#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 0.45 -1.08 0.00 0.24 -1.26 -4.97 118.33 111.71 1kpp n VAL 3 Ca 0.00 -4.56 -0.18 0.00 -2.04 0.00 0.00 64.34 57.57 1kpp n VAL 3 Cb 0.00 -1.55 0.14 0.00 -1.47 0.00 0.00 33.84 30.96 1kpp n VAL 3 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1kpp n SER 4 N 0.87 -1.07 -0.27 -1.34 7.64 -1.26 -4.65 113.62 113.54 1kpp n SER 4 Ca 0.25 -1.03 0.01 0.00 1.01 0.00 0.00 58.87 59.10 1kpp n SER 4 Cb 0.52 -0.61 0.21 0.00 -1.01 0.00 0.00 64.21 63.33 1kpp n SER 4 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1kpp h GLU 5 N 0.00 1.07 0.09 1.43 4.81 -1.99 0.85 114.58 120.85 1kpp h GLU 5 Ca -0.25 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1kpp h GLU 5 Cb 0.74 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1kpp h GLU 5 CO 0.17 0.71 -0.05 1.03 -0.73 0.00 0.00 179.01 180.14 1kpp h SER 6 N 1.10 -0.11 0.29 1.04 0.87 -2.01 -2.38 113.55 112.35 1kpp h SER 6 Ca 0.32 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 1kpp h SER 6 Cb -0.05 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1kpp h SER 6 CO -0.08 -0.03 -0.38 -0.61 -0.53 0.00 0.00 176.83 175.20 1kpp h GLN 7 N -0.18 0.13 -0.58 2.24 5.75 -1.82 -3.03 115.11 117.62 1kpp h GLN 7 Ca -0.01 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1kpp h GLN 7 Cb 0.14 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1kpp h GLN 7 CO 0.02 0.50 0.37 1.25 -2.65 0.00 0.00 178.83 178.32 1kpp h LEU 8 N 0.11 0.62 -0.60 -2.39 5.85 -0.51 -1.50 115.31 116.88 1kpp h LEU 8 Ca 0.01 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1kpp h LEU 8 Cb 0.73 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1kpp h LEU 8 CO 0.05 0.44 0.35 0.50 -0.34 0.00 0.00 178.44 179.44 1kpp h LYS 9 N 0.74 0.66 -0.05 1.25 3.64 -1.31 0.21 116.57 121.71 1kpp h LYS 9 Ca 0.23 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1kpp h LYS 9 Cb -0.03 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1kpp h LYS 9 CO -0.08 0.43 -0.25 0.87 -2.27 0.00 0.00 179.45 178.16 1kpp h LYS 10 N 0.68 0.08 0.03 1.90 1.57 -1.46 0.35 116.57 119.71 1kpp h LYS 10 Ca 0.25 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.79 1kpp h LYS 10 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1kpp h LYS 10 CO -0.13 0.32 -1.03 0.52 -0.57 0.00 0.00 179.45 178.56 1kpp h MET 11 N 0.07 0.09 -0.52 3.15 2.86 -0.24 -3.24 114.93 117.09 1kpp h MET 11 Ca 0.01 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1kpp h MET 11 Cb 0.48 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1kpp h MET 11 CO 0.03 1.04 0.01 1.33 1.06 0.00 0.00 176.91 180.38 1kpp n VAL 12 N -3.45 2.70 0.08 -2.22 0.24 0.62 -4.37 118.33 111.93 1kpp n VAL 12 Ca -0.03 -1.52 -0.08 0.00 -2.04 0.00 0.00 64.34 60.68 1kpp n VAL 12 Cb 0.93 -0.28 -0.07 0.00 -1.47 0.00 0.00 33.84 32.95 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 3.54 0.10 0.23 -1.34 4.64 -0.96 -3.22 113.55 116.53 1kpp h SER 13 Ca 0.01 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 1kpp h SER 13 Cb 1.90 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.95 1kpp h SER 13 CO 0.45 1.01 -0.32 0.50 -0.87 0.00 0.00 176.83 177.61 1kpp h LYS 14 N 0.03 0.14 -7.06 4.77 3.11 -1.80 -3.45 116.57 112.31 1kpp h LYS 14 Ca -0.03 -0.05 -0.54 0.00 -2.81 0.00 0.00 60.65 57.22 1kpp h LYS 14 Cb 1.68 -0.01 0.19 0.00 -1.00 0.00 0.00 32.23 33.09 1kpp h LYS 14 CO 0.14 0.45 0.09 0.66 -2.81 0.00 0.00 179.45 177.98 1kpp n TYR 15 N -4.12 0.57 -0.07 1.91 4.01 -1.22 -4.98 117.16 113.26 1kpp n TYR 15 Ca -0.01 0.38 -0.10 0.00 -0.16 0.00 0.00 57.90 58.00 1kpp n TYR 15 Cb 0.39 -2.03 -0.07 0.00 -0.31 0.00 0.00 39.34 37.31 1kpp n TYR 15 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1kpp h LYS 16 N -0.93 0.00 -3.02 -0.72 1.63 -1.87 -3.39 116.57 108.28 1kpp h LYS 16 Ca -0.46 0.00 -0.77 0.00 -0.85 0.00 0.00 60.65 58.58 1kpp h LYS 16 Cb 1.30 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.76 1kpp h LYS 16 CO 0.44 0.58 1.84 0.66 -3.45 0.00 0.00 179.45 179.52 1kpp n TYR 17 N -4.62 2.68 0.14 1.91 4.02 -1.26 -4.76 117.16 115.27 1kpp n TYR 17 Ca -0.11 -2.74 -0.14 0.00 -0.01 0.00 0.00 57.90 54.90 1kpp n TYR 17 Cb 0.36 -1.72 -0.08 0.00 -0.02 0.00 0.00 39.34 37.88 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 5.20 -0.29 -0.54 -0.72 2.43 -1.85 0.92 114.38 119.54 1kpp h ARG 18 Ca 0.47 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.81 1kpp h ARG 18 Cb 0.50 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1kpp h ARG 18 CO 1.49 -0.12 0.40 -0.44 -1.51 0.00 0.00 179.97 179.79 1kpp h ASP 19 N -0.39 0.00 0.44 -3.80 3.32 -1.95 0.80 116.42 114.84 1kpp h ASP 19 Ca -0.03 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.80 1kpp h ASP 19 Cb 0.