#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 2.38 -4.90 0.00 0.31 -1.26 -5.05 118.33 109.81 1kpp n VAL 3 Ca 0.00 -3.88 0.00 0.00 -0.01 0.00 0.00 64.34 60.45 1kpp n VAL 3 Cb 0.00 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1kpp n VAL 3 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1kpp n SER 4 N -0.81 -3.70 -0.07 4.52 2.88 -1.26 -2.85 113.62 112.33 1kpp n SER 4 Ca 0.36 0.00 0.25 0.00 -1.33 0.00 0.00 58.87 58.15 1kpp n SER 4 Cb 0.89 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 65.06 1kpp n SER 4 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1kpp h GLU 5 N 0.00 0.00 -0.78 -1.46 4.22 -2.00 0.20 114.58 114.76 1kpp h GLU 5 Ca 0.00 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.51 1kpp h GLU 5 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1kpp h GLU 5 CO 0.00 0.00 0.51 0.77 -2.18 0.00 0.00 179.01 178.11 1kpp h SER 6 N 0.00 0.71 1.45 1.04 0.02 -1.98 -0.73 113.55 114.06 1kpp h SER 6 Ca 0.34 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.19 1kpp h SER 6 Cb 1.60 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.98 1kpp h SER 6 CO -0.00 0.45 -0.56 -0.61 -1.14 0.00 0.00 176.83 174.97 1kpp h GLN 7 N 0.81 0.00 -0.06 3.45 4.15 -0.54 -3.18 115.11 119.73 1kpp h GLN 7 Ca 0.34 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.79 1kpp h GLN 7 Cb 0.30 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1kpp h GLN 7 CO -0.12 0.48 -0.08 1.25 -1.93 0.00 0.00 178.83 178.43 1kpp h LEU 8 N 0.00 -0.24 -0.81 -2.39 5.85 -1.02 -0.80 115.31 115.90 1kpp h LEU 8 Ca -0.01 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1kpp h LEU 8 Cb 1.39 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1kpp h LEU 8 CO 0.06 -0.11 -0.54 0.50 -0.34 0.00 0.00 178.44 178.01 1kpp h LYS 9 N -0.11 0.15 0.00 1.25 3.64 -1.63 -2.86 116.57 117.01 1kpp h LYS 9 Ca 0.05 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1kpp h LYS 9 Cb 0.18 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1kpp h LYS 9 CO -0.13 0.65 -0.21 -0.22 -2.27 0.00 0.00 179.45 177.27 1kpp h LYS 10 N 0.12 0.00 0.03 1.90 3.11 -1.40 0.31 116.57 120.64 1kpp h LYS 10 Ca -0.00 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.61 1kpp h LYS 10 Cb 0.99 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.20 1kpp h LYS 10 CO 0.08 0.21 -1.11 0.00 -2.81 0.00 0.00 179.45 175.82 1kpp h MET 11 N 0.00 0.06 -0.50 1.90 -0.00 -0.95 -3.27 114.93 112.18 1kpp h MET 11 Ca -0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 59.70 59.58 1kpp h MET 11 Cb 0.43 0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 32.06 1kpp h MET 11 CO 0.03 1.02 0.01 1.33 -0.00 0.00 0.00 176.91 179.30 1kpp n VAL 12 N -3.37 2.66 0.08 -0.10 0.24 -0.93 -4.40 118.33 112.49 1kpp n VAL 12 Ca -0.03 -1.56 -0.05 0.00 -2.04 0.00 0.00 64.34 60.65 1kpp n VAL 12 Cb 0.97 -0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 33.00 1kpp n VAL 12 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1kpp h SER 13 N 3.34 0.00 0.09 -1.34 0.02 -1.00 -3.29 113.55 111.37 1kpp h SER 13 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1kpp h SER 13 Cb 1.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.40 1kpp h SER 13 CO 0.43 0.91 -1.80 0.29 -1.14 0.00 0.00 176.83 175.52 1kpp n LYS 14 N -3.41 0.58 -1.65 3.45 5.02 -1.26 -4.98 118.16 115.91 1kpp n LYS 14 Ca -0.00 -0.15 -0.39 0.00 -2.02 0.00 0.00 58.31 55.74 1kpp n LYS 14 Cb 0.88 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 34.37 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 -2.21 1.42 0.21 2.13 4.02 -1.24 -4.84 117.16 116.64 1kpp n TYR 15 Ca -0.03 0.48 0.18 0.00 -0.01 0.00 0.00 57.90 58.52 1kpp n TYR 15 Cb 0.54 -2.25 0.84 0.00 -0.02 0.00 0.00 39.34 38.46 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 1.24 0.00 -3.46 -0.72 3.64 -1.54 -3.39 116.57 112.33 1kpp h LYS 16 Ca -0.48 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.60 1kpp h LYS 16 Cb 1.33 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.81 1kpp h LYS 16 CO 0.55 0.00 -0.72 0.71 -2.27 0.00 0.00 179.45 177.72 1kpp s TYR 17 N -4.55 0.02 -0.09 1.91 2.02 -1.26 -5.06 117.35 110.33 1kpp s TYR 17 Ca -0.04 0.18 -0.10 0.00 -0.37 0.00 0.00 57.07 56.74 1kpp s TYR 17 Cb 0.14 -0.26 -0.03 0.00 -0.40 0.00 0.00 41.96 41.41 1kpp s TYR 17 CO 0.51 -0.11 -0.19 -2.13 -1.57 0.00 0.00 175.55 172.06 1kpp n ARG 18 N 4.36 0.29 -0.09 -0.62 0.63 -1.26 -3.76 116.66 116.21 1kpp n ARG 18 Ca -0.24 0.11 -0.06 0.00 -0.92 0.00 0.00 57.85 56.74 1kpp n ARG 18 Cb 0.50 -0.99 -0.00 0.00 0.45 0.00 0.00 32.46 32.42 1kpp n ARG 18 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 1kpp h ASP 19 N -0.54 -0.41 0.07 6.15 2.03 -1.96 0.93 116.42 122.69 1kpp h ASP 19 Ca 0.00 0.11 -0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1kpp h ASP 19 Cb 0.54 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 1kpp h ASP 