#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpp n VAL 3 N 0.00 1.32 -0.88 0.00 3.14 -1.26 -5.10 118.33 115.55 1kpp n VAL 3 Ca 0.00 -0.79 0.00 0.00 -2.96 0.00 0.00 64.34 60.59 1kpp n VAL 3 Cb 0.00 -0.64 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 1kpp n VAL 3 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1kpp n SER 4 N -2.82 -4.96 -0.06 6.55 2.88 -1.26 -3.64 113.62 110.31 1kpp n SER 4 Ca -0.22 0.88 0.05 0.00 -1.33 0.00 0.00 58.87 58.25 1kpp n SER 4 Cb 1.03 -2.32 0.41 0.00 -0.75 0.00 0.00 64.21 62.58 1kpp n SER 4 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1kpp h GLU 5 N 0.49 0.59 -0.12 -1.46 3.07 -1.98 -1.72 114.58 113.44 1kpp h GLU 5 Ca 0.00 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1kpp h GLU 5 Cb 0.28 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1kpp h GLU 5 CO 0.00 0.39 -0.01 0.77 -1.40 0.00 0.00 179.01 178.76 1kpp h SER 6 N 0.61 -0.06 -0.04 1.42 0.02 -2.00 0.21 113.55 113.70 1kpp h SER 6 Ca 0.20 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1kpp h SER 6 Cb 0.06 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1kpp h SER 6 CO -0.05 -0.01 0.00 -0.61 -1.14 0.00 0.00 176.83 175.02 1kpp h GLN 7 N 0.03 0.07 -0.12 3.45 4.15 -1.52 -2.87 115.11 118.30 1kpp h GLN 7 Ca 0.06 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.49 1kpp h GLN 7 Cb 0.07 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1kpp h GLN 7 CO -0.10 0.35 0.09 1.25 -1.93 0.00 0.00 178.83 178.49 1kpp h LEU 8 N -0.21 0.00 0.27 -2.39 5.85 -1.18 -1.77 115.31 115.88 1kpp h LEU 8 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1kpp h LEU 8 Cb 0.31 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1kpp h LEU 8 CO 0.00 0.00 -0.28 0.50 -0.34 0.00 0.00 178.44 178.32 1kpp h LYS 9 N 0.00 -0.57 0.00 1.25 3.64 -0.35 -0.06 116.57 120.48 1kpp h LYS 9 Ca 0.06 0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 1kpp h LYS 9 Cb 0.24 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1kpp h LYS 9 CO -0.00 -0.38 -0.49 0.87 -2.27 0.00 0.00 179.45 177.18 1kpp h LYS 10 N -0.59 0.00 -0.07 1.90 1.57 -1.48 -0.10 116.57 117.79 1kpp h LYS 10 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1kpp h LYS 10 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1kpp h LYS 10 CO -0.07 0.49 0.03 0.52 -0.57 0.00 0.00 179.45 179.85 1kpp h MET 11 N 0.00 0.10 -0.55 3.15 2.86 -0.90 -2.95 114.93 116.64 1kpp h MET 11 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1kpp h MET 11 Cb 0.88 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1kpp h MET 11 CO 0.06 0.20 0.00 1.33 1.06 0.00 0.00 176.91 179.56 1kpp n VAL 12 N -4.97 2.67 0.19 -2.22 0.24 -0.07 -4.44 118.33 109.73 1kpp n VAL 12 Ca -0.06 -1.45 0.03 0.00 -2.04 0.00 0.00 64.34 60.82 1kpp n VAL 12 Cb 0.09 -0.25 0.38 0.00 -1.47 0.00 0.00 33.84 32.60 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 3.77 0.00 -0.24 -1.34 4.64 -0.83 -2.65 113.55 116.91 1kpp h SER 13 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1kpp h SER 13 Cb 1.