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1kpp h ASP 19 CO 0.05 0.00 -1.74 -0.11 -1.72 0.00 0.00 179.24 175.72 1kpp n LEU 20 N -4.30 0.60 0.06 1.55 0.00 -0.96 -2.95 117.00 111.00 1kpp n LEU 20 Ca 0.10 0.27 -0.08 0.00 0.00 0.00 0.00 56.01 56.30 1kpp n LEU 20 Cb 0.63 0.18 -0.12 0.00 0.00 0.00 0.00 43.42 44.10 1kpp n LEU 20 CO 0.36 0.25 0.08 0.74 0.00 0.00 0.00 177.39 178.82 1kpp h THR 21 N 0.00 1.64 0.00 1.96 2.02 0.30 -2.17 112.91 116.66 1kpp h THR 21 Ca -0.25 -3.35 -0.22 0.00 0.77 0.00 0.00 66.41 63.36 1kpp h THR 21 Cb 1.75 2.83 -0.04 0.00 -1.74 0.00 0.00 68.15 70.96 1kpp h THR 21 CO 0.04 0.94 -1.37 0.58 0.37 0.00 0.00 175.52 176.09 1kpp h VAL 22 N 0.01 0.92 0.08 3.16 2.07 0.34 -3.21 116.25 119.61 1kpp h VAL 22 Ca -0.04 -2.59 -0.27 0.00 0.82 0.00 0.00 66.70 64.62 1kpp h VAL 22 Cb 1.80 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 33.95 1kpp h VAL 22 CO 0.13 0.52 -1.30 -0.09 0.02 0.00 0.00 177.57 176.86 1kpp h ARG 23 N 0.00 0.16 -0.34 1.57 2.43 -1.62 -2.84 114.38 113.75 1kpp h ARG 23 Ca -0.17 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 1kpp h ARG 23 Cb 1.78 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.43 1kpp h ARG 23 CO 0.08 1.06 -0.23 0.93 -1.51 0.00 0.00 179.97 180.30 1kpp h GLU 24 N 0.04 0.76 0.28 0.20 5.08 -1.53 -2.14 114.58 117.28 1kpp h GLU 24 Ca -0.14 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1kpp h GLU 24 Cb 1.93 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1kpp h GLU 24 CO 0.16 0.98 -0.14 1.15 -1.00 0.00 0.00 179.01 180.16 1kpp h THR 25 N 0.53 0.67 -0.58 1.13 2.02 -1.66 -3.15 112.91 111.88 1kpp h THR 25 Ca 0.07 -0.75 0.10 0.00 0.77 0.00 0.00 66.41 66.60 1kpp h THR 25 Cb 0.78 1.03 -0.08 0.00 -1.74 0.00 0.00 68.15 68.14 1kpp h THR 25 CO 0.06 0.14 0.13 1.62 0.37 0.00 0.00 175.52 177.83 1kpp h VAL 26 N -0.83 0.67 -0.95 3.16 3.04 -1.58 0.16 116.25 119.91 1kpp h VAL 26 Ca -0.04 -0.09 0.20 0.00 -1.01 0.00 0.00 66.70 65.76 1kpp h VAL 26 Cb 0.51 0.38 -0.08 0.00 -2.01 0.00 0.00 31.29 30.09 1kpp h VAL 26 CO 0.06 0.05 0.61 0.78 -1.01 0.00 0.00 177.57 178.06 1kpp h ASN 27 N 0.26 0.57 0.00 3.17 2.35 -1.44 0.29 115.58 120.79 1kpp h ASN 27 Ca 0.30 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1kpp h ASN 27 Cb 0.43 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1kpp h ASN 27 CO -0.38 0.22 -0.09 0.58 -1.65 0.00 0.00 177.43 176.11 1kpp h VAL 28 N 0.56 0.00 -0.48 2.81 2.07 -1.07 -2.88 116.25 117.26 1kpp h VAL 28 Ca 0.52 -0.64 0.14 0.00 0.82 0.00 0.00 66.70 67.54 1kpp h VAL 28 Cb 1.06 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1kpp h VAL 28 CO -0.26 0.00 0.49 0.16 0.02 0.00 0.00 177.57 177.98 1kpp h ILE 29 N -0.64 0.38 0.00 4.57 3.07 -0.98 0.70 117.51 124.61 1kpp h ILE 29 Ca 0.00 0.00 -0.17 0.00 1.55 0.00 0.00 64.86 66.24 1kpp h ILE 29 Cb 0.09 0.61 -0.03 0.00 -0.27 0.00 0.00 36.82 37.23 1kpp h ILE 29 CO 0.00 0.00 -1.09 0.74 -1.05 0.00 0.00 178.15 176.75 1kpp h THR 30 N 0.00 0.81 0.12 0.16 2.02 -0.55 -2.80 112.91 112.66 1kpp h THR 30 Ca 0.23 -2.32 -0.36 0.00 0.77 0.00 0.00 66.41 64.73 1kpp h THR 30 Cb 1.21 2.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.90 1kpp h THR 30 CO -0.00 0.46 -1.94 -0.07 0.37 0.00 0.00 175.52 174.33 1kpp h LEU 31 N 0.00 0.40 -1.94 2.58 4.07 -0.06 -3.35 115.31 117.01 1kpp h LEU 31 Ca -0.10 -0.87 0.00 0.00 0.08 0.00 0.00 57.88 56.99 1kpp h LEU 31 Cb 1.59 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 43.20 1kpp h LEU 31 CO 0.07 1.77 0.00 0.00 -1.08 0.00 0.00 178.44 179.20 1kpp n TYR 32 N -3.45 0.76 -2.52 1.13 4.19 0.20 -4.95 117.16 112.52 1kpp n TYR 32 Ca -0.30 -0.35 0.00 0.00 3.31 0.00 0.00 57.90 60.56 1kpp n TYR 32 Cb 1.05 -0.05 0.00 0.00 0.49 0.00 0.00 39.34 40.83 1kpp n TYR 32 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1kpp n LYS 33 N 0.86 -0.63 0.00 2.98 4.01 -1.06 -4.19 118.16 120.13 1kpp n LYS 33 Ca 0.17 -0.31 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 1kpp n LYS 33 Cb 0.48 0.56 0.00 0.00 -0.51 0.00 0.00 35.03 35.56 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 0.61 0.00 -4.67 4.39 8.00 -1.25 -5.09 116.55 118.54 1kpp n ASP 34 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1kpp n ASP 34 Cb 0.00 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.77 4.39 -0.21 0.64 2.01 -1.26 -4.70 118.68 116.77 1kpp s LEU 35 Ca 0.00 2.55 -0.10 0.00 0.01 0.00 0.00 54.13 56.58 1kpp s LEU 35 Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.61 1kpp s LEU 35 CO 0.00 -0.98 0.14 -0.75 1.01 0.00 0.00 176.35 175.77 1kpp s LYS 36 N 3.75 4.14 0.29 1.70 2.47 -0.94 -4.66 119.74 126.49 1kpp s LYS 36 Ca 0.81 -0.24 -0.29 0.00 -1.56 0.00 0.00 55.97 54.68 1kpp s LYS 36 Cb -0.40 -3.46 -0.10 0.00 -1.46 0.00 0.00 37.83 32.41 1kpp s LYS 36 CO 0.36 0.21 1.21 -1.25 0.16 0.00 0.00 175.35 176.04 1kpp s PRO 37 N 0.63 4.49 0.15 4.03 0.04 -1.26 -2.23 135.00 140.84 1kpp s PRO 37 Ca 0.08 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.16 1kpp s PRO 37 Cb -0.12 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1kpp s PRO 37 CO 0.01 -0.02 -0.04 0.08 0.04 0.00 0.00 177.00 177.07 1kpp s VAL 38 N -1.01 0.81 -0.25 -0.36 1.01 0.30 -4.94 120.40 115.96 1kpp s VAL 38 Ca 0.48 -1.