19 CO 0.00 -0.15 -0.03 0.25 -1.03 0.00 0.00 179.24 178.28 1kpp h LEU 20 N -0.05 -0.08 -1.37 0.15 7.12 -1.97 0.62 115.31 119.73 1kpp h LEU 20 Ca 0.16 -0.16 -0.03 0.00 0.13 0.00 0.00 57.88 57.99 1kpp h LEU 20 Cb 0.30 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.43 1kpp h LEU 20 CO -0.36 0.11 0.13 0.74 -0.13 0.00 0.00 178.44 178.93 1kpp h THR 21 N -0.26 1.16 0.00 1.05 2.02 -1.55 0.36 112.91 115.70 1kpp h THR 21 Ca -0.01 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 1kpp h THR 21 Cb 0.23 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1kpp h THR 21 CO 0.02 0.20 -0.68 0.58 0.37 0.00 0.00 175.52 176.01 1kpp h VAL 22 N 0.55 0.49 0.01 3.16 2.07 0.11 -3.14 116.25 119.49 1kpp h VAL 22 Ca 0.13 -1.75 -0.27 0.00 0.82 0.00 0.00 66.70 65.64 1kpp h VAL 22 Cb 0.16 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 1kpp h VAL 22 CO -0.01 0.28 -1.47 -0.09 0.02 0.00 0.00 177.57 176.29 1kpp h ARG 23 N 0.00 0.01 -0.03 1.57 9.65 0.88 -3.24 114.38 123.22 1kpp h ARG 23 Ca -0.04 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.67 1kpp h ARG 23 Cb 1.30 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.87 1kpp h ARG 23 CO 0.04 0.69 -0.66 0.93 2.80 0.00 0.00 179.97 183.77 1kpp h GLU 24 N 0.00 0.12 -0.10 0.20 3.07 -0.39 -2.25 114.58 115.23 1kpp h GLU 24 Ca -0.20 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 58.53 1kpp h GLU 24 Cb 1.93 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.86 1kpp h GLU 24 CO 0.10 0.73 -0.10 0.00 -1.40 0.00 0.00 179.01 178.34 1kpp h THR 25 N 0.08 1.36 0.55 1.13 1.03 -1.66 -2.84 112.91 112.57 1kpp h THR 25 Ca -0.01 -1.24 -0.03 0.00 -0.01 0.00 0.00 66.41 65.12 1kpp h THR 25 Cb 1.17 1.95 0.01 0.00 -1.07 0.00 0.00 68.15 70.21 1kpp h THR 25 CO 0.09 0.35 -0.27 0.58 -0.01 0.00 0.00 175.52 176.27 1kpp h VAL 26 N -0.16 0.44 -0.99 0.00 2.07 -1.58 -0.26 116.25 115.77 1kpp h VAL 26 Ca 0.02 -0.09 0.29 0.00 0.82 0.00 0.00 66.70 67.74 1kpp h VAL 26 Cb 0.61 0.48 -0.14 0.00 -1.52 0.00 0.00 31.29 30.72 1kpp h VAL 26 CO 0.02 0.01 0.56 0.78 0.02 0.00 0.00 177.57 178.97 1kpp h ASN 27 N -0.80 0.55 0.11 0.57 2.35 -1.48 0.81 115.58 117.69 1kpp h ASN 27 Ca -0.08 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1kpp h ASN 27 Cb 0.59 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1kpp h ASN 27 CO 0.12 -0.04 -0.06 0.58 -1.65 0.00 0.00 177.43 176.39 1kpp h VAL 28 N 0.42 0.00 -0.89 2.81 2.07 -1.26 -2.65 116.25 116.74 1kpp h VAL 28 Ca 0.69 -0.52 0.21 0.00 0.82 0.00 0.00 66.70 67.89 1kpp h VAL 28 Cb 1.47 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1kpp h VAL 28 CO -0.56 0.00 0.60 0.16 0.02 0.00 0.00 177.57 177.79 1kpp h ILE 29 N -0.68 0.66 0.00 4.57 3.07 -0.73 0.39 117.51 124.79 1kpp h ILE 29 Ca -0.02 -0.12 -0.13 0.00 1.55 0.00 0.00 64.86 66.15 1kpp h ILE 29 Cb 0.12 0.28 -0.02 0.00 -0.27 0.00 0.00 36.82 36.93 1kpp h ILE 29 CO 0.03 0.06 -0.60 0.74 -1.05 0.00 0.00 178.15 177.33 1kpp h THR 30 N 0.35 1.34 0.00 0.16 2.02 0.53 -1.41 112.91 115.90 1kpp h THR 30 Ca 0.46 -2.11 -0.21 0.00 0.77 0.00 0.00 66.41 65.32 1kpp h THR 30 Cb 1.23 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 1kpp h THR 30 CO -0.16 0.59 -0.90 0.25 0.37 0.00 0.00 175.52 175.67 1kpp h LEU 31 N 0.00 0.33 -1.29 2.58 7.12 0.10 -3.17 115.31 120.98 1kpp h LEU 31 Ca -0.01 -0.27 0.00 0.00 0.13 0.00 0.00 57.88 57.74 1kpp h LEU 31 Cb 1.12 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 1kpp h LEU 31 CO 0.08 1.07 -0.02 -1.22 -0.13 0.00 0.00 178.44 178.22 1kpp n TYR 32 N -3.68 0.00 -2.98 1.25 4.01 -0.53 -4.94 117.16 110.29 1kpp n TYR 32 Ca -0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.50 1kpp n TYR 32 Cb 0.82 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.81 1kpp n TYR 32 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1kpp n LYS 33 N 0.56 -1.23 -2.56 -0.72 4.01 -0.54 -4.58 118.16 113.10 1kpp n LYS 33 Ca 0.17 0.06 -0.04 0.00 -0.51 0.00 0.00 58.31 57.99 1kpp n LYS 33 Cb 0.44 -2.99 0.05 0.00 -0.51 0.00 0.00 35.03 32.02 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 -1.20 -1.34 -4.45 4.39 8.00 -1.24 -5.08 116.55 115.63 1kpp n ASP 34 Ca 0.06 -1.93 -0.29 0.00 0.71 0.00 0.00 54.79 53.33 1kpp n ASP 34 Cb 0.30 0.87 -0.12 0.00 -0.02 0.00 0.00 41.12 42.16 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 -2.55 2.56 -0.36 0.64 2.01 -1.26 -3.55 118.68 116.17 1kpp s LEU 35 Ca 0.10 -0.67 0.01 0.00 0.01 0.00 0.00 54.13 53.58 1kpp s LEU 35 Cb 0.22 -1.39 0.11 0.00 0.01 0.00 0.00 46.19 45.14 1kpp s LEU 35 CO -0.05 0.16 0.15 -0.54 1.01 0.00 0.00 176.35 177.08 1kpp s LYS 36 N -2.27 0.99 0.10 1.70 -0.14 0.28 -4.98 119.74 115.41 1kpp s LYS 36 Ca 0.18 -1.49 -0.31 0.00 -1.36 0.00 0.00 55.97 52.99 1kpp s LYS 36 Cb -0.10 -2.21 -0.08 0.00 -1.68 0.00 0.00 37.83 33.77 1kpp s LYS 36 CO 0.09 -1.05 1.41 -1.25 -0.76 0.00 0.00 175.35 173.79 1kpp s PRO 37 N 1.08 