -1.03 0.00 0.00 55.69 54.79 1kpp s MET 53 Cb -0.17 -2.90 0.01 0.00 -1.53 0.00 0.00 34.83 30.24 1kpp s MET 53 CO 0.07 0.48 0.14 0.54 -2.03 0.00 0.00 175.02 174.22 1kpp s ASN 54 N -1.87 -0.13 -0.52 -1.18 4.22 -0.10 -2.78 114.94 112.58 1kpp s ASN 54 Ca 0.38 0.24 -0.16 0.00 -2.14 0.00 0.00 52.86 51.18 1kpp s ASN 54 Cb -0.14 0.28 0.11 0.00 1.28 0.00 0.00 41.25 42.78 1kpp s ASN 54 CO 0.19 -0.07 0.46 -0.76 -2.04 0.00 0.00 177.10 174.88 1kpp s LEU 55 N -0.03 5.99 0.12 3.54 1.43 -0.65 -0.58 118.68 128.50 1kpp s LEU 55 Ca -0.01 -1.65 0.03 0.00 -1.03 0.00 0.00 54.13 51.47 1kpp s LEU 55 Cb -0.01 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1kpp s LEU 55 CO 0.00 -0.78 0.19 0.28 0.23 0.00 0.00 176.35 176.27 1kpp s THR 56 N 1.60 4.97 -5.00 5.49 -1.32 -0.99 -1.06 115.64 119.33 1kpp s THR 56 Ca 0.03 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 1kpp s THR 56 Cb -0.28 -3.49 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 1kpp s THR 56 CO 0.04 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1kpp n GLY 57 N -0.13 -0.96 3.41 6.08 0.00 -1.07 -0.12 105.19 112.40 1kpp n GLY 57 Ca -0.07 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.47 2.23 -0.03 2.61 -4.23 -0.61 -0.59 115.64 112.55 1kpp s THR 58 Ca 0.00 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.40 1kpp s THR 58 Cb 0.00 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.74 1kpp s THR 58 CO 0.00 -0.27 -0.09 0.27 -0.54 0.00 0.00 174.62 173.99 1kpp s ILE 59 N -2.08 0.81 -0.20 2.99 -5.25 -1.20 -4.47 121.20 111.80 1kpp s ILE 59 Ca 0.22 -0.36 -0.29 0.00 -0.99 0.00 0.00 60.65 59.24 1kpp s ILE 59 Cb -0.06 -0.74 -0.02 0.00 2.95 0.00 0.00 42.46 44.59 1kpp s ILE 59 CO 0.10 0.26 1.54 -2.16 -1.79 0.00 0.00 174.94 172.89 1kpp s PRO 60 N 0.34 3.91 -0.32 0.37 0.04 -1.26 -2.43 135.00 135.65 1kpp s PRO 60 Ca -0.06 1.68 0.04 0.00 0.04 0.00 0.00 61.00 62.70 1kpp s PRO 60 Cb -0.10 -3.98 0.09 0.00 0.04 0.00 0.00 34.50 30.55 1kpp s PRO 60 CO 0.01 -1.14 0.02 0.14 0.04 0.00 0.00 177.00 176.06 1kpp s VAL 61 N 4.74 2.24 0.01 -0.36 -7.23 0.34 -4.90 120.40 115.24 1kpp s VAL 61 Ca 0.68 -2.19 -0.39 0.00 -1.81 0.00 0.00 61.98 58.27 1kpp s VAL 61 Cb -0.25 -2.59 -0.19 0.00 0.56 0.00 0.00 36.38 33.91 1kpp s VAL 61 CO 0.27 -0.48 1.17 -2.65 -0.31 0.00 0.00 175.10 173.10 1kpp n PRO 62 N 4.30 0.37 -3.55 4.82 -0.02 -1.26 -1.47 135.00 138.19 1kpp n PRO 62 Ca 0.00 0.13 -0.29 0.00 -2.02 0.00 0.00 63.50 61.33 1kpp n PRO 62 Cb 0.42 -1.68 -0.12 0.00 -0.02 0.00 0.00 33.50 32.10 1kpp n PRO 62 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1kpp s TYR 63 N 0.24 1.36 -1.12 6.00 5.04 -1.20 -4.40 117.35 123.28 1kpp s TYR 63 Ca 0.89 -2.13 -0.06 0.00 -2.44 0.00 0.00 57.07 53.34 1kpp s TYR 63 Cb -1.18 -1.32 0.01 0.00 0.35 0.00 0.00 41.96 39.82 1kpp s TYR 63 CO 0.54 -0.80 0.97 0.54 -1.34 0.00 0.00 175.55 175.46 1kpp n ARG 64 N 3.50 -6.48 0.00 4.97 1.74 -1.26 -2.37 116.66 116.76 1kpp n ARG 64 Ca 0.15 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1kpp n ARG 64 Cb 0.39 -5.37 0.00 0.00 -1.02 0.00 