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 1kpp s VAL 38 Cb -0.36 -1.94 0.08 0.00 0.00 0.00 0.00 36.38 34.17 1kpp s VAL 38 CO 0.46 -0.65 0.09 -0.22 0.00 0.00 0.00 175.10 174.78 1kpp s LEU 39 N -3.14 1.07 -0.10 3.92 1.98 -1.26 -0.71 118.68 120.43 1kpp s LEU 39 Ca 0.19 -1.16 0.02 0.00 -2.89 0.00 0.00 54.13 50.29 1kpp s LEU 39 Cb 0.05 -0.51 0.01 0.00 0.66 0.00 0.00 46.19 46.40 1kpp s LEU 39 CO 0.01 -0.39 -0.18 -0.62 -1.89 0.00 0.00 176.35 173.28 1kpp s ASP 40 N 1.93 2.59 0.04 3.68 2.15 0.27 -4.95 116.67 122.39 1kpp s ASP 40 Ca 0.06 -0.47 -0.18 0.00 0.43 0.00 0.00 52.55 52.40 1kpp s ASP 40 Cb -0.17 -1.18 -0.06 0.00 -0.30 0.00 0.00 42.92 41.22 1kpp s ASP 40 CO -0.23 0.06 0.51 -0.44 -0.17 0.00 0.00 175.17 174.90 1kpp s SER 41 N 0.76 6.97 0.26 -0.34 0.01 -1.26 -2.42 113.70 117.68 1kpp s SER 41 Ca -0.11 1.15 0.08 0.00 1.31 0.00 0.00 55.95 58.38 1kpp s SER 41 Cb -0.16 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 1kpp s SER 41 CO 0.02 0.28 0.12 -0.47 0.41 0.00 0.00 173.24 173.60 1kpp s TYR 42 N -1.04 2.93 0.08 2.43 5.04 -0.62 -4.91 117.35 121.27 1kpp s TYR 42 Ca 0.27 -0.17 0.05 0.00 -2.44 0.00 0.00 57.07 54.79 1kpp s TYR 42 Cb -0.18 -1.33 -0.03 0.00 0.35 0.00 0.00 41.96 40.76 1kpp s TYR 42 CO 0.17 0.55 -0.14 0.14 -1.34 0.00 0.00 175.55 174.93 1kpp s VAL 43 N -2.22 1.12 -1.13 3.14 -7.23 -1.26 -1.53 120.40 111.29 1kpp s VAL 43 Ca 0.33 -1.40 -0.10 0.00 -1.81 0.00 0.00 61.98 59.00 1kpp s VAL 43 Cb -0.07 -1.16 0.27 0.00 0.56 0.00 0.00 36.38 35.98 1kpp s VAL 43 CO 0.23 -0.29 1.15 -0.36 -0.31 0.00 0.00 175.10 175.53 1kpp s PHE 44 N -1.51 4.20 -1.41 2.82 0.08 0.60 -4.58 117.98 118.19 1kpp s PHE 44 Ca 0.00 -2.65 -0.07 0.00 0.12 0.00 0.00 56.93 54.34 1kpp s PHE 44 Cb -0.09 -3.89 0.01 0.00 -0.57 0.00 0.00 43.02 38.48 1kpp s PHE 44 CO 0.02 -1.00 0.87 0.09 -0.10 0.00 0.00 175.22 175.11 1kpp n ASN 45 N 2.99 -6.13 -1.52 1.36 4.13 -1.26 -1.23 115.26 113.60 1kpp n ASN 45 Ca 0.25 -0.40 -0.18 0.00 1.68 0.00 0.00 54.58 55.93 1kpp n ASN 45 Cb 0.39 -4.85 -0.07 0.00 -1.54 0.00 0.00 39.78 33.72 1kpp n ASN 45 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1kpp n ASP 46 N -2.61 -5.25 -0.01 6.41 9.92 -1.26 -4.83 116.55 118.92 1kpp n ASP 46 Ca -0.05 0.39 0.09 0.00 -0.53 0.00 0.00 54.79 54.68 1kpp n ASP 46 Cb 0.59 -4.37 -0.13 0.00 -0.64 0.00 0.00 41.12 36.58 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 -0.75 -0.75 3.64 0.44 0.00 -0.36 -5.00 105.19 102.42 1kpp n GLY 47 Ca -0.19 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 1kpp n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kpp s SER 48 N -3.66 -0.37 0.56 1.61 1.04 -1.25 -4.94 113.70 106.69 1kpp s SER 48 Ca -0.03 0.63 0.09 0.00 0.48 0.00 0.00 55.95 57.12 1kpp s SER 48 Cb 0.12 0.99 0.08 0.00 0.10 0.00 0.00 66.02 67.30 1kpp s SER 48 CO 0.72 -0.10 0.76 -0.44 0.98 0.00 0.00 173.24 175.16 1kpp s SER 49 N 0.91 5.14 -0.29 7.02 0.01 -1.26 -0.29 113.70 124.94 1kpp s SER 49 Ca -0.05 -0.82 -0.25 0.00 1.31 0.00 0.00 55.95 56.15 1kpp s SER 49 Cb -0.04 0.21 0.18 0.00 0.21 0.00 0.00 66.02 66.58 1kpp s SER 49 CO -0.12 -1.28 1.38 0.00 0.41 0.00 0.00 173.24 173.62 1kpp s ARG 50 N -4.63 0.13 0.03 12.44 1.70 -0.58 -4.94 118.95 123.10 1kpp s ARG 50 Ca 0.60 0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 55.71 1kpp s ARG 50 Cb -0.06 0.06 -0.05 0.00 -0.57 0.00 0.00 34.95 34.33 1kpp s ARG 50 CO 0.38 -0.02 1.21 -2.00 -1.08 0.00 0.00 175.30 173.79 1kpp s GLU 51 N 0.03 4.40 -0.02 3.89 2.56 -1.26 -1.59 118.70 126.72 1kpp s GLU 51 Ca 0.07 1.75 0.01 0.00 0.00 0.00 0.00 54.97 56.80 1kpp s GLU 51 Cb -0.05 -3.41 0.01 0.00 2.00 0.00 0.00 34.13 32.67 1kpp s GLU 51 CO -0.14 -0.32 -0.04 -1.17 -0.56 0.00 0.00 175.26 173.03 1kpp s LEU 52 N 1.43 1.73 0.07 2.70 2.96 -1.02 -4.91 118.68 121.65 1kpp s LEU 52 Ca 0.58 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 1kpp s LEU 52 Cb -0.28 -0.29 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 1kpp s LEU 52 CO 0.27 0.01 0.08 -0.32 -1.32 0.00 0.00 176.35 175.08 1kpp s MET 53 N 0.27 2.91 0.14 1.98 -2.45 -1.26 0.98 119.30 121.87 1kpp s MET 53 Ca -0.03 -0.67 -0.10 0.00 -1.25 0.00 0.00 55.69 53.64 1kpp s MET 53 Cb -0.06 -2.74 -0.00 0.00 1.25 0.00 0.00 34.83 33.27 1kpp s MET 53 CO -0.00 0.57 0.28 0.54 1.05 0.00 0.00 175.02 177.46 1kpp s ASN 54 N -2.35 0.03 -0.11 1.11 2.20 0.11 -2.53 114.94 113.41 1kpp s ASN 54 Ca 0.29 -0.76 0.01 0.00 -0.94 0.00 0.00 52.86 51.46 1kpp s ASN 54 Cb -0.12 0.42 0.02 0.00 -2.00 0.00 0.00 41.25 39.57 1kpp s ASN 54 CO 0.22 -0.86 -0.12 -0.76 -2.94 0.00 