4.31 0.25 -1.68 0.04 -1.26 -1.65 135.00 136.09 1kpp s PRO 37 Ca 0.13 2.07 0.08 0.00 0.04 0.00 0.00 61.00 63.32 1kpp s PRO 37 Cb -0.20 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1kpp s PRO 37 CO -0.14 -0.47 -0.12 0.08 0.04 0.00 0.00 177.00 176.39 1kpp s VAL 38 N 1.37 1.80 -0.33 -0.36 1.01 0.24 -4.95 120.40 119.18 1kpp s VAL 38 Ca 0.65 -2.20 0.01 0.00 0.00 0.00 0.00 61.98 60.44 1kpp s VAL 38 Cb -0.36 -2.25 0.10 0.00 0.00 0.00 0.00 36.38 33.87 1kpp s VAL 38 CO 0.30 -0.45 0.10 -0.22 0.00 0.00 0.00 175.10 174.83 1kpp s LEU 39 N -3.40 2.99 -0.11 3.92 1.98 -1.26 0.05 118.68 122.85 1kpp s LEU 39 Ca 0.26 -1.89 0.03 0.00 -2.89 0.00 0.00 54.13 49.64 1kpp s LEU 39 Cb 0.01 -1.10 0.01 0.00 0.66 0.00 0.00 46.19 45.77 1kpp s LEU 39 CO 0.10 -0.39 -0.19 -1.81 -1.89 0.00 0.00 176.35 172.17 1kpp s ASP 40 N 1.28 2.74 -0.08 3.68 1.01 -0.54 -4.95 116.67 119.81 1kpp s ASP 40 Ca 0.11 -0.50 -0.25 0.00 0.71 0.00 0.00 52.55 52.61 1kpp s ASP 40 Cb -0.18 -1.25 -0.03 0.00 1.01 0.00 0.00 42.92 42.46 1kpp s ASP 40 CO -0.18 0.07 0.79 -0.94 0.21 0.00 0.00 175.17 175.13 1kpp s SER 41 N 0.73 7.06 -0.51 0.27 1.04 -1.26 -3.04 113.70 118.00 1kpp s SER 41 Ca -0.11 1.29 -0.17 0.00 0.48 0.00 0.00 55.95 57.44 1kpp s SER 41 Cb -0.16 -2.46 0.08 0.00 0.10 0.00 0.00 66.02 63.58 1kpp s SER 41 CO 0.02 -0.22 0.53 -0.47 0.98 0.00 0.00 173.24 174.08 1kpp s TYR 42 N 1.17 3.14 0.33 5.02 5.04 -0.61 -4.77 117.35 126.67 1kpp s TYR 42 Ca 0.41 -0.82 -0.29 0.00 -2.44 0.00 0.00 57.07 53.93 1kpp s TYR 42 Cb -0.18 -3.47 -0.11 0.00 0.35 0.00 0.00 41.96 38.55 1kpp s TYR 42 CO 0.19 -0.97 1.57 0.14 -1.34 0.00 0.00 175.55 175.14 1kpp s VAL 43 N 2.14 2.01 0.55 3.14 -7.23 -1.26 -3.40 120.40 116.34 1kpp s VAL 43 Ca 0.09 0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.20 1kpp s VAL 43 Cb -0.23 -3.00 0.12 0.00 0.56 0.00 0.00 36.38 33.83 1kpp s VAL 43 CO 0.08 0.00 0.75 0.49 -0.31 0.00 0.00 175.10 176.11 1kpp n PHE 44 N 1.49 -3.70 0.60 2.82 3.01 -0.66 -4.95 117.46 116.08 1kpp n PHE 44 Ca 0.05 -0.84 0.11 0.00 1.01 0.00 0.00 57.45 57.78 1kpp n PHE 44 Cb 0.38 -0.57 0.44 0.00 -0.01 0.00 0.00 39.48 39.72 1kpp n PHE 44 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1kpp n ASN 45 N -3.33 0.28 0.02 4.37 6.94 -1.26 -2.76 115.26 119.52 1kpp n ASN 45 Ca 0.10 0.55 -0.09 0.00 -0.02 0.00 0.00 54.58 55.12 1kpp n ASN 45 Cb 0.36 -0.62 -0.13 0.00 -2.36 0.00 0.00 39.78 37.02 1kpp n ASN 45 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1kpp h ASP 46 N 0.00 0.06 0.00 0.53 3.32 -2.02 -3.48 116.42 114.83 1kpp h ASP 46 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1kpp h ASP 46 Cb 0.40 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1kpp h ASP 46 CO 0.00 1.07 0.00 0.61 -1.72 0.00 0.00 179.24 179.20 1kpp n GLY 47 N 1.51 0.96 3.49 2.75 0.00 -1.11 -5.12 105.19 107.67 1kpp n GLY 47 Ca -0.11 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1kpp n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kpp n SER 48 N 0.00 -1.32 -4.06 1.61 3.41 -1.26 -4.65 113.62 107.34 1kpp n SER 48 Ca 0.00 0.03 -0.31 0.00 -0.26 0.00 0.00 58.87 58.33 1kpp n SER 48 Cb 0.00 -1.27 -0.16 0.00 -0.26 0.00 0.00 64.21 62.52 1kpp n SER 48 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1kpp s SER 49 N -2.35 2.86 -0.29 4.04 0.01 -1.26 -1.65 113.70 115.06 1kpp s SER 49 Ca 0.66 -0.55 -0.14 0.00 1.31 0.00 0.00 55.95 57.22 1kpp s SER 49 Cb -0.23 -1.30 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 1kpp s SER 49 CO 0.64 -0.03 0.35 -0.60 0.41 0.00 0.00 173.24 174.00 1kpp s ARG 50 N 1.40 3.87 -0.38 12.44 6.06 -1.22 -4.92 118.95 136.20 1kpp s ARG 50 Ca 0.05 -0.15 -0.28 0.00 -2.50 0.00 0.00 55.73 52.86 1kpp s ARG 50 Cb -0.13 -3.70 -0.04 0.00 0.06 0.00 0.00 34.95 31.14 1kpp s ARG 50 CO -0.12 -0.34 2.04 -2.00 -2.50 0.00 0.00 175.30 172.38 1kpp s GLU 51 N 2.02 2.93 -0.09 5.12 2.12 -1.26 -1.57 118.70 127.96 1kpp s GLU 51 Ca 0.13 1.45 0.04 0.00 0.36 0.00 0.00 54.97 56.95 1kpp s GLU 51 Cb -0.16 -4.35 -0.01 0.00 0.26 0.00 0.00 34.13 29.87 1kpp s GLU 51 CO 0.11 -2.34 -0.22 -0.51 -0.54 0.00 0.00 175.26 171.76 1kpp s LEU 52 N 8.65 2.22 0.14 2.70 2.01 -1.17 -4.95 118.68 128.29 1kpp s LEU 52 Ca 0.87 -0.49 -0.09 0.00 0.01 0.00 0.00 54.13 54.42 1kpp s LEU 52 Cb -0.23 -1.44 -0.06 0.00 0.01 0.00 0.00 46.19 44.47 1kpp s LEU 52 CO 0.30 0.19 0.46 -0.32 1.01 0.00 0.00 176.35 178.00 1kpp s MET 53 N 0.15 3.78 0.06 1.70 -2.45 -1.26 -1.47 119.30 119.80 1kpp s MET 53 Ca -0.12 0.20 -0.03 0.00 -1.25 0.00 0.00 55.69 54.49 1kpp s MET 53 Cb -0.16 -2.86 -0.03 0.00 1.25 0.00 0.00 34.83 33.03 1kpp s MET 53 CO 0.07 0.46 0.02 0.54 1.05 0.00 0.00 175.02 177.16 1kpp s ASN 54 N -2.05 0.39 -0.29 1.11 4.22 0.11 -2.42 114.94 116.01 1kpp s ASN 54 Ca 0.39 -0.89 0.01 0.00 -2.14 0.00 0.00 52.86 50.23 1kpp s ASN 54 Cb -0.13 0.23 0.08 0.00 1.28 0.00 0.00 41.25 42.71 1kpp s ASN 54 CO 0.20 -0.62 