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.98 1kpp h SER 13 CO 0.45 0.35 0.16 0.50 -0.87 0.00 0.00 176.83 177.42 1kpp h LYS 14 N 0.00 0.15 -6.55 4.77 3.64 -1.78 -3.42 116.57 113.38 1kpp h LYS 14 Ca -0.00 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.81 1kpp h LYS 14 Cb 0.62 -0.03 0.06 0.00 -0.41 0.00 0.00 32.23 32.46 1kpp h LYS 14 CO 0.04 0.10 0.88 0.66 -2.27 0.00 0.00 179.45 178.86 1kpp n TYR 15 N -4.49 2.44 0.34 1.91 4.02 -1.00 -4.92 117.16 115.46 1kpp n TYR 15 Ca 0.02 0.18 -0.15 0.00 -0.01 0.00 0.00 57.90 57.94 1kpp n TYR 15 Cb 0.20 -2.59 -0.08 0.00 -0.02 0.00 0.00 39.34 36.85 1kpp n TYR 15 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1kpp h LYS 16 N 6.31 -0.91 0.44 -0.72 1.79 -1.80 -3.28 116.57 118.40 1kpp h LYS 16 Ca -0.44 0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.07 1kpp h LYS 16 Cb 1.24 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 1kpp h LYS 16 CO 0.91 -0.61 -0.21 1.88 -1.08 0.00 0.00 179.45 180.35 1kpp h TYR 17 N -0.94 -0.55 0.00 -1.35 -1.99 -1.92 -3.45 116.97 106.77 1kpp h TYR 17 Ca -0.09 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1kpp h TYR 17 Cb 0.75 0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.66 1kpp h TYR 17 CO -0.04 -0.25 0.00 -2.13 -0.00 0.00 0.00 178.16 175.74 1kpp n ARG 18 N -5.27 0.00 -0.18 4.88 0.63 -1.24 -4.20 116.66 111.28 1kpp n ARG 18 Ca -0.11 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.80 1kpp n ARG 18 Cb 0.29 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.25 1kpp n ARG 18 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1kpp h ASP 19 N 0.00 -0.45 -0.27 6.15 3.32 -1.91 0.60 116.42 123.87 1kpp h ASP 19 Ca 0.00 0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1kpp h ASP 19 Cb 0.00 0.32 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1kpp h ASP 19 CO 0.00 -0.16 0.09 0.25 -1.72 0.00 0.00 179.24 177.69 1kpp h LEU 20 N 0.02 0.09 -1.16 1.55 6.46 -1.98 0.65 115.31 120.94 1kpp h LEU 20 Ca 0.27 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.98 1kpp h LEU 20 Cb 0.42 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1kpp h LEU 20 CO -0.54 0.09 -0.30 0.74 -0.62 0.00 0.00 178.44 177.80 1kpp h THR 21 N 0.20 1.25 0.00 1.05 2.02 -1.57 -1.52 112.91 114.35 1kpp h THR 21 Ca 0.12 -1.21 -0.11 0.00 0.77 0.00 0.00 66.41 65.98 1kpp h THR 21 Cb 0.09 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1kpp h THR 21 CO -0.13 0.36 -0.52 0.58 0.37 0.00 0.00 175.52 176.19 1kpp h VAL 22 N 0.18 0.90 0.06 3.16 2.07 0.88 -2.61 116.25 120.89 1kpp h VAL 22 Ca 0.03 -2.26 -0.10 0.00 0.82 0.00 0.00 66.70 65.19 1kpp h VAL 22 Cb 0.62 2.44 0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1kpp h VAL 22 CO 0.05 0.51 -0.41 -0.09 0.02 0.00 0.00 177.57 177.64 1kpp h ARG 23 N 0.00 0.18 -0.36 1.57 2.43 0.68 -2.90 114.38 115.96 1kpp h ARG 23 Ca -0.01 -0.27 -0.08 0.00 -0.81 0.00 0.00 59.98 58.82 1kpp h ARG 23 Cb 1.40 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 1kpp h ARG 23 CO 0.07 1.09 -0.07 0.93 -1.51 0.00 0.00 179.97 180.48 1kpp h GLU 24 N -0.60 0.69 -0.31 0.20 5.08 -1.40 -1.75 114.58 116.48 1kpp h GLU 24 Ca -0.07 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1kpp h GLU 24 Cb 1.28 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1kpp h GLU 24 CO 0.08 0.83 0.15 0.00 -1.00 0.00 0.00 179.01 179.07 1kpp h THR 25 N 0.49 0.98 -0.26 1.13 1.03 -1.60 -2.50 112.91 112.19 1kpp h