0.00 32.46 26.45 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 -1.60 2.27 0.00 -0.13 0.00 -1.26 -5.05 105.19 99.41 1kpp n GLY 65 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1kpp n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kpp n ASN 66 N 0.00 0.00 -1.90 1.61 4.05 -1.00 -5.05 115.26 112.97 1kpp n ASN 66 Ca 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.02 1kpp n ASN 66 Cb 0.00 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.03 1kpp n ASN 66 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1kpp n THR 67 N 0.00 0.00 -0.72 -0.44 5.66 -1.25 -3.24 114.28 114.29 1kpp n THR 67 Ca 0.00 -0.29 -0.23 0.00 -3.05 0.00 0.00 64.05 60.49 1kpp n THR 67 Cb 0.00 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1kpp n THR 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kpp n TYR 68 N -0.34 -1.40 -3.59 1.09 4.19 -0.54 -2.19 117.16 114.39 1kpp n TYR 68 Ca -0.08 0.31 -0.41 0.00 3.31 0.00 0.00 57.90 61.03 1kpp n TYR 68 Cb 0.59 -0.98 -0.10 0.00 0.49 0.00 0.00 39.34 39.34 1kpp n TYR 68 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1kpp s ASN 69 N -0.56 5.70 -0.43 2.98 0.01 -1.26 0.13 114.94 121.50 1kpp s ASN 69 Ca 0.33 -1.37 -0.15 0.00 -0.71 0.00 0.00 52.86 50.95 1kpp s ASN 69 Cb -0.32 -2.01 0.04 0.00 0.41 0.00 0.00 41.25 39.37 1kpp s ASN 69 CO 0.36 -0.51 0.35 -0.63 -1.51 0.00 0.00 177.10 175.16 1kpp s ILE 70 N 1.47 5.23 0.58 0.60 -1.09 -1.02 -4.80 121.20 122.17 1kpp s ILE 70 Ca 0.03 -0.77 -0.20 0.00 -2.23 0.00 0.00 60.65 57.47 1kpp s ILE 70 Cb -0.22 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1kpp s ILE 70 CO 0.03 -0.42 1.35 -2.84 -1.23 0.00 0.00 174.94 171.83 1kpp s PRO 71 N 1.73 2.93 -0.02 2.79 0.02 -1.26 -3.26 135.00 137.93 1kpp s PRO 71 Ca 0.06 2.20 -0.15 0.00 0.02 0.00 0.00 61.00 63.13 1kpp s PRO 71 Cb -0.21 -2.12 0.02 0.00 0.02 0.00 0.00 34.50 32.22 1kpp s PRO 71 CO 0.09 -1.35 0.31 0.96 -0.33 0.00 0.00 177.00 176.69 1kpp s ILE 72 N -1.32 0.06 -0.20 2.83 -4.36 0.25 -4.06 121.20 114.39 1kpp s ILE 72 Ca 0.75 -0.47 0.01 0.00 -0.26 0.00 0.00 60.65 60.69 1kpp s ILE 72 Cb -0.40 -0.61 0.03 0.00 1.25 0.00 0.00 42.46 42.73 1kpp s ILE 72 CO 0.46 -0.26 -0.15 0.00 0.24 0.00 0.00 174.94 175.23 1kpp s LEU 74 N 1.30 4.43 0.04 0.00 0.20 -0.22 -1.54 118.68 122.89 1kpp s LEU 74 Ca 0.01 0.83 0.06 0.00 0.69 0.00 0.00 54.13 55.71 1kpp s LEU 74 Cb -0.15 -2.48 -0.03 0.00 -0.43 0.00 0.00 46.19 43.09 1kpp s LEU 74 CO -0.10 0.30 -0.12 0.26 -0.29 0.00 0.00 176.35 176.40 1kpp s TRP 75 N -0.81 2.73 0.00 5.38 0.23 0.72 -1.64 118.94 125.56 1kpp s TRP 75 Ca 0.22 -0.15 -0.02 0.00 -2.03 0.00 0.00 56.10 54.12 1kpp s TRP 75 Cb -0.15 -1.51 -0.01 0.00 0.03 0.00 0.00 33.47 31.83 1kpp s TRP 75 CO 0.11 0.34 0.02 -0.51 0.96 0.00 0.00 176.95 177.87 1kpp s LEU 76 N -1.61 1.98 0.30 2.99 1.02 -1.12 -1.64 118.68 120.60 1kpp s LEU 76 Ca 0.17 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 54.14 1kpp s LEU 76 Cb -0.11 0.21 -0.06 0.00 0.02 0.00 0.00 46.19 46.25 1kpp s LEU 76 CO 0.08 -0.21 -0.03 -1.48 0.02 0.00 0.00 176.35 