0.00 177.10 172.65 1kpp s LEU 55 N -2.93 1.51 -0.09 3.54 1.43 -0.70 0.11 118.68 121.54 1kpp s LEU 55 Ca 0.13 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1kpp s LEU 55 Cb 0.03 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.30 1kpp s LEU 55 CO -0.04 -0.04 -0.23 -0.89 0.23 0.00 0.00 176.35 175.38 1kpp s THR 56 N 1.24 2.15 0.01 5.49 2.01 -0.95 -0.06 115.64 125.54 1kpp s THR 56 Ca -0.03 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 1kpp s THR 56 Cb -0.14 -1.82 0.04 0.00 0.01 0.00 0.00 72.50 70.59 1kpp s THR 56 CO -0.04 0.56 0.50 0.61 -0.69 0.00 0.00 174.62 175.56 1kpp n GLY 57 N 3.40 0.61 3.38 4.40 0.00 -1.21 -2.20 105.19 113.57 1kpp n GLY 57 Ca -0.19 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.17 2.18 -0.16 2.61 -4.23 -1.26 -2.11 115.64 110.51 1kpp s THR 58 Ca 0.12 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 1kpp s THR 58 Cb -0.01 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 71.91 1kpp s THR 58 CO 0.00 -0.02 -0.03 0.27 -0.54 0.00 0.00 174.62 174.31 1kpp s ILE 59 N -1.32 0.90 1.06 2.99 -4.36 -1.19 -4.76 121.20 114.52 1kpp s ILE 59 Ca 0.15 -0.52 -0.19 0.00 -0.26 0.00 0.00 60.65 59.83 1kpp s ILE 59 Cb -0.09 -1.14 0.02 0.00 1.25 0.00 0.00 42.46 42.50 1kpp s ILE 59 CO 0.07 0.08 -0.25 -2.65 0.24 0.00 0.00 174.94 172.43 1kpp n PRO 60 N 4.94 -0.99 -3.55 0.37 -0.02 -1.26 -1.46 135.00 133.03 1kpp n PRO 60 Ca -0.11 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 1kpp n PRO 60 Cb 0.48 -1.56 -0.06 0.00 -0.02 0.00 0.00 33.50 32.34 1kpp n PRO 60 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1kpp s VAL 61 N -2.21 -0.10 -0.28 -1.45 0.11 0.35 -4.71 120.40 112.12 1kpp s VAL 61 Ca 0.52 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.28 1kpp s VAL 61 Cb -0.10 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1kpp s VAL 61 CO 0.67 0.00 1.29 -2.16 -3.33 0.00 0.00 175.10 171.58 1kpp s PRO 62 N 1.54 3.97 -0.15 1.54 0.04 -1.26 0.11 135.00 140.78 1kpp s PRO 62 Ca -0.06 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 1kpp s PRO 62 Cb -0.03 -3.86 0.04 0.00 0.04 0.00 0.00 34.50 30.69 1kpp s PRO 62 CO -0.14 -1.05 0.38 -0.47 0.04 0.00 0.00 177.00 175.76 1kpp s TYR 63 N 4.23 -0.46 -2.18 0.56 5.04 0.12 -4.81 117.35 119.86 1kpp s TYR 63 Ca 0.56 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 1kpp s TYR 63 Cb -0.17 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.30 1kpp s TYR 63 CO 0.22 -0.24 0.00 0.54 -1.34 0.00 0.00 175.55 174.73 1kpp n ARG 64 N 3.26 -1.47 -0.67 4.97 1.74 -1.26 -0.78 116.66 122.45 1kpp n ARG 64 Ca -0.16 1.22 0.00 0.00 -0.77 0.00 0.00 57.85 58.13 1kpp n ARG 64 Cb 0.57 -5.62 0.00 0.00 -1.02 0.00 0.00 32.46 26.38 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 -0.46 0.75 3.57 -0.13 0.00 -1.26 -5.03 105.19 102.62 1kpp n GLY 65 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.48 3.12 -0.48 1.61 2.47 0.04 -5.11 114.94 114.10 1kpp s ASN 66 Ca 0.00 -1.57 -0.11 0.00 0.42 0.00 0.00 52.86 51.60 1kpp s ASN 66 Cb 0.00 0.29 0.12 0.00 -1.45 0.00 0.00 41.25 40.21 1kpp s ASN 66 CO 0.00 -0.79 0.38 -0.89 -3.72 0.00 0.00 177.10 172.07 1kpp s THR 67 N -3.10 4.48 0.41 -5.21 2.01 -1.26 0.16 115.64 113.13 1kpp s THR 67 Ca 0.23 -1.67 -0.03 0.00 0.31 0.00 0.00 61.69 60.53 1kpp s THR 67 Cb 0.04 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1kpp s THR 67 CO 0.12 -0.77 0.68 -0.47 -0.69 0.00 0.00 174.62 173.48 1kpp s TYR 68 N 1.43 3.53 -0.17 4.92 5.04 0.29 -4.73 117.35 127.66 1kpp s TYR 68 Ca 0.05 0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 55.29 1kpp s TYR 68 Cb -0.27 -2.13 -0.01 0.00 0.35 0.00 0.00 41.96 39.91 1kpp s TYR 68 CO 0.01 -0.09 -0.11 -0.80 -1.34 0.00 0.00 175.55 173.22 1kpp s ASN 69 N -4.00 3.96 -0.55 4.32 -0.87 -1.26 0.13 114.94 116.67 1kpp s ASN 69 Ca 0.44 -0.40 -0.06 0.00 -1.57 0.00 0.00 52.86 51.28 1kpp s ASN 69 Cb -0.10 -1.63 0.14 0.00 -0.02 0.00 0.00 41.25 39.64 1kpp s ASN 69 CO 0.40 0.08 0.38 -0.63 -2.57 0.00 0.00 177.10 174.76 1kpp s ILE 70 N 0.88 3.91 0.49 0.60 -1.09 -0.54 -4.87 121.20 120.58 1kpp s ILE 70 Ca -0.03 -2.37 -0.24 0.00 -2.23 0.00 0.00 60.65 55.78 1kpp s ILE 70 Cb -0.15 -3.57 -0.07 0.00 -1.58 0.00 0.00 42.46 37.09 1kpp s ILE 70 CO -0.00 -0.82 1.39 -2.84 -1.23 0.00 0.00 174.94 171.44 1kpp s PRO 71 N 0.65 3.47 -0.21 2.79 0.02 -1.26 -3.17 135.00 137.29 1kpp s PRO 71 Ca 0.12 2.31 -0.19 0.00 0.02 0.00 0.00 61.00 63.27 1kpp s PRO 71 Cb -0.22 -2.49 0.06 0.00 0.02 0.00 0.00 34.50 31.87 1kpp s PRO 71 CO -0.03 -0.95 0.56 0.96 -0.33 0.00 0.00 177.00 177.20 1kpp s ILE 72 N -1.26 -0.00 0.29 2.83 -0.00 -0.89 -4.12 121.20 118.05 1kpp s ILE 72 Ca 0.65 0.01 0.05 0.00 -0.00 0.00 0.00 60.65 61.36 1kpp s ILE 72 Cb -0.42 -0.78 -0.02 0.00 -0.00 0.00 0.00 42.46 41.25 1kpp s ILE 72 CO 0.52 0.00 0.42 0.00 -0.00 0.00 0.00 174.94 175.88 