0.03 -0.76 -2.04 0.00 0.00 177.10 173.91 1kpp s LEU 55 N -2.85 2.98 -0.10 3.54 1.43 -0.83 0.79 118.68 123.64 1kpp s LEU 55 Ca 0.06 -1.58 -0.06 0.00 -1.03 0.00 0.00 54.13 51.52 1kpp s LEU 55 Cb 0.07 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1kpp s LEU 55 CO -0.10 -0.34 0.12 -0.89 0.23 0.00 0.00 176.35 175.37 1kpp s THR 56 N 1.36 5.27 0.00 5.49 2.01 -0.66 -1.81 115.64 127.31 1kpp s THR 56 Ca 0.04 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1kpp s THR 56 Cb -0.18 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1kpp s THR 56 CO -0.13 0.59 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 1kpp n GLY 57 N 1.90 0.64 3.45 4.40 0.00 -1.18 0.10 105.19 114.50 1kpp n GLY 57 Ca -0.19 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.00 2.76 -0.07 2.61 -4.23 -1.23 -1.99 115.64 111.48 1kpp s THR 58 Ca 0.00 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1kpp s THR 58 Cb 0.00 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 1kpp s THR 58 CO 0.00 0.37 -0.05 0.27 -0.54 0.00 0.00 174.62 174.67 1kpp s ILE 59 N -0.89 3.88 -1.21 2.99 -4.36 -1.09 -4.83 121.20 115.68 1kpp s ILE 59 Ca 0.14 -0.41 -0.08 0.00 -0.26 0.00 0.00 60.65 60.04 1kpp s ILE 59 Cb -0.10 -2.60 -0.07 0.00 1.25 0.00 0.00 42.46 40.94 1kpp s ILE 59 CO 0.04 0.60 2.45 -0.81 0.24 0.00 0.00 174.94 177.46 1kpp n PRO 60 N 2.21 2.73 -3.28 0.37 -0.04 -1.25 -1.71 135.00 134.03 1kpp n PRO 60 Ca -0.18 -1.79 -0.38 0.00 -0.04 0.00 0.00 63.50 61.11 1kpp n PRO 60 Cb 0.53 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.31 1kpp n PRO 60 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kpp s VAL 61 N 2.96 5.05 0.36 0.52 1.01 -0.50 -4.62 120.40 125.17 1kpp s VAL 61 Ca 0.52 1.08 -0.26 0.00 0.00 0.00 0.00 61.98 63.32 1kpp s VAL 61 Cb 0.13 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1kpp s VAL 61 CO -0.04 0.39 1.09 -2.16 0.00 0.00 0.00 175.10 174.38 1kpp s PRO 62 N 0.07 4.30 0.00 2.72 0.04 -1.26 -1.04 135.00 139.83 1kpp s PRO 62 Ca 0.28 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1kpp s PRO 62 Cb -0.17 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1kpp s PRO 62 CO 0.14 -0.06 0.00 0.98 0.04 0.00 0.00 177.00 178.10 1kpp n TYR 63 N 0.38 0.00 -0.01 0.56 9.36 -1.06 -4.62 117.16 121.78 1kpp n TYR 63 Ca 0.03 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.21 1kpp n TYR 63 Cb 0.47 -0.12 -0.01 0.00 -0.63 0.00 0.00 39.34 39.05 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 -1.10 0.20 -0.21 2.98 5.12 -1.26 -4.63 116.66 117.77 1kpp n ARG 64 Ca 0.00 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1kpp n ARG 64 Cb 0.00 -0.82 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 1kpp n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1kpp n GLY 65 N 2.57 -1.53 1.78 -0.13 0.00 -1.26 -5.11 105.19 101.52 1kpp n GLY 65 Ca -0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1kpp n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kpp n ASN 66 N -0.00 0.20 -4.81 1.61 6.94 -1.26 -5.15 115.26 112.79 1kpp n ASN 66 Ca 0.00 -2.19 -0.37 0.00 -0.02 0.00 0.00 54.58 52.00 1kpp n ASN 66 Cb 0.58 0.77 -0.06 0.00 -2.36 0.00 0.00 39.78 38.72 1kpp n ASN 66 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1kpp s THR 67 N -2.60 4.61 0.26 5.53 2.01 -1.26 -2.56 115.64 121.64 1kpp s THR 67 Ca 0.18 1.26 0.03 0.00 0.31 0.00 0.00 61.69 63.46 1kpp s THR 67 Cb 0.01 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1kpp s THR 67 CO 0.12 0.32 0.20 -0.47 -0.69 0.00 0.00 174.62 174.10 1kpp s TYR 68 N -1.39 1.45 -0.29 4.92 5.04 -0.20 -4.72 117.35 122.16 1kpp s TYR 68 Ca 0.39 -1.51 0.00 0.00 -2.44 0.00 0.00 57.07 53.51 1kpp s TYR 68 Cb -0.18 -0.65 0.09 0.00 0.35 0.00 0.00 41.96 41.57 1kpp s TYR 68 CO 0.21 -0.73 0.05 0.54 -1.34 0.00 0.00 175.55 174.28 1kpp s ASN 69 N -3.27 4.03 -0.54 4.32 2.20 -1.25 -1.42 114.94 119.01 1kpp s ASN 69 Ca 0.40 -1.56 -0.18 0.00 -0.94 0.00 0.00 52.86 50.57 1kpp s ASN 69 Cb 0.05 -1.05 0.09 0.00 -2.00 0.00 0.00 41.25 38.34 1kpp s ASN 69 CO 0.19 -0.36 0.62 -0.63 -2.94 0.00 0.00 177.10 173.98 1kpp s ILE 70 N 1.46 4.93 0.65 0.54 -1.09 -0.69 -4.82 121.20 122.18 1kpp s ILE 70 Ca 0.06 -0.87 -0.15 0.00 -2.23 0.00 0.00 60.65 57.46 1kpp s ILE 70 Cb -0.18 -4.36 -0.00 0.00 -1.58 0.00 0.00 42.46 36.34 1kpp s ILE 70 CO -0.16 -0.92 1.12 -2.16 -1.23 0.00 0.00 174.94 171.59 1kpp s PRO 71 N 2.43 2.79 0.08 2.79 0.04 -1.26 -2.69 135.00 139.19 1kpp s PRO 71 Ca 0.11 1.45 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 1kpp s PRO 71 Cb -0.23 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1kpp s PRO 71 CO 0.08 -1.27 0.49 0.96 0.04 0.00 0.00 177.00 177.30 1kpp s ILE 72 N -2.24 0.04 -0.09 0.56 -4.36 -0.84 -4.10 121.20 110.16 1kpp s ILE 72 Ca 0.68 -0.32 0.04 0.00 -0.26 0.00 0.00 60.65 60.79 1kpp s ILE 72 Cb -0.22 -1.03 0.00 0.00 1.25 0.00 0.00 42.46 42.47 1kpp s ILE 72 