174.73 1kpp s LEU 77 N -0.91 2.47 0.16 1.79 -0.00 -1.26 -4.33 118.68 116.60 1kpp s LEU 77 Ca -0.10 -1.24 -0.09 0.00 -0.00 0.00 0.00 54.13 52.69 1kpp s LEU 77 Cb -0.06 -0.63 0.01 0.00 -0.00 0.00 0.00 46.19 45.51 1kpp s LEU 77 CO -0.00 -0.40 1.53 -0.78 -0.00 0.00 0.00 176.35 176.70 1kpp h ASP 78 N 2.19 0.98 0.00 1.48 1.82 -1.95 -3.46 116.42 117.48 1kpp h ASP 78 Ca -0.41 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 55.83 1kpp h ASP 78 Cb 1.24 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1kpp h ASP 78 CO 0.69 1.20 0.00 1.07 -1.61 0.00 0.00 179.24 180.59 1kpp n THR 79 N -4.08 0.00 -4.41 2.25 5.66 -1.26 -3.00 114.28 109.43 1kpp n THR 79 Ca -0.01 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.78 1kpp n THR 79 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 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 0.00 1.92 0.06 1.09 1.51 -1.26 -2.91 117.35 117.76 1kpp s TYR 80 Ca 0.00 -0.65 0.05 0.00 -1.01 0.00 0.00 57.07 55.45 1kpp s TYR 80 Cb 0.00 -1.04 -0.24 0.00 -0.11 0.00 0.00 41.96 40.57 1kpp s TYR 80 CO 0.00 0.32 1.07 -1.00 -1.11 0.00 0.00 175.55 174.83 1kpp h PRO 81 N 2.34 0.08 0.00 -1.71 0.13 -2.01 -3.44 132.00 127.39 1kpp h PRO 81 Ca -0.40 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1kpp h PRO 81 Cb 1.23 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1kpp h PRO 81 CO 0.66 0.96 0.00 0.66 -0.23 0.00 0.00 178.00 180.04 1kpp n TYR 82 N -3.34 0.00 0.00 1.56 4.01 -1.26 -4.98 117.16 113.16 1kpp n TYR 82 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1kpp n TYR 82 Cb 0.99 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.95 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 -0.72 0.00 -4.79 7.72 2.85 -1.15 -5.08 115.26 114.09 1kpp n ASN 83 Ca 0.00 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.08 1kpp n ASN 83 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 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 4.50 0.10 1.20 0.04 -1.26 -4.83 135.00 134.75 1kpp s PRO 84 Ca 0.00 1.10 -0.34 0.00 0.04 0.00 0.00 61.00 61.81 1kpp s PRO 84 Cb 0.00 -3.15 -0.13 0.00 0.04 0.00 0.00 34.50 31.26 1kpp s PRO 84 CO 0.00 0.52 1.66 -2.30 0.04 0.00 0.00 177.00 176.91 1kpp n PRO 85 N 1.34 2.17 -3.27 0.56 -0.02 -1.26 -4.88 135.00 129.64 1kpp n PRO 85 Ca -0.05 0.79 -0.24 0.00 -2.02 0.00 0.00 63.50 61.98 1kpp n PRO 85 Cb 0.49 -2.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.74 5.07 -0.23 4.25 1.09 -0.65 -4.96 121.20 127.50 1kpp s ILE 86 Ca 0.82 -0.37 -0.09 0.00 -1.10 0.00 0.00 60.65 59.91 1kpp s ILE 86 Cb -0.68 -3.86 0.09 0.00 -1.06 0.00 0.00 42.46 36.95 1kpp s ILE 86 CO 0.41 -0.60 0.51 0.00 -0.10 0.00 0.00 174.94 175.17 1kpp s PHE 88 N 2.33 0.78 0.13 0.00 0.08 -0.59 -2.96 117.98 117.76 1kpp s PHE 88 Ca -0.05 -0.25 -0.31 0.00 0.12 0.00 0.00 56.93 56.44 1kpp s PHE 88 Cb -0.10 -0.83 -0.08 0.00 -0.57 0.00 0.00 43.02 41.43 1kpp s PHE 88 CO -0.15 -0.33 1.39 0.54 -0.10 0.00 0.00 175.22 176.57 1kpp s VAL 89 N 1.76 3.22 -0.13 -0.44 0.11 0.37 -2.49 120.40 122.80 1kpp s VAL 89 Ca 