1kpp s LEU 74 N -4.09 1.79 0.09 0.00 0.20 0.91 -2.71 118.68 114.86 1kpp s LEU 74 Ca 0.39 -0.24 0.08 0.00 0.69 0.00 0.00 54.13 55.05 1kpp s LEU 74 Cb -0.09 -0.68 -0.04 0.00 -0.43 0.00 0.00 46.19 44.95 1kpp s LEU 74 CO 0.30 0.08 -0.16 0.26 -0.29 0.00 0.00 176.35 176.55 1kpp s TRP 75 N 0.23 2.61 0.10 5.38 0.23 -0.43 -1.73 118.94 125.32 1kpp s TRP 75 Ca -0.05 -0.22 0.03 0.00 -2.03 0.00 0.00 56.10 53.83 1kpp s TRP 75 Cb -0.10 -1.41 -0.04 0.00 0.03 0.00 0.00 33.47 31.95 1kpp s TRP 75 CO 0.01 0.36 -0.10 -0.51 0.96 0.00 0.00 176.95 177.67 1kpp s LEU 76 N -1.93 2.41 0.10 2.99 1.02 -1.05 -2.20 118.68 120.02 1kpp s LEU 76 Ca 0.18 -0.82 0.02 0.00 0.02 0.00 0.00 54.13 53.53 1kpp s LEU 76 Cb -0.11 -0.27 -0.04 0.00 0.02 0.00 0.00 46.19 45.79 1kpp s LEU 76 CO 0.09 -0.28 -0.07 -1.48 0.02 0.00 0.00 176.35 174.63 1kpp s LEU 77 N -2.48 2.49 0.23 1.79 -0.00 -1.26 -4.56 118.68 114.89 1kpp s LEU 77 Ca 0.05 -0.96 0.08 0.00 -0.00 0.00 0.00 54.13 53.30 1kpp s LEU 77 Cb -0.02 -0.13 0.21 0.00 -0.00 0.00 0.00 46.19 46.25 1kpp s LEU 77 CO -0.00 -0.41 1.52 -0.78 -0.00 0.00 0.00 176.35 176.68 1kpp h ASP 78 N 3.11 0.09 0.00 1.48 1.82 -1.94 -3.46 116.42 117.53 1kpp h ASP 78 Ca -0.36 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1kpp h ASP 78 Cb 1.17 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1kpp h ASP 78 CO 0.62 0.76 0.00 0.35 -1.61 0.00 0.00 179.24 179.36 1kpp n THR 79 N -3.74 0.00 -2.62 2.25 -2.24 -1.26 -3.80 114.28 102.87 1kpp n THR 79 Ca -0.02 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 1kpp n THR 79 Cb 0.69 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 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 -0.91 3.44 -0.02 4.78 2.02 -1.26 -2.50 117.35 122.90 1kpp s TYR 80 Ca 0.00 1.32 -0.21 0.00 -0.37 0.00 0.00 57.07 57.81 1kpp s TYR 80 Cb 0.00 -2.67 -0.26 0.00 -0.40 0.00 0.00 41.96 38.64 1kpp s TYR 80 CO 0.00 -0.24 1.03 -1.00 -1.57 0.00 0.00 175.55 173.77 1kpp h PRO 81 N 1.17 0.33 0.00 -1.71 0.13 -1.99 -3.43 132.00 126.50 1kpp h PRO 81 Ca -0.47 -0.40 -0.01 0.00 -0.87 0.00 0.00 66.00 64.25 1kpp h PRO 81 Cb 1.18 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1kpp h PRO 81 CO 0.62 1.11 -0.77 2.48 -0.23 0.00 0.00 178.00 181.21 1kpp n TYR 82 N -4.25 0.00 0.00 1.56 0.18 -1.23 -5.08 117.16 108.33 1kpp n TYR 82 Ca -0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.67 1kpp n TYR 82 Cb 0.68 -0.38 0.00 0.00 -0.38 0.00 0.00 39.34 39.26 1kpp n TYR 82 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1kpp n ASN 83 N -4.21 0.00 -4.52 9.48 4.13 -1.04 -4.95 115.26 114.15 1kpp n ASN 83 Ca -0.11 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.72 1kpp n ASN 83 Cb 0.40 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1kpp n PRO 84 N 0.00 0.90 -2.42 3.52 -0.02 -1.26 -4.78 135.00 130.95 1kpp n PRO 84 Ca 0.00 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 1kpp n PRO 84 Cb 0.00 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1kpp n PRO 84 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kpp s PRO 85 N -1.66 3.60 0.37 0.52 0.04 -1.26 -4.87 135.00 131.74 1kpp s PRO 85 Ca 0.62 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 1kpp s PRO 85 Cb -0.64 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.79 1kpp s PRO 85 CO 0.58 -0.62 0.71 0.42 0.04 0.00 0.00 177.00 178.13 1kpp s ILE 86 N -1.88 4.85 0.01 0.56 1.09 -0.93 -4.96 121.20 119.94 1kpp s ILE 86 Ca 0.70 0.47 0.07 0.00 -1.10 0.00 0.00 60.65 60.79 1kpp s ILE 86 Cb -0.20 -3.73 -0.02 0.00 -1.06 0.00 0.00 42.46 37.45 1kpp s ILE 86 CO 0.23 -0.46 -0.22 0.00 -0.10 0.00 0.00 174.94 174.40 1kpp s PHE 88 N -0.65 -0.21 -0.04 0.00 0.08 -1.10 -3.99 117.98 112.06 1kpp s PHE 88 Ca 0.08 0.16 0.06 0.00 0.12 0.00 0.00 56.93 57.34 1kpp s PHE 88 Cb -0.09 0.17 -0.02 0.00 -0.57 0.00 0.00 43.02 42.52 1kpp s PHE 88 CO 0.01 -0.54 -0.20 0.14 -0.10 0.00 0.00 175.22 174.52 1kpp s VAL 89 N -2.42 2.54 -0.48 -0.44 -7.23 0.24 0.11 120.40 112.72 1kpp s VAL 89 Ca -0.06 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.24 1kpp s VAL 89 Cb -0.01 -1.95 0.17 0.00 0.56 0.00 0.00 36.38 35.16 1kpp s VAL 89 CO -0.02 0.58 0.39 0.29 -0.31 0.00 0.00 175.10 176.03 1kpp n LYS 90 N 2.48 0.59 -1.04 4.82 4.01 -1.26 -4.65 118.16 123.11 1kpp n LYS 90 Ca -0.17 -3.47 -0.30 0.00 -0.51 0.00 0.00 58.31 53.86 1kpp n LYS 90 Cb 0.52 -1.79 0.23 0.00 -0.51 0.00 0.00 35.03 33.48 1kpp n LYS 90 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1kpp s PRO 91 N -0.36 -1.10 0.59 1.97 0.04 -1.26 -4.72 135.00 130.15 1kpp s PRO 91 Ca 0.31 0.04 -0.00 0.00 0.04 0.00 0.00 61.00 61.40 1kpp s PRO 91 Cb 0.03 -1.60 0.04 0.00 0.04 0.00 0.00 34.50 33.01 1kpp s PRO 91 CO -0.19 -3.65 0.83 0.95 0.04 0.00 0.00 177.00 174.98 1kpp s THR 92 N -2.94 2.57 0.54 1.26 -4.23 -1.26 -4.95 115.64 106.63 1kpp s THR 92 Ca 0.70 -0.59 0.22 0.00 -1.18 0.00 0.00 61.69 60.83 1kpp s THR 92 Cb -0.12 -2.98 0.32 0.00 1.34 0.00 0.00 72.50 71.06 1kpp s THR 92 CO 0.57 0.00 2.14 0.28 -0.54 0.00 0.00 174.62 177.06 1kpp h SER 93 N -0.08 0.00 0.85 3.99 0.02 -2.02 -0.76 113.55 115.56 1kpp h SER 93 Ca -0.42 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.36 1kpp h SER 93 Cb 1.30 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 1kpp h SER 93 CO 0.53 0.00 -0.78 -1.28 -1.14 0.00 0.00 176.83 174.16 1kpp h SER 94 N 0.00 0.00 -2.97 3.07 0.87 -2.00 -3.45 113.55 109.06 1kpp h SER 94 Ca 0.05 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.15 1kpp h SER 94 Cb 0.23 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 62.30 1kpp h SER 94 CO -0.00 0.78 0.23 -0.04 -0.53 0.00 0.00 176.83 177.27 1kpp s MET 95 N -3.15 1.37 0.12 2.24 1.00 -0.29 -4.77 119.30 115.82 1kpp s MET 95 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 55.69 54.94 1kpp s MET 95 Cb 0.11 -2.14 -0.01 0.00 0.00 0.00 0.00 34.83 32.79 1kpp s MET 95 CO 0.79 -1.77 0.10 2.41 0.00 0.00 0.00 175.02 176.55 1kpp n THR 96 N -3.17 0.00 -3.82 2.05 -1.04 -0.67 -4.75 114.28 102.89 1kpp n THR 96 Ca 0.14 -0.88 -0.30 0.00 -2.04 0.00 0.00 64.05 60.97 1kpp n THR 96 Cb 0.60 0.43 -0.14 0.00 -1.82 0.00 0.00 70.33 69.40 1kpp n THR 96 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1kpp s ILE 97 N -2.46 1.77 -0.47 12.58 -1.09 -1.26 -4.15 121.20 126.12 1kpp s ILE 97 Ca 0.14 -2.61 -0.27 0.00 -2.23 0.00 0.00 60.65 55.68 1kpp s ILE 97 Cb 0.01 -2.26 -0.03 0.00 -1.58 0.00 0.00 42.46 38.60 1kpp s ILE 97 CO 0.10 -0.81 1.99 -0.75 -1.23 0.00 0.00 174.94 174.24 1kpp s LYS 98 N 0.38 2.76 0.27 2.79 2.47 0.22 -4.92 119.74 123.71 1kpp s LYS 98 Ca 0.16 1.13 -0.31 0.00 -1.56 0.00 0.00 55.97 55.39 1kpp s LYS 98 Cb -0.23 -4.37 -0.12 0.00 -1.46 0.00 0.00 37.83 31.64 1kpp s LYS 98 CO -0.04 -2.54 1.57 0.25 0.16 0.00 0.00 175.35 174.75 1kpp n THR 99 N 7.48 0.88 0.00 3.43 -2.24 -1.25 -4.71 114.28 117.87 1kpp n THR 99 Ca 0.25 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1kpp n THR 99 Cb 0.51 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 1kpp n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kpp n GLY 100 N 2.36 3.82 0.11 3.38 0.00 -0.94 -5.00 105.19 108.92 1kpp n GLY 100 Ca 0.10 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1kpp n GLY 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kpp n LYS 101 N 0.00 0.68 -0.05 1.61 4.81 -1.26 -4.67 118.16 119.28 1kpp n LYS 101 Ca 0.00 0.03 -0.06 0.00 -0.87 0.00 0.00 58.31 57.41 1kpp n LYS 101 Cb 0.00 -1.52 -0.06 0.00 0.02 0.00 0.00 35.03 33.47 1kpp n LYS 101 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1kpp n HIS 102 N -2.87 0.00 -3.00 5.64 8.25 -1.26 -4.82 115.22 117.16 1kpp n HIS 102 Ca -0.36 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.66 1kpp n HIS 102 Cb 1.12 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1kpp n HIS 102 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1kpp n VAL 103 N -2.56 4.30 -0.64 1.59 0.31 -1.25 -3.34 118.33 116.74 1kpp n VAL 103 Ca -0.17 -4.82 -0.10 0.00 -0.01 0.00 0.00 64.34 59.25 1kpp n VAL 103 Cb 0.75 -2.48 0.08 0.00 -0.91 0.00 0.00 33.84 31.28 1kpp n VAL 103 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1kpp n ASP 104 N 5.22 -1.44 -0.26 4.52 5.68 -1.23 -2.22 116.55 126.82 1kpp n ASP 104 Ca 0.35 -0.68 0.09 0.00 -0.50 0.00 0.00 54.79 54.04 1kpp n ASP 104 Cb 0.42 -0.32 0.40 0.00 -1.14 0.00 0.00 41.12 40.48 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kpp n ALA 105 N -3.62 2.55 -1.24 2.12 0.00 -1.26 -3.51 120.51 115.56 1kpp n ALA 105 Ca -0.07 -0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.10 1kpp n ALA 105 Cb 0.19 -1.17 0.22 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.24 3.01 -2.22 0.00 4.13 -1.26 -4.94 115.26 113.74 1kpp n ASN 106 Ca 0.13 -3.41 -0.17 0.00 1.68 0.00 0.00 54.58 52.81 1kpp n ASN 106 Cb 0.18 -0.58 -0.02 0.00 -1.54 0.00 0.00 39.78 37.81 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 -0.91 -0.05 3.93 7.41 0.00 -1.23 -4.85 105.19 109.49 1kpp n GLY 107 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.71 3.48 -0.25 1.61 2.20 -1.26 0.80 119.74 121.61 1kpp s LYS 108 Ca 0.00 -0.12 0.17 0.00 -0.36 0.00 0.00 55.97 55.65 1kpp s LYS 108 Cb 0.00 -2.54 0.48 0.00 -1.51 0.00 0.00 37.83 34.26 1kpp s LYS 108 CO 0.00 -0.02 1.15 -0.89 -0.36 0.00 0.00 175.35 175.23 1kpp n ILE 109 N -2.00 1.71 -1.60 5.43 -0.00 -1.22 -3.50 119.36 118.18 1kpp n ILE 109 Ca -0.02 -3.31 -0.38 0.00 -0.00 0.00 0.00 62.75 59.04 1kpp n ILE 109 Cb 0.56 0.30 -0.03 0.00 -0.00 0.00 0.00 39.64 40.46 1kpp n ILE 109 CO 0.00 0.00 0.00 -0.72 -0.00 0.00 0.00 176.55 175.83 1kpp s TYR 110 N -3.48 1.13 0.00 1.39 1.13 -1.21 -4.94 117.35 111.37 1kpp s TYR 110 Ca 0.37 1.31 0.02 0.00 -1.41 0.00 0.00 57.07 