CO 0.40 -0.18 -0.21 0.00 0.24 0.00 0.00 174.94 175.19 1kpp s LEU 74 N 0.39 3.62 0.05 0.00 0.20 -0.75 0.78 118.68 122.97 1kpp s LEU 74 Ca -0.18 0.13 0.07 0.00 0.69 0.00 0.00 54.13 54.84 1kpp s LEU 74 Cb -0.17 -1.84 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 1kpp s LEU 74 CO 0.08 0.34 -0.19 0.26 -0.29 0.00 0.00 176.35 176.54 1kpp s TRP 75 N -0.63 1.69 0.29 5.38 0.23 0.92 -1.97 118.94 124.85 1kpp s TRP 75 Ca 0.10 -0.38 0.07 0.00 -2.03 0.00 0.00 56.10 53.86 1kpp s TRP 75 Cb -0.12 -0.99 -0.06 0.00 0.03 0.00 0.00 33.47 32.33 1kpp s TRP 75 CO 0.02 0.10 -0.05 -0.51 0.96 0.00 0.00 176.95 177.47 1kpp s LEU 76 N -1.30 2.48 0.29 2.99 2.01 -1.02 -1.12 118.68 123.02 1kpp s LEU 76 Ca 0.06 -1.21 0.06 0.00 0.01 0.00 0.00 54.13 53.06 1kpp s LEU 76 Cb -0.09 -0.64 -0.06 0.00 0.01 0.00 0.00 46.19 45.41 1kpp s LEU 76 CO 0.02 -0.36 -0.04 -1.48 1.01 0.00 0.00 176.35 175.50 1kpp s LEU 77 N -3.46 2.47 -0.07 1.79 -0.00 -1.26 -4.64 118.68 113.51 1kpp s LEU 77 Ca 0.30 -1.22 0.17 0.00 -0.00 0.00 0.00 54.13 53.38 1kpp s LEU 77 Cb 0.04 -0.63 -0.22 0.00 -0.00 0.00 0.00 46.19 45.38 1kpp s LEU 77 CO 0.12 -0.37 0.47 -0.67 -0.00 0.00 0.00 176.35 175.90 1kpp n ASP 78 N -0.61 0.45 0.00 1.48 -0.08 -1.26 -4.66 116.55 111.87 1kpp n ASP 78 Ca -0.05 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 1kpp n ASP 78 Cb 0.64 0.61 0.00 0.00 2.34 0.00 0.00 41.12 44.71 1kpp n ASP 78 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1kpp n THR 79 N -2.81 0.00 -3.86 5.18 -2.24 -1.26 -1.52 114.28 107.78 1kpp n THR 79 Ca -0.20 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 1kpp n THR 79 Cb 0.98 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.08 3.23 -0.05 4.78 2.02 -1.26 -4.24 117.35 120.75 1kpp s TYR 80 Ca 0.00 -0.12 -0.17 0.00 -0.37 0.00 0.00 57.07 56.40 1kpp s TYR 80 Cb 0.00 -1.67 -0.12 0.00 -0.40 0.00 0.00 41.96 39.77 1kpp s TYR 80 CO 0.00 0.31 0.72 -1.00 -1.57 0.00 0.00 175.55 174.01 1kpp h PRO 81 N 1.18 -0.30 0.00 -1.71 0.13 -2.00 -3.44 132.00 125.86 1kpp h PRO 81 Ca -0.49 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1kpp h PRO 81 Cb 1.24 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1kpp h PRO 81 CO 0.59 0.01 -1.00 0.66 -0.23 0.00 0.00 178.00 178.02 1kpp n TYR 82 N -4.98 0.00 0.00 1.56 4.02 -1.26 -5.08 117.16 111.41 1kpp n TYR 82 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1kpp n TYR 82 Cb 0.23 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 1kpp n TYR 82 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1kpp n ASN 83 N -4.14 0.00 -4.70 7.72 5.03 -1.26 -4.98 115.26 112.93 1kpp n ASN 83 Ca -0.16 0.00 -0.64 0.00 0.87 0.00 0.00 54.58 54.65 1kpp n ASN 83 Cb 0.46 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.13 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1kpp n PRO 84 N 0.00 0.41 -0.59 3.52 -0.02 -1.26 -4.69 135.00 132.37 1kpp n PRO 84 Ca 0.00 0.15 -0.30 0.00 -2.02 0.00 0.00 63.50 61.33 1kpp n PRO 84 Cb 0.00 -1.72 0.21 0.00 -0.02 0.00 0.00 33.50 31.96 1kpp n PRO 84 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1kpp n PRO 85 N 4.79 -1.40 -4.07 0.52 -0.02 -1.26 -4.94 135.00 128.61 1kpp n PRO 85 Ca 0.31 -0.36 -0.22 0.00 -2.02 0.00 0.00 63.50 61.21 1kpp n PRO 85 Cb 0.01 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.24 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 -2.50 4.70 0.08 4.25 -1.09 -0.27 -4.96 121.20 121.41 1kpp s ILE 86 Ca 0.66 -1.25 0.02 0.00 -2.23 0.00 0.00 60.65 57.85 1kpp s ILE 86 Cb -0.23 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1kpp s ILE 86 CO 0.62 -0.32 -0.07 0.00 -1.23 0.00 0.00 174.94 173.95 1kpp s PHE 88 N -3.00 0.73 -0.62 0.00 0.40 0.23 -3.16 117.98 112.56 1kpp s PHE 88 Ca 0.05 -1.02 0.05 0.00 -0.60 0.00 0.00 56.93 55.41 1kpp s PHE 88 Cb 0.01 -0.14 0.19 0.00 0.51 0.00 0.00 43.02 43.59 1kpp s PHE 88 CO -0.04 -0.85 0.52 1.33 0.70 0.00 0.00 175.22 176.89 1kpp n VAL 89 N -0.34 1.15 -1.46 -0.44 0.24 -0.06 -0.47 118.33 116.95 1kpp n VAL 89 Ca 0.00 -4.64 -0.46 0.00 -2.04 0.00 0.00 64.34 57.21 1kpp n VAL 89 Cb 0.64 -2.06 -0.09 0.00 -1.47 0.00 0.00 33.84 30.86 1kpp n VAL 89 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1kpp n LYS 90 N 1.85 0.68 -0.30 7.34 4.81 -1.26 -4.83 118.16 126.46 1kpp n LYS 90 Ca 0.24 0.12 -0.18 0.00 -0.87 0.00 0.00 58.31 57.62 1kpp n LYS 90 Cb 0.40 -2.33 0.18 0.00 0.02 0.00 0.00 35.03 33.29 1kpp n LYS 90 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1kpp n PRO 91 N 8.39 -2.66 -4.04 1.64 -0.02 -1.26 -4.61 135.00 132.45 1kpp n PRO 91 Ca 0.48 -0.87 -0.14 0.00 -2.02 0.00 0.00 63.50 60.95 1kpp n PRO 91 Cb 0.22 -1.36 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 1kpp n PRO 91 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1kpp s THR 92 N -1.82 0.00 -2.12 3.45 -4.23 -1.26 -5.01 115.64 104.64 1kpp s THR 92 Ca 0.40 -1.49 0.15 0.00 -1.18 0.00 0.00 