0.02 0.90 -0.25 0.00 -2.93 0.00 0.00 61.98 59.73 1kpp s VAL 89 Cb -0.13 -3.58 -0.02 0.00 -1.53 0.00 0.00 36.38 31.13 1kpp s VAL 89 CO -0.05 0.08 0.78 -0.75 -3.33 0.00 0.00 175.10 171.84 1kpp s LYS 90 N 0.89 4.35 0.98 1.54 2.36 -1.26 -3.99 119.74 124.61 1kpp s LYS 90 Ca 0.64 0.96 -0.12 0.00 -2.55 0.00 0.00 55.97 54.90 1kpp s LYS 90 Cb -0.37 -3.53 0.18 0.00 -1.05 0.00 0.00 37.83 33.06 1kpp s LYS 90 CO 0.32 -0.19 1.08 -1.25 1.55 0.00 0.00 175.35 176.86 1kpp s PRO 91 N 1.66 0.54 0.34 4.03 0.04 -1.26 -4.77 135.00 135.58 1kpp s PRO 91 Ca 0.38 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1kpp s PRO 91 Cb -0.17 -1.72 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 1kpp s PRO 91 CO 0.15 -2.76 0.01 2.41 0.04 0.00 0.00 177.00 176.86 1kpp n THR 92 N -4.25 0.00 -0.09 1.26 -1.04 -1.26 -4.99 114.28 103.92 1kpp n THR 92 Ca 0.06 -1.66 -0.11 0.00 -2.04 0.00 0.00 64.05 60.30 1kpp n THR 92 Cb 0.55 0.37 -0.12 0.00 -1.82 0.00 0.00 70.33 69.31 1kpp n THR 92 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1kpp n SER 93 N -1.28 1.53 -0.05 8.00 3.41 -1.26 -3.29 113.62 120.69 1kpp n SER 93 Ca -0.13 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.31 1kpp n SER 93 Cb 0.44 0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 64.66 1kpp n SER 93 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1kpp n SER 94 N -2.80 1.00 0.00 4.04 3.41 -1.26 -4.28 113.62 113.73 1kpp n SER 94 Ca -0.31 0.23 0.10 0.00 -0.26 0.00 0.00 58.87 58.63 1kpp n SER 94 Cb 0.98 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.84 1kpp n SER 94 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1kpp n MET 95 N -3.07 0.14 0.00 4.33 0.00 -1.26 -5.00 117.12 112.25 1kpp n MET 95 Ca -0.26 -0.04 0.00 0.00 -0.00 0.00 0.00 57.70 57.40 1kpp n MET 95 Cb 1.07 -1.51 0.00 0.00 0.00 0.00 0.00 33.22 32.78 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 -1.67 0.00 -3.78 1.12 5.66 -1.21 -3.74 114.28 110.66 1kpp n THR 96 Ca 0.02 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.86 1kpp n THR 96 Cb 0.38 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.00 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 0.00 -0.01 -0.00 1.09 2.07 -1.06 -4.03 121.20 119.26 1kpp s ILE 97 Ca 0.00 0.24 -0.01 0.00 -1.41 0.00 0.00 60.65 59.48 1kpp s ILE 97 Cb 0.00 -0.15 -0.04 0.00 0.13 0.00 0.00 42.46 42.40 1kpp s ILE 97 CO 0.00 0.13 0.09 -1.59 -1.91 0.00 0.00 174.94 171.66 1kpp s LYS 98 N 1.37 3.09 0.04 3.50 -2.85 0.67 -4.71 119.74 120.85 1kpp s LYS 98 Ca -0.05 -0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 54.14 1kpp s LYS 98 Cb -0.13 -2.88 -0.04 0.00 -2.06 0.00 0.00 37.83 32.72 1kpp s LYS 98 CO -0.03 0.65 1.00 0.95 0.10 0.00 0.00 175.35 178.02 1kpp s THR 99 N -1.21 4.67 0.00 3.79 -4.23 -1.26 -4.58 115.64 112.82 1kpp s THR 99 Ca 0.23 2.00 0.00 0.00 -1.18 0.00 0.00 61.69 62.74 1kpp s THR 99 Cb -0.12 -4.28 0.00 0.00 1.34 0.00 0.00 72.50 69.44 1kpp s THR 99 CO 0.15 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 1kpp n GLY 100 N 2.74 4.19 0.13 3.99 0.00 -1.14 -5.02 105.19 110.07 1kpp n GLY 100 Ca 0.05 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 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 0.69 -0.08 1.61 4.01 -1.26 -4.75 118.16 118.38 1kpp n LYS 101 Ca 0.00 0.19 -0.16 0.00 -0.51 0.00 0.00 58.31 57.83 1kpp n LYS 101 Cb 0.00 -1.60 -0.06 0.00 -0.51 0.00 0.00 35.03 32.86 1kpp n LYS 101 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1kpp n HIS 102 N -3.30 0.00 -0.90 2.13 1.44 -1.26 -4.64 115.22 108.68 1kpp n HIS 102 Ca -0.39 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 54.94 1kpp n HIS 102 Cb 1.02 -0.56 -0.06 0.00 0.12 0.00 0.00 29.99 30.51 1kpp n HIS 102 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1kpp n VAL 103 N -3.59 1.47 0.00 0.61 0.24 -1.26 -3.61 118.33 112.19 1kpp n VAL 103 Ca -0.30 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 60.81 1kpp n VAL 103 Cb 0.73 -2.19 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 1kpp n VAL 103 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1kpp n ASP 104 N 7.12 0.00 -0.09 -1.34 8.00 -1.26 -2.90 116.55 126.09 1kpp n ASP 104 Ca 0.46 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.80 1kpp n ASP 104 Cb 0.34 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.46 -1.56 2.24 0.00 -1.26 -4.34 120.51 114.05 1kpp n ALA 105 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 53.44 52.37 1kpp n ALA 105 Cb 0.00 0.15 0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 -4.12 6.60 -3.40 0.00 4.13 -1.26 -4.90 115.26 112.31 1kpp n ASN 106 Ca -0.28 -3.77 -0.17 0.00 1.68 0.00 0.00 54.58 52.04 1kpp n ASN 106 Cb 0.62 -0.76 0.08 0.00 -1.54 0.00 0.00 39.78 38.19 1kpp n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kpp n GLY 107 N -0.86 -0.51 3.41 7.41 0.00 -1.26 -4.60 105.19 108.79 1kpp n GLY 107 Ca 0.56 0.19 -0.45 0.00 0.00 0.00 0.00 46.02 46.32 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 -5.20 3.60 -0.41 1.61 1.02 -1.24 0.14 119.74 119.27 1kpp s LYS 108 Ca 0.09 -2.00 -0.37 0.00 0.02 0.00 0.00 55.97 53.70 1kpp s LYS 108 Cb -0.01 -4.75 -0.14 0.00 -0.52 0.00 0.00 37.83 32.41 1kpp s LYS 108 CO 0.73 -1.61 2.19 -0.89 -0.92 0.00 0.00 175.35 174.86 1kpp n ILE 109 N 4.97 0.13 -2.01 2.17 5.41 -1.16 -4.21 119.36 124.66 1kpp n ILE 109 Ca 0.21 -0.19 -0.22 0.00 1.00 0.00 0.00 62.75 63.54 1kpp n ILE 109 Cb 0.48 -1.32 0.03 0.00 -0.71 0.00 0.00 39.64 38.12 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 9.34 2.58 -1.67 1.39 4.02 -1.24 -4.82 117.16 126.77 1kpp n TYR 110 Ca 0.46 -2.18 -0.49 0.00 -0.01 0.00 0.00 57.90 55.68 1kpp n TYR 110 Cb 0.16 -0.33 -0.05 0.00 -0.02 0.00 0.00 39.34 39.09 1kpp n TYR 110 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1kpp n LEU 111 N -0.73 3.30 -0.19 7.72 4.77 -1.26 -4.80 117.00 125.81 1kpp n LEU 111 Ca 0.42 0.91 0.13 0.00 -0.03 0.00 0.00 56.01 57.44 1kpp n LEU 111 Cb 0.95 -1.36 0.45 0.00 -2.33 0.00 0.00 43.42 41.13 1kpp n LEU 111 CO 0.37 -0.14 1.21 -0.65 -1.33 0.00 0.00 177.39 176.85 1kpp h PRO 112 N 9.56 0.52 -0.10 3.23 0.11 -1.97 0.49 132.00 143.85 