57.36 1kpp s TYR 110 Cb 0.36 -3.69 -0.04 0.00 -1.10 0.00 0.00 41.96 37.50 1kpp s TYR 110 CO -0.02 -2.85 -0.02 -0.51 -2.51 0.00 0.00 175.55 169.65 1kpp s LEU 111 N 11.19 3.41 0.28 -3.49 1.43 -1.26 -4.47 118.68 125.77 1kpp s LEU 111 Ca 0.96 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1kpp s LEU 111 Cb -0.20 -1.96 0.53 0.00 0.03 0.00 0.00 46.19 44.59 1kpp s LEU 111 CO 0.28 0.28 1.83 -0.65 0.23 0.00 0.00 176.35 178.32 1kpp h PRO 112 N 4.37 0.94 -0.02 1.29 0.11 -1.96 0.90 132.00 137.64 1kpp h PRO 112 Ca -0.49 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.51 1kpp h PRO 112 Cb 1.17 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1kpp h PRO 112 CO 0.56 0.62 -0.23 -0.92 -0.21 0.00 0.00 178.00 177.83 1kpp h TYR 113 N 0.97 0.04 0.03 0.65 3.20 -1.95 -2.32 116.97 117.59 1kpp h TYR 113 Ca 0.48 -0.01 -0.31 0.00 3.14 0.00 0.00 58.73 62.04 1kpp h TYR 113 Cb 0.47 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1kpp h TYR 113 CO -0.01 0.26 -1.80 -0.11 -1.64 0.00 0.00 178.16 174.86 1kpp n LEU 114 N -4.26 1.30 0.01 2.82 -0.00 -0.07 -3.48 117.00 113.32 1kpp n LEU 114 Ca -0.02 0.35 -0.11 0.00 -0.00 0.00 0.00 56.01 56.23 1kpp n LEU 114 Cb 0.29 -0.14 -0.06 0.00 -0.00 0.00 0.00 43.42 43.51 1kpp n LEU 114 CO 0.37 0.51 0.88 -0.74 -0.00 0.00 0.00 177.39 178.42 1kpp h HIS 115 N 0.02 0.04 -0.89 1.96 2.76 0.98 -2.46 115.15 117.55 1kpp h HIS 115 Ca -0.33 0.00 -0.51 0.00 -2.20 0.00 0.00 60.37 57.34 1kpp h HIS 115 Cb 2.03 -0.01 -0.27 0.00 1.55 0.00 0.00 27.41 30.70 1kpp h HIS 115 CO 0.02 0.02 0.65 -0.85 -1.30 0.00 0.00 177.93 176.48 1kpp n GLU 116 N -5.07 2.24 -3.33 5.26 0.28 -0.89 -4.95 120.64 114.18 1kpp n GLU 116 Ca -0.06 -2.77 -0.38 0.00 -0.16 0.00 0.00 57.16 53.80 1kpp n GLU 116 Cb 0.04 -2.08 -0.06 0.00 1.43 0.00 0.00 31.44 30.77 1kpp n GLU 116 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1kpp s TRP 117 N -3.10 3.69 -0.14 -1.84 -0.11 -0.93 -5.01 118.94 111.50 1kpp s TRP 117 Ca 0.53 1.09 -0.09 0.00 1.22 0.00 0.00 56.10 58.85 1kpp s TRP 117 Cb 0.44 -2.47 0.05 0.00 -1.50 0.00 0.00 33.47 29.98 1kpp s TRP 117 CO 0.06 0.46 0.34 -1.59 -4.62 0.00 0.00 176.95 171.60 1kpp s LYS 118 N -0.50 0.34 1.06 5.86 -2.85 -1.26 -5.00 119.74 117.38 1kpp s LYS 118 Ca 0.27 0.61 -0.23 0.00 -1.00 0.00 0.00 55.97 55.62 1kpp s LYS 118 Cb -0.17 0.02 -0.05 0.00 -2.06 0.00 0.00 37.83 35.57 1kpp s LYS 118 CO 0.15 -0.12 -0.76 -2.39 0.10 0.00 0.00 175.35 172.33 1kpp n HIS 119 N 3.80 -1.47 1.69 1.78 -0.00 -1.26 -3.87 115.22 115.89 1kpp n HIS 119 Ca -0.20 0.39 0.06 0.00 -0.00 0.00 0.00 57.72 57.97 1kpp n HIS 119 Cb 0.55 -1.48 0.30 0.00 -0.00 0.00 0.00 29.99 29.36 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 0.24 1.25 0.00 -1.40 -0.05 -1.26 -4.80 135.00 128.99 1kpp n PRO 120 Ca -0.01 -0.39 0.09 0.00 -0.05 0.00 0.00 63.50 63.15 1kpp n PRO 120 Cb 0.68 -1.22 0.44 0.00 -0.05 0.00 0.00 33.50 33.36 1kpp n PRO 120 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 1kpp n GLN 121 N -0.31 0.19 -3.09 0.54 3.00 -1.25 -4.54 117.38 111.93 1kpp n GLN 121 Ca 0.10 0.13 -0.44 0.00 -0.01 0.00 0.00 57.00 56.78 1kpp n GLN 121 Cb 0.13 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 28.81 1kpp n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1kpp s SER 122 N -2.68 6.22 0.00 1.08 0.15 -1.26 -4.80 113.70 112.41 1kpp s SER 122 Ca 0.15 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1kpp s SER 122 Cb 0.12 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1kpp s SER 122 CO 0.29 -1.03 0.36 0.47 1.20 0.00 0.00 173.24 174.53 1kpp n ASP 123 N 6.48 0.72 0.00 5.45 8.00 -1.26 -4.86 116.55 131.08 1kpp n ASP 123 Ca -0.06 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1kpp n ASP 123 Cb 0.45 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1kpp n ASP 123 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1kpp n LEU 124 N -0.07 0.00 -0.17 0.64 0.00 -1.26 -4.55 117.00 111.58 1kpp n LEU 124 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 1kpp n LEU 124 Cb 0.05 0.00 0.12 0.00 0.00 0.00 0.00 43.42 43.58 1kpp n LEU 124 CO 0.00 0.00 0.91 0.25 0.00 0.00 0.00 177.39 178.55 1kpp h LEU 125 N 0.00 0.89 -0.26 -1.96 5.85 -1.94 -2.77 115.31 115.12 1kpp h LEU 125 Ca 0.00 -0.20 -0.19 0.00 0.84 0.00 0.00 57.88 58.32 1kpp h LEU 125 Cb 0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1kpp h LEU 125 CO 0.00 0.91 -0.89 1.23 -0.34 0.00 0.00 178.44 179.36 1kpp h GLY 126 N 1.01 0.09 1.17 3.75 0.00 -1.89 -3.00 103.07 104.20 1kpp h GLY 126 Ca 0.18 -0.17 0.12 0.00 0.00 0.00 0.00 47.33 47.45 1kpp h GLY 126 CO 0.01 0.15 0.31 -2.00 0.00 0.00 0.00 176.54 175.01 1kpp h LEU 127 N 0.04 0.05 0.00 3.11 5.85 -1.88 0.08 115.31 122.56 1kpp h LEU 127 Ca -0.03 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.45 1kpp h LEU 127 Cb 1.54 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.52 1kpp h LEU 127 CO 0.12 0.03 -1.48 0.40 -0.34 0.00 0.00 178.44 177.18 1kpp h ILE 128 N 0.05 0.91 -0.44 4.05 1.08 -1.51 -3.36 117.51 118.28 1kpp h ILE 128 Ca 0.21 -2.64 -0.11 0.00 -0.39 0.00 0.00 64.86 61.92 1kpp h ILE 128 Cb 0.75 2.