61.69 59.58 1kpp s THR 92 Cb -0.07 -2.73 0.38 0.00 1.34 0.00 0.00 72.50 71.42 1kpp s THR 92 CO 0.34 0.00 1.41 -1.54 -0.54 0.00 0.00 174.62 174.29 1kpp n SER 93 N -1.52 1.50 -0.09 3.99 3.41 -1.26 -4.19 113.62 115.46 1kpp n SER 93 Ca -0.01 -1.82 -0.09 0.00 -0.26 0.00 0.00 58.87 56.69 1kpp n SER 93 Cb 0.61 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1kpp n SER 93 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kpp n SER 94 N 0.25 1.88 -4.45 4.04 7.64 -1.26 -5.05 113.62 116.68 1kpp n SER 94 Ca 0.13 0.47 -0.26 0.00 1.01 0.00 0.00 58.87 60.22 1kpp n SER 94 Cb 0.27 -0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 62.63 1kpp n SER 94 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1kpp n MET 95 N -4.51 0.84 -0.51 1.43 -0.00 -1.26 -5.16 117.12 107.94 1kpp n MET 95 Ca -0.14 -3.17 0.00 0.00 -0.00 0.00 0.00 57.70 54.38 1kpp n MET 95 Cb 0.44 0.61 0.00 0.00 -0.00 0.00 0.00 33.22 34.27 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 -1.38 0.00 -4.92 3.17 5.66 -1.26 -4.33 114.28 111.21 1kpp n THR 96 Ca -0.10 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.57 1kpp n THR 96 Cb 0.56 -0.51 -0.17 0.00 -1.55 0.00 0.00 70.33 68.67 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 0.99 2.08 0.08 1.09 2.07 -1.26 -2.98 121.20 123.28 1kpp s ILE 97 Ca 0.00 -0.99 -0.06 0.00 -1.41 0.00 0.00 60.65 58.19 1kpp s ILE 97 Cb 0.00 -1.81 -0.05 0.00 0.13 0.00 0.00 42.46 40.73 1kpp s ILE 97 CO 0.00 0.55 0.33 -0.75 -1.91 0.00 0.00 174.94 173.17 1kpp s LYS 98 N 0.59 3.62 0.05 3.50 2.47 -1.08 -4.67 119.74 124.22 1kpp s LYS 98 Ca -0.12 -0.07 -0.23 0.00 -1.56 0.00 0.00 55.97 53.99 1kpp s LYS 98 Cb -0.17 -2.96 -0.06 0.00 -1.46 0.00 0.00 37.83 33.18 1kpp s LYS 98 CO 0.03 0.55 0.69 0.95 0.16 0.00 0.00 175.35 177.73 1kpp s THR 99 N -1.49 4.73 -0.40 3.43 -4.23 -1.23 -4.50 115.64 111.95 1kpp s THR 99 Ca 0.35 1.47 0.00 0.00 -1.18 0.00 0.00 61.69 62.33 1kpp s THR 99 Cb -0.13 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.68 1kpp s THR 99 CO 0.21 0.43 0.00 0.61 -0.54 0.00 0.00 174.62 175.33 1kpp n GLY 100 N 2.20 -0.99 0.14 3.99 0.00 -0.20 -4.90 105.19 105.42 1kpp n GLY 100 Ca -0.05 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.22 1kpp n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kpp h LYS 101 N 0.00 0.00 0.00 1.61 6.56 -1.93 -1.29 116.57 121.52 1kpp h LYS 101 Ca 0.00 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.33 1kpp h LYS 101 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.61 1kpp h LYS 101 CO 0.00 0.57 -1.89 1.58 -2.06 0.00 0.00 179.45 177.65 1kpp n HIS 102 N -3.33 0.58 -3.24 -1.35 -0.00 -1.26 -3.03 115.22 103.59 1kpp n HIS 102 Ca 0.01 0.20 -0.24 0.00 0.46 0.00 0.00 57.72 58.15 1kpp n HIS 102 Cb 0.72 -1.05 -0.07 0.00 -0.12 0.00 0.00 29.99 29.47 1kpp n HIS 102 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 1kpp n VAL 103 N -2.84 0.25 0.00 3.57 0.24 -1.22 -3.00 118.33 115.33 1kpp n VAL 103 Ca -0.20 -4.43 0.00 0.00 -2.04 0.00 0.00 64.34 57.68 1kpp n VAL 103 Cb 1.00 -1.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 1kpp n VAL 103 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1kpp n ASP 104 N 1.10 0.00 -0.09 -1.34 5.75 -0.49 -1.04 116.55 120.44 1kpp n ASP 104 Ca 0.24 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.86 1kpp n ASP 104 Cb 0.51 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.54 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kpp n ALA 105 N -3.00 1.49 -1.10 2.12 0.00 -1.26 -3.62 120.51 115.14 1kpp n ALA 105 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 53.44 52.41 1kpp n ALA 105 Cb 0.00 0.16 0.07 0.00 0.00 0.00 0.00 19.45 19.68 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 -4.09 6.72 -3.71 0.00 3.02 -1.26 -4.87 115.26 111.07 1kpp n ASN 106 Ca -0.29 -3.46 -0.25 0.00 -0.03 0.00 0.00 54.58 50.55 1kpp n ASN 106 Cb 0.63 -0.98 0.03 0.00 -0.61 0.00 0.00 39.78 38.85 1kpp n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kpp n GLY 107 N -0.45 -0.56 3.71 7.41 0.00 -1.26 -4.72 105.19 109.32 1kpp n GLY 107 Ca 0.49 0.27 -0.35 0.00 0.00 0.00 0.00 46.02 46.43 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 -5.96 3.74 -0.54 1.61 1.02 -1.26 -0.88 119.74 117.48 1kpp s LYS 108 Ca 0.18 -0.29 -0.23 0.00 0.02 0.00 0.00 55.97 55.65 1kpp s LYS 108 Cb -0.06 -3.18 0.04 0.00 -0.52 0.00 0.00 37.83 34.12 1kpp s LYS 108 CO 0.84 0.46 0.89 0.42 -0.92 0.00 0.00 175.35 177.03 1kpp s ILE 109 N -0.14 4.47 -0.56 2.17 1.09 -1.16 -3.43 121.20 123.64 1kpp s ILE 109 Ca 0.08 0.19 0.03 0.00 -1.10 0.00 0.00 60.65 59.85 1kpp s ILE 109 Cb -0.12 -4.49 0.41 0.00 -1.06 0.00 0.00 42.46 37.19 1kpp s ILE 109 CO 0.01 -1.05 1.44 -1.22 -0.10 0.00 0.00 174.94 174.02 1kpp n TYR 110 N 7.25 3.21 -2.18 3.97 4.02 -1.17 -4.62 117.16 127.63 1kpp n TYR 110 Ca 0.01 -2.78 -0.42 0.00 -0.01 0.00 0.00 57.90 54.69 1kpp n TYR 