1kpp h PRO 112 Ca -0.47 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1kpp h PRO 112 Cb 1.28 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1kpp h PRO 112 CO 0.96 0.35 0.07 -0.92 -0.21 0.00 0.00 178.00 178.25 1kpp h TYR 113 N 0.54 0.00 0.00 0.65 5.03 -1.98 -1.72 116.97 119.49 1kpp h TYR 113 Ca 0.38 0.00 -0.29 0.00 2.58 0.00 0.00 58.73 61.40 1kpp h TYR 113 Cb 0.72 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.95 1kpp h TYR 113 CO -0.00 0.00 -1.73 -0.11 -1.32 0.00 0.00 178.16 175.00 1kpp n LEU 114 N -4.48 0.87 -0.26 2.82 0.00 0.06 -3.90 117.00 112.10 1kpp n LEU 114 Ca -0.01 0.40 0.05 0.00 0.00 0.00 0.00 56.01 56.46 1kpp n LEU 114 Cb 0.19 0.17 0.29 0.00 0.00 0.00 0.00 43.42 44.06 1kpp n LEU 114 CO 0.34 0.40 1.24 -0.74 0.00 0.00 0.00 177.39 178.62 1kpp h HIS 115 N 0.00 0.93 -0.60 1.96 2.76 -0.36 0.17 115.15 120.02 1kpp h HIS 115 Ca -0.29 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 57.78 1kpp h HIS 115 Cb 2.02 -0.31 -0.07 0.00 1.55 0.00 0.00 27.41 30.60 1kpp h HIS 115 CO 0.00 0.48 0.16 0.39 -1.30 0.00 0.00 177.93 177.66 1kpp n GLU 116 N -4.49 3.76 -3.39 5.26 1.02 -1.01 -4.90 120.64 116.88 1kpp n GLU 116 Ca 0.13 -2.70 -0.39 0.00 -0.02 0.00 0.00 57.16 54.18 1kpp n GLU 116 Cb 0.22 -2.13 -0.08 0.00 -0.02 0.00 0.00 31.44 29.43 1kpp n GLU 116 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1kpp s TRP 117 N -2.62 3.31 -0.24 -0.32 -0.11 0.05 -5.05 118.94 113.96 1kpp s TRP 117 Ca 0.48 0.51 -0.01 0.00 1.22 0.00 0.00 56.10 58.30 1kpp s TRP 117 Cb 0.38 -2.54 0.07 0.00 -1.50 0.00 0.00 33.47 29.87 1kpp s TRP 117 CO 0.13 -0.12 0.01 0.15 -4.62 0.00 0.00 176.95 172.50 1kpp s LYS 118 N 1.68 1.12 1.19 5.86 1.02 -1.26 -4.99 119.74 124.36 1kpp s LYS 118 Ca 0.17 -0.86 -0.18 0.00 0.02 0.00 0.00 55.97 55.11 1kpp s LYS 118 Cb -0.15 -2.35 0.29 0.00 -0.52 0.00 0.00 37.83 35.10 1kpp s LYS 118 CO 0.09 -0.71 0.65 -2.39 -0.92 0.00 0.00 175.35 172.07 1kpp n HIS 119 N 4.81 -3.21 0.26 3.18 1.44 -1.26 -3.88 115.22 116.56 1kpp n HIS 119 Ca -0.08 -0.50 0.15 0.00 -2.01 0.00 0.00 57.72 55.28 1kpp n HIS 119 Cb 0.45 -1.17 0.81 0.00 0.12 0.00 0.00 29.99 30.20 1kpp n HIS 119 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1kpp h PRO 120 N 0.00 0.00 -0.89 -1.40 0.11 -2.06 -3.44 132.00 124.32 1kpp h PRO 120 Ca -0.30 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.90 1kpp h PRO 120 Cb 1.00 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.00 1kpp h PRO 120 CO 0.18 0.00 -0.52 1.04 -0.21 0.00 0.00 178.00 178.49 1kpp n GLN 121 N -2.63 -0.38 -0.60 1.05 3.00 -1.25 -4.50 117.38 112.06 1kpp n GLN 121 Ca -0.02 1.35 -0.30 0.00 -0.01 0.00 0.00 57.00 58.02 1kpp n GLN 121 Cb 0.17 -1.98 0.20 0.00 0.00 0.00 0.00 30.24 28.62 1kpp n GLN 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1kpp n SER 122 N -5.12 -0.96 0.00 1.08 3.41 -1.26 -4.98 113.62 105.78 1kpp n SER 122 Ca 0.02 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1kpp n SER 122 Cb 0.24 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1kpp n SER 122 