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.89 1kpp h ILE 128 CO -0.01 0.52 -0.16 -0.61 -0.69 0.00 0.00 178.15 177.19 1kpp h GLN 129 N 0.00 0.89 -0.59 2.37 4.15 -0.90 -2.53 115.11 118.50 1kpp h GLN 129 Ca -0.20 -0.37 0.11 0.00 0.77 0.00 0.00 58.65 58.96 1kpp h GLN 129 Cb 1.85 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 29.42 1kpp h GLN 129 CO 0.08 1.02 0.15 -0.24 -1.93 0.00 0.00 178.83 177.90 1kpp h VAL 130 N 0.73 0.68 -0.31 2.39 3.04 -1.34 0.36 116.25 121.80 1kpp h VAL 130 Ca 0.11 -0.10 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 1kpp h VAL 130 Cb 0.72 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1kpp h VAL 130 CO 0.05 0.05 -0.20 0.24 -1.01 0.00 0.00 177.57 176.70 1kpp h MET 131 N 0.29 0.57 0.00 4.17 2.86 -1.70 0.12 114.93 121.23 1kpp h MET 131 Ca 0.31 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1kpp h MET 131 Cb 0.44 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1kpp h MET 131 CO -0.37 0.74 -0.04 0.82 1.06 0.00 0.00 176.91 179.12 1kpp h ILE 132 N 0.51 0.73 0.02 -1.22 2.04 -0.52 0.50 117.51 119.57 1kpp h ILE 132 Ca 0.08 -0.15 -0.28 0.00 1.00 0.00 0.00 64.86 65.50 1kpp h ILE 132 Cb 0.63 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1kpp h ILE 132 CO 0.04 0.04 -1.55 0.52 0.00 0.00 0.00 178.15 177.20 1kpp n VAL 133 N -4.05 1.57 -0.37 1.67 0.31 -0.65 -2.24 118.33 114.57 1kpp n VAL 133 Ca -0.03 -0.17 -0.02 0.00 -0.01 0.00 0.00 64.34 64.11 1kpp n VAL 133 Cb 0.13 -1.97 0.11 0.00 -0.91 0.00 0.00 33.84 31.20 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 -0.84 1.26 0.00 2.52 2.07 -0.83 -1.47 116.25 118.97 1kpp h VAL 134 Ca -0.41 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1kpp h VAL 134 Cb 1.46 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1kpp h VAL 134 CO -0.20 0.25 -0.41 -0.26 0.02 0.00 0.00 177.57 176.97 1kpp h PHE 135 N 1.35 0.00 0.00 1.57 0.04 -0.18 -3.23 116.94 116.49 1kpp h PHE 135 Ca 0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.13 1kpp h PHE 135 Cb -0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1kpp h PHE 135 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1kpp n GLY 136 N 1.29 -1.63 0.12 -1.45 0.00 -0.59 -2.84 105.19 100.10 1kpp n GLY 136 Ca 0.04 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1kpp n GLY 136 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kpp n ASP 137 N -2.26 1.65 -3.05 1.61 5.68 -1.00 -4.76 116.55 114.41 1kpp n ASP 137 Ca 0.05 -0.04 0.01 0.00 -0.50 0.00 0.00 54.79 54.31 1kpp n ASP 137 Cb 0.39 -0.25 -0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1kpp n ASP 137 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1kpp s GLU 138 N -2.52 0.64 0.12 0.11 -1.05 -1.22 -5.09 118.70 109.68 1kpp s GLU 138 Ca -0.28 -0.24 -0.32 0.00 -0.15 0.00 0.00 54.97 53.98 1kpp s GLU 138 Cb 0.08 0.07 -0.12 0.00 -0.44 0.00 0.00 34.13 33.72 1kpp s GLU 138 CO 0.67 -0.91 1.76 -2.30 0.95 0.00 0.00 175.26 175.43 1kpp n PRO 139 N 4.10 2.53 0.05 -4.83 -0.02 -1.13 -4.71 135.00 130.99 1kpp n PRO 139 Ca 0.10 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.62 1kpp n PRO 139 Cb 0.59 -2.76 0.29 0.00 -0.02 0.00 0.00 33.50 31.60 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 4.92 0.20 0.00 0.52 -0.04 -1.26 -3.62 135.00 135.72 1kpp n PRO 140 Ca 0.18 0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.82 1kpp n PRO 140 Cb 0.33 -1.66 0.52 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.96 0.28 -0.76 0.52 0.31 -1.26 0.71 118.33 116.16 1kpp n VAL 141 Ca 0.05 0.07 -0.25 0.00 -0.01 0.00 0.00 64.34 64.20 1kpp n VAL 141 Cb 0.41 -0.76 0.09 0.00 -0.91 0.00 0.00 33.84 32.66 1kpp n VAL 141 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1kpp n PHE 142 N -1.19 -1.58 -2.08 3.52 -1.74 -1.24 -1.67 117.46 111.49 1kpp n PHE 142 Ca 0.11 0.38 0.01 0.00 -0.56 0.00 0.00 57.45 57.39 1kpp n PHE 142 Cb 0.12 -1.42 0.00 0.00 1.52 0.00 0.00 39.48 39.70 1kpp n PHE 142 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1kpp n SER 143 N 1.04 0.16 -3.40 5.98 3.41 -1.26 -2.03 113.62 117.52 1kpp n SER 143 Ca 0.01 -1.97 -0.26 0.00 -0.26 0.00 0.00 58.87 56.38 1kpp n SER 143 Cb 0.49 -0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.25 1kpp n SER 143 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1kpp n ARG 144 N 0.08 -1.88 0.00 4.33 3.00 -1.26 -5.00 116.66 115.94 1kpp n ARG 144 Ca 0.01 1.42 0.00 0.00 -0.00 0.00 0.00 57.85 59.28 1kpp n ARG 144 Cb 0.77 -3.16 0.00 0.00 0.00 0.00 0.00 32.46 30.07 1kpp n ARG 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33