110 Cb 0.47 -0.51 -0.03 0.00 -0.02 0.00 0.00 39.34 39.25 1kpp n TYR 110 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1kpp s LEU 111 N -3.72 4.29 0.48 7.72 1.43 -1.26 -4.84 118.68 122.78 1kpp s LEU 111 Ca 0.50 2.07 0.30 0.00 -1.03 0.00 0.00 54.13 55.97 1kpp s LEU 111 Cb 0.42 -3.54 1.09 0.00 0.03 0.00 0.00 46.19 44.18 1kpp s LEU 111 CO -0.22 -0.81 1.87 1.55 0.23 0.00 0.00 176.35 178.96 1kpp h PRO 112 N 8.58 0.00 0.18 1.29 0.13 -1.96 -3.28 132.00 136.94 1kpp h PRO 112 Ca -0.36 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1kpp h PRO 112 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1kpp h PRO 112 CO 0.94 0.00 -0.25 1.88 -0.23 0.00 0.00 178.00 180.34 1kpp h TYR 113 N 0.00 -0.65 -0.06 1.56 0.05 -1.94 0.40 116.97 116.32 1kpp h TYR 113 Ca 0.00 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 1kpp h TYR 113 Cb 0.60 0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 1kpp h TYR 113 CO 0.00 -0.35 -0.19 1.37 -1.05 0.00 0.00 178.16 177.94 1kpp h LEU 114 N -0.48 0.09 -0.45 3.88 -0.00 -1.96 -0.79 115.31 115.60 1kpp h LEU 114 Ca 0.01 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.88 57.77 1kpp h LEU 114 Cb 0.48 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.10 1kpp h LEU 114 CO -0.10 0.29 -0.13 -0.74 -0.00 0.00 0.00 178.44 177.77 1kpp h HIS 115 N 0.09 1.00 -0.75 0.17 2.76 -1.46 -3.01 115.15 113.95 1kpp h HIS 115 Ca 0.02 -0.22 -0.32 0.00 -2.20 0.00 0.00 60.37 57.64 1kpp h HIS 115 Cb 0.39 -0.24 -0.19 0.00 1.55 0.00 0.00 27.41 28.92 1kpp h HIS 115 CO 0.00 0.99 0.35 0.39 -1.30 0.00 0.00 177.93 178.36 1kpp n GLU 116 N -4.24 2.73 -3.06 5.26 1.02 0.07 -4.94 120.64 117.46 1kpp n GLU 116 Ca -0.00 -3.06 -0.42 0.00 -0.02 0.00 0.00 57.16 53.66 1kpp n GLU 116 Cb 0.39 -2.11 -0.06 0.00 -0.02 0.00 0.00 31.44 29.64 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 -3.16 3.16 -0.51 -0.32 -0.11 -0.33 -5.00 118.94 112.67 1kpp s TRP 117 Ca 0.53 0.50 0.03 0.00 1.22 0.00 0.00 56.10 58.38 1kpp s TRP 117 Cb 0.45 -3.16 0.15 0.00 -1.50 0.00 0.00 33.47 29.40 1kpp s TRP 117 CO 0.10 -0.60 0.32 -1.59 -4.62 0.00 0.00 176.95 170.55 1kpp s LYS 118 N 2.79 1.62 0.36 5.86 0.00 -1.26 -4.65 119.74 124.46 1kpp s LYS 118 Ca 0.27 -2.44 0.00 0.00 0.00 0.00 0.00 55.97 53.80 1kpp s LYS 118 Cb -0.14 -2.62 0.00 0.00 0.00 0.00 0.00 37.83 35.07 1kpp s LYS 118 CO 0.14 -1.22 0.00 0.72 0.00 0.00 0.00 175.35 175.00 1kpp n HIS 119 N 2.99 -2.29 0.86 1.78 8.25 -1.26 -4.90 115.22 120.64 1kpp n HIS 119 Ca 0.14 1.27 0.06 0.00 -0.26 0.00 0.00 57.72 58.93 1kpp n HIS 119 Cb 0.36 -2.09 0.17 0.00 1.12 0.00 0.00 29.99 29.55 1kpp n HIS 119 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1kpp n PRO 120 N -3.19 1.84 -1.51 -0.41 -0.04 -1.26 -4.60 135.00 125.84 1kpp n PRO 120 Ca -0.05 -1.30 0.03 0.00 -0.04 0.00 0.00 63.50 62.14 1kpp n PRO 120 Cb 0.38 -1.29 0.02 0.00 -0.04 0.00 0.00 33.50 32.57 1kpp n PRO 120 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1kpp n GLN 121 N 0.56 0.04 -1.75 0.54 3.00 -1.26 -5.02 117.38 113.49 1kpp n GLN 121 Ca 0.12 -1.99 -0.26 0.00 -0.01 0.00 0.00 57.00 54.86 1kpp n GLN 121 Cb 0.31 -0.02 -0.08 0.00 0.00 0.00 0.00 30.24 30.45 1kpp n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1kpp n SER 122 N 0.45 2.36 -1.47 1.08 2.88 -1.26 -3.19 113.62 114.46 1kpp n SER 122 Ca 0.05 -2.62 -0.02 0.00 -1.33 0.00 0.00 58.87 54.95 1kpp n SER 122 Cb 1.12 -1.62 0.01 0.00 -0.75 0.00 0.00 64.21 62.97 1kpp n SER 122 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1kpp n ASP 123 N 15.36 -0.50 -0.08 -3.46 -0.08 -1.26 -4.83 116.55 121.69 1kpp n ASP 123 Ca 0.44 -1.32 0.09 0.00 -1.51 0.00 0.00 54.79 52.49 1kpp n ASP 123 Cb 0.46 0.83 0.45 0.00 2.34 0.00 0.00 41.12 45.21 1kpp n ASP 123 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1kpp h LEU 124 N 0.00 0.45 0.30 -2.67 5.85 -1.94 -0.24 115.31 117.06 1kpp h LEU 124 Ca -0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1kpp h LEU 124 Cb 0.29 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1kpp h LEU 124 CO 0.10 0.29 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.27 1kpp h LEU 125 N 0.51 -0.35 -0.85 2.25 -0.00 -1.89 -2.79 115.31 112.20 1kpp h LEU 125 Ca 0.25 -0.07 -0.06 0.00 -0.00 0.00 0.00 57.88 58.00 1kpp h LEU 125 Cb 0.34 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.07 1kpp h LEU 125 CO -0.07 -0.15 0.13 1.23 -0.00 0.00 0.00 178.44 179.58 1kpp h GLY 126 N -0.53 1.07 0.91 0.83 0.00 -1.41 -2.24 103.07 101.71 1kpp h GLY 126 Ca -0.04 -0.66 0.15 0.00 0.00 0.00 0.00 47.33 46.78 1kpp h GLY 126 CO 0.07 0.61 0.40 -2.00 0.00 0.00 0.00 176.54 175.62 1kpp h LEU 127 N 0.94 0.00 0.00 3.11 5.85 -0.95 0.24 115.31 124.51 1kpp h LEU 127 Ca 0.20 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.70 1kpp h LEU 127 Cb 0.36 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1kpp h LEU 127 CO 0.00 0.00 -1.22 0.40 -0.34 0.00 0.00 178.44 177.29 1kpp h ILE 128 N 0.00 1.21 -0.86 4.05 1.08 -1.14 -3.33 117.51 118.53 1kpp h ILE 128 Ca 0.24 -2.91 -0.02 0.00 -0.39 0.00 0.00 64.86 61.78 1kpp h ILE 128 Cb 1.04 2.58 -0.04 0.00 -3.07 0.00 0.00 36.82 37.33 1kpp h ILE 128 CO -0.00 0.69 0.47 -0.61 -0.69 0.00 0.00 178.15 178.01 1kpp h GLN 129 N 0.00 1.20 -0.72 2.37 4.15 -0.21 -1.34 115.11 120.56 1kpp h GLN 129 Ca -0.11 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.17 1kpp h GLN 129 Cb 1.79 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 29.21 1kpp h GLN 129 CO 0.10 0.88 0.47 -0.24 -1.93 0.00 0.00 178.83 178.11 1kpp h VAL 130 N 1.20 1.18 -0.28 2.39 3.04 -1.58 -1.75 116.25 120.45 1kpp h VAL 130 Ca 0.30 -0.33 -0.08 0.00 -1.01 0.00 0.00 66.70 65.58 1kpp h VAL 130 Cb 0.04 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 29.43 1kpp h VAL 130 CO -0.05 0.18 -0.16 0.24 -1.01 0.00 0.00 177.57 176.77 1kpp h MET 131 N 0.96 0.48 -0.05 4.17 2.86 -1.57 0.43 114.93 122.21 1kpp h MET 131 Ca 0.26 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1kpp h MET 131 Cb -0.11 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 1kpp h MET 131 CO -0.06 0.63 0.03 0.82 1.06 0.00 0.00 176.91 179.39 1kpp h ILE 132 N 0.44 1.02 0.00 -1.22 2.04 -0.36 0.10 117.51 119.53 1kpp h ILE 132 Ca 0.08 -0.04 -0.25 0.00 1.00 0.00 0.00 64.86 65.65 1kpp h ILE 132 Cb 0.53 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1kpp h ILE 132 CO 0.03 0.02 -1.59 0.52 0.00 0.00 0.00 178.15 177.13 1kpp n VAL 133 N -4.53 1.51 -0.14 1.67 0.31 -0.85 -2.47 118.33 113.83 1kpp n VAL 133 Ca -0.02 -0.10 -0.03 0.00 -0.01 0.00 0.00 64.34 64.17 1kpp n VAL 133 Cb 0.09 -2.08 0.04 0.00 -0.91 0.00 0.00 33.84 30.98 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 0.62 0.00 2.52 2.07 -0.14 -0.53 116.25 119.79 1kpp h VAL 134 Ca -0.38 -0.03 -0.15 0.00 0.82 0.00 0.00 66.70 66.96 1kpp h VAL 134 Cb 1.27 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1kpp h VAL 134 CO -0.23 0.01 -0.75 -0.26 0.02 0.00 0.00 177.57 176.36 1kpp h PHE 135 N 0.08 0.00 0.00 1.57 0.04 -0.99 -3.19 116.94 114.45 1kpp h PHE 135 Ca 0.23 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 1kpp h PHE 135 Cb 0.34 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 1kpp h PHE 135 CO -0.32 0.72 -0.10 0.78 -0.60 0.00 0.00 178.31 178.79 1kpp h GLY 136 N 3.29 0.00 0.49 -1.45 0.00 -0.87 -2.95 103.07 101.59 1kpp h GLY 136 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.06 1kpp h GLY 136 CO 0.09 0.00 -1.33 -0.55 0.00 0.00 0.00 176.54 174.75 1kpp h ASP 137 N 0.00 0.34 -0.97 0.19 5.19 -1.17 -3.44 116.42 116.55 1kpp h ASP 137 Ca -0.00 -0.84 0.22 0.00 -0.62 0.00 0.00 57.03 55.80 1kpp h ASP 137 Cb 0.27 -0.11 -0.29 0.00 0.18 0.00 0.00 39.33 39.38 1kpp h ASP 137 CO 0.01 1.58 0.55 -0.70 -3.12 0.00 0.00 179.24 177.56 1kpp s GLU 138 N -2.46 0.09 0.44 3.56 2.12 -1.11 -4.95 118.70 116.39 1kpp s GLU 138 Ca -0.20 0.20 -0.24 0.00 0.36 0.00 0.00 54.97 55.09 1kpp s GLU 138 Cb 0.04 0.09 -0.10 0.00 0.26 0.00 0.00 34.13 34.42 1kpp s GLU 138 CO 0.75 -0.03 1.06 -2.30 -0.54 0.00 0.00 175.26 174.20 1kpp n PRO 139 N 4.11 1.42 0.11 4.30 -0.02 -1.25 -4.57 135.00 139.10 1kpp n PRO 139 Ca -0.11 0.51 -0.23 0.00 -2.02 0.00 0.00 63.50 61.65 1kpp n PRO 139 Cb 0.56 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.76 1kpp n PRO 139 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1kpp h PRO 140 N 1.54 0.46 -6.26 0.52 0.13 -1.93 -3.45 132.00 123.01 1kpp h PRO 140 Ca -0.46 -0.78 -0.55 0.00 -0.87 0.00 0.00 66.00 63.34 1kpp h PRO 140 Cb 1.33 0.29 0.00 0.00 0.13 0.00 0.00 31.00 32.76 1kpp h PRO 140 CO 0.57 1.37 1.22 0.14 -0.23 0.00 0.00 178.00 181.07 1kpp s VAL 141 N -2.59 3.25 -0.84 1.56 -7.23 -1.26 -4.28 120.40 109.01 1kpp s VAL 141 Ca -0.12 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1kpp s VAL 141 Cb 0.05 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.77 1kpp s VAL 141 CO 0.90 -0.06 0.00 0.33 -0.31 0.00 0.00 175.10 175.96 1kpp n PHE 142 N 8.24 0.00 -2.17 2.82 7.35 -1.16 -4.72 117.46 127.82 1kpp n PHE 142 Ca 0.21 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.90 1kpp n PHE 142 Cb 0.43 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.26 1kpp n PHE 142 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1kpp n SER 143 N 0.50 0.27 -2.67 -2.13 3.41 -1.26 -2.64 113.62 109.10 1kpp n SER 143 Ca 0.00 -1.89 -0.03 0.00 -0.26 0.00 0.00 58.87 56.69 1kpp n SER 143 Cb 0.00 -0.17 0.03 0.00 -0.26 0.00 0.00 64.21 63.81 1kpp n SER 143 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1kpp s ARG 144 N 0.00 0.16 0.00 4.33 3.52 -1.26 -5.15 118.95 120.54 1kpp s ARG 144 Ca 0.12 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 1kpp s ARG 144 Cb 0.14 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 1kpp s ARG 144 CO -0.06 -0.20 0.29 -2.30 -0.81 0.00 0.00 175.30 172.23