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1kpp n ASP 123 N -4.05 0.00 0.00 4.04 5.68 -1.26 -4.80 116.55 116.16 1kpp n ASP 123 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1kpp n ASP 123 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1kpp n ASP 123 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1kpp n LEU 124 N -0.55 0.00 -0.17 -2.12 7.94 -1.26 -4.98 117.00 115.85 1kpp n LEU 124 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 1kpp n LEU 124 Cb 0.00 0.00 0.02 0.00 0.53 0.00 0.00 43.42 43.97 1kpp n LEU 124 CO 0.00 0.00 1.07 -0.07 -1.11 0.00 0.00 177.39 177.28 1kpp h LEU 125 N 0.00 0.60 -0.93 -1.96 4.07 -1.94 -2.48 115.31 112.66 1kpp h LEU 125 Ca 0.00 -0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 1kpp h LEU 125 Cb 0.00 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 1kpp h LEU 125 CO 0.00 0.46 -0.06 1.23 -1.08 0.00 0.00 178.44 178.99 1kpp h GLY 126 N 0.69 0.77 1.13 0.83 0.00 -1.99 -2.11 103.07 102.39 1kpp h GLY 126 Ca 0.19 -0.54 0.08 0.00 0.00 0.00 0.00 47.33 47.05 1kpp h GLY 126 CO -0.04 0.50 0.39 -2.00 0.00 0.00 0.00 176.54 175.39 1kpp h LEU 127 N 0.66 0.43 0.00 3.11 5.85 -1.83 0.22 115.31 123.75 1kpp h LEU 127 Ca 0.12 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 1kpp h LEU 127 Cb 0.50 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1kpp h LEU 127 CO 0.03 0.27 -0.67 0.40 -0.34 0.00 0.00 178.44 178.13 1kpp h ILE 128 N 0.49 0.64 -0.41 4.05 1.08 -1.19 -3.31 117.51 118.86 1kpp h ILE 128 Ca 0.26 -1.97 -0.13 0.00 -0.39 0.00 0.00 64.86 62.63 1kpp h ILE 128 Cb 0.40 2.24 -0.01 0.00 -3.07 0.00 0.00 36.82 36.38 1kpp h ILE 128 CO -0.08 0.37 -0.27 -0.61 -0.69 0.00 0.00 178.15 176.87 1kpp h GLN 129 N 0.00 0.90 -0.78 2.37 4.15 -0.32 -2.51 115.11 118.91 1kpp h GLN 129 Ca -0.04 -0.42 -0.02 0.00 0.77 0.00 0.00 58.65 58.94 1kpp h GLN 129 Cb 1.36 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.00 1kpp h GLN 129 CO 0.05 1.07 0.42 -0.24 -1.93 0.00 0.00 178.83 178.20 1kpp h VAL 130 N 0.72 1.24 -0.75 2.39 3.04 -1.46 -2.62 116.25 118.81 1kpp h VAL 130 Ca 0.08 -0.61 -0.05 0.00 -1.01 0.00 0.00 66.70 65.11 1kpp h VAL 130 Cb 0.84 0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 30.30 1kpp h VAL 130 CO 0.07 0.27 0.25 0.24 -1.01 0.00 0.00 177.57 177.39 1kpp h MET 131 N 1.09 1.15 -0.34 4.17 2.86 -1.62 0.29 114.93 122.52 1kpp h MET 131 Ca 0.27 -0.24 0.10 0.00 -2.06 0.00 0.00 59.70 57.78 1kpp h MET 131 Cb 0.05 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1kpp h MET 131 CO -0.04 0.96 0.28 0.97 1.06 0.00 0.00 176.91 180.14 1kpp h ILE 132 N 1.10 0.66 0.00 -1.22 6.09 -1.06 0.33 117.51 123.41 1kpp h ILE 132 Ca 0.24 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.46 1kpp h ILE 132 Cb 0.28 0.79 -0.04 0.00 0.47 0.00 0.00 36.82 38.33 1kpp h ILE 132 CO -0.01 0.00 -1.68 0.52 -3.07 0.00 0.00 178.15 173.91 1kpp n VAL 133 N -4.17 1.52 -0.22 2.19 0.31 -0.88 -2.44 118.33 114.63 1kpp n VAL 133 Ca 0.05 -0.13 0.12 0.00 -0.01 0.00 0.00 64.34 64.37 1kpp n VAL 133 Cb 0.45 -2.05 0.42 0.00 -0.91 0.00 0.00 33.84 31.75 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 0.86 0.00 2.52 2.07 -0.27 0.36 116.25 120.78 1kpp h VAL 134 Ca -0.42 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1kpp h VAL 134 Cb 1.31 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1kpp h VAL 134 CO -0.25 0.11 -1.34 0.49 0.02 0.00 0.00 177.57 176.60 1kpp n PHE 135 N -4.52 0.77 0.17 1.57 3.01 0.11 -2.92 117.46 115.66 1kpp n PHE 135 Ca 0.15 0.24 0.09 0.00 1.01 0.00 0.00 57.45 58.94 1kpp n PHE 135 Cb 0.44 -0.92 0.10 0.00 -0.01 0.00 0.00 39.48 39.09 1kpp n PHE 135 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1kpp h GLY 136 N 3.92 0.00 0.14 1.37 0.00 -0.77 -3.19 103.07 104.54 1kpp h GLY 136 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.95 1kpp h GLY 136 CO 0.01 0.00 -2.24 1.22 0.00 0.00 0.00 176.54 175.53 1kpp n ASP 137 N -3.06 0.12 -3.16 0.19 9.92 0.11 -4.28 116.55 116.40 1kpp n ASP 137 Ca 0.02 0.06 0.03 0.00 -0.53 0.00 0.00 54.79 54.37 1kpp n ASP 137 Cb 0.60 0.95 -0.00 0.00 -0.64 0.00 0.00 41.12 42.03 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 -2.62 0.63 -0.23 -1.24 -6.30 -1.15 -5.08 118.70 102.71 1kpp s GLU 138 Ca -0.09 0.20 -0.37 0.00 -2.50 0.00 0.00 54.97 52.21 1kpp s GLU 138 Cb 0.07 0.17 -0.13 0.00 0.00 0.00 0.00 34.13 34.24 1kpp s GLU 138 CO 0.84 -1.04 1.90 -2.30 0.02 0.00 0.00 175.26 174.68 1kpp n PRO 139 N 4.96 1.52 -1.17 4.30 -0.02 -1.20 -4.40 135.00 138.98 1kpp n PRO 139 Ca 0.08 0.53 -0.20 0.00 -2.02 0.00 0.00 63.50 61.89 1kpp n PRO 139 Cb 0.56 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 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 6.49 2.07 0.00 0.52 -0.04 -1.26 -3.85 135.00 138.93 1kpp n PRO 140 Ca 0.28 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 1kpp n PRO 140 Cb 0.21 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 1kpp n PRO 140 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1kpp n VAL 141 N 0.89 0.00 0.00 0.52 0.24 -1.26 -4.20 118.33 114.53 1kpp n VAL 141 Ca 0.39 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.69 1kpp n VAL 141 Cb 0.60 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1kpp n VAL 141 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1kpp n PHE 142 N -1.66 0.00 -2.58 6.34 7.35 -1.25 -0.24 117.46 125.42 1kpp n PHE 142 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 1kpp n PHE 142 Cb 0.08 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 39.90 1kpp n PHE 142 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1kpp n SER 143 N -0.01 -1.35 -4.27 -2.13 2.88 -1.26 -4.36 113.62 103.12 1kpp n SER 143 Ca 0.00 0.39 -0.44 0.00 -1.33 0.00 0.00 58.87 57.49 1kpp n SER 143 Cb 0.00 -1.28 -0.07 0.00 -0.75 0.00 0.00 64.21 62.12 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 -5.10 2.77 0.00 -1.46 3.52 -1.26 -4.80 118.95 112.62 1kpp s ARG 144 Ca 0.04 -1.72 0.00 0.00 -0.13 0.00 0.00 55.73 53.92 1kpp s ARG 144 Cb -0.02 -4.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 1kpp s ARG 144 CO 0.05 -1.26 0.17 -2.30 -0.81 0.00 0.00 175.30 171.14