THR 25 Ca 0.10 -0.11 -0.01 0.00 -0.01 0.00 0.00 66.41 66.38 1kpp h THR 25 Cb 0.56 0.63 -0.01 0.00 -1.07 0.00 0.00 68.15 68.27 1kpp h THR 25 CO 0.03 0.06 0.12 1.62 -0.01 0.00 0.00 175.52 177.34 1kpp h VAL 26 N 0.32 1.15 -0.87 0.00 3.04 -1.47 -2.42 116.25 116.00 1kpp h VAL 26 Ca 0.13 -0.42 0.22 0.00 -1.01 0.00 0.00 66.70 65.62 1kpp h VAL 26 Cb 0.05 0.95 -0.05 0.00 -2.01 0.00 0.00 31.29 30.23 1kpp h VAL 26 CO -0.09 0.15 0.60 0.78 -1.01 0.00 0.00 177.57 177.99 1kpp h ASN 27 N 0.28 0.21 0.11 3.17 2.35 -1.03 0.55 115.58 121.22 1kpp h ASN 27 Ca 0.09 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1kpp h ASN 27 Cb 0.12 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1kpp h ASN 27 CO -0.01 0.08 -0.05 0.58 -1.65 0.00 0.00 177.43 176.37 1kpp h VAL 28 N 0.21 0.00 -0.26 2.81 2.07 -1.01 -2.81 116.25 117.26 1kpp h VAL 28 Ca 0.44 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.78 1kpp h VAL 28 Cb 1.39 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1kpp h VAL 28 CO -0.10 0.00 0.21 0.16 0.02 0.00 0.00 177.57 177.86 1kpp h ILE 29 N -0.40 0.70 -0.13 4.57 3.07 -1.22 0.51 117.51 124.62 1kpp h ILE 29 Ca -0.02 0.00 -0.13 0.00 1.55 0.00 0.00 64.86 66.27 1kpp h ILE 29 Cb 0.12 0.84 -0.01 0.00 -0.27 0.00 0.00 36.82 37.50 1kpp h ILE 29 CO 0.03 0.00 -0.49 0.74 -1.05 0.00 0.00 178.15 177.38 1kpp h THR 30 N 0.00 1.33 0.05 0.16 2.02 0.00 -3.23 112.91 113.25 1kpp h THR 30 Ca 0.12 -1.71 -0.33 0.00 0.77 0.00 0.00 66.41 65.27 1kpp h THR 30 Cb 0.55 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 1kpp h THR 30 CO -0.00 0.51 -1.86 -0.11 0.37 0.00 0.00 175.52 174.43 1kpp n LEU 31 N -3.97 1.64 -4.58 2.58 -0.00 -0.08 -4.83 117.00 107.76 1kpp n LEU 31 Ca -0.02 0.31 -0.37 0.00 -0.00 0.00 0.00 56.01 55.93 1kpp n LEU 31 Cb 0.54 -0.39 -0.11 0.00 -0.00 0.00 0.00 43.42 43.46 1kpp n LEU 31 CO 0.44 0.60 -0.21 -0.31 -0.00 0.00 0.00 177.39 177.91 1kpp s TYR 32 N -2.58 3.21 -0.45 1.96 1.51 0.16 -4.97 117.35 116.19 1kpp s TYR 32 Ca -0.13 -0.00 0.03 0.00 -1.01 0.00 0.00 57.07 55.96 1kpp s TYR 32 Cb 0.07 -2.27 0.63 0.00 -0.11 0.00 0.00 41.96 40.28 1kpp s TYR 32 CO 0.80 -0.11 1.90 1.63 -1.11 0.00 0.00 175.55 178.66 1kpp n LYS 33 N 4.62 2.24 -0.26 -0.62 4.01 -1.26 -4.06 118.16 122.83 1kpp n LYS 33 Ca -0.15 -2.92 0.01 0.00 -0.51 0.00 0.00 58.31 54.73 1kpp n LYS 33 Cb 0.52 -2.15 0.01 0.00 -0.51 0.00 0.00 35.03 32.90 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 -1.07 0.26 -4.63 4.39 9.92 -1.26 -5.09 116.55 119.07 1kpp n ASP 34 Ca 0.58 -1.70 -0.26 0.00 -0.53 0.00 0.00 54.79 52.88 1kpp n ASP 34 Cb 1.55 -0.13 -0.10 0.00 -0.64 0.00 0.00 41.12 41.80 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 -0.25 2.92 -0.17 0.64 1.02 -1.26 -2.27 118.68 119.30 1kpp s LEU 35 Ca 0.02 -1.19 -0.14 0.00 0.02 0.00 0.00 54.13 52.85 1kpp s LEU 35 Cb 0.02 -1.13 0.05 0.00 0.02 0.00 0.00 46.19 45.15 1kpp s LEU 35 CO 0.00 -0.36 0.44 -0.54 0.02 0.00 0.00 176.35 175.91 1kpp s LYS 36 N -3.73 0.49 0.69 1.70 -0.14 -0.83 -4.97 119.74 112.96 1kpp s LYS 36 Ca 0.36 0.68 -0.11 0.00 -1.36 0.00 0.00 55.97 55.54 1kpp s LYS 36 Cb 0.05 0.18 0.00 0.00 -1.68 0.00 0.00 37.83 36.38 1kpp s LYS 36 CO 0.19 -0.09 1.06 -1.25 -0.76 0.00 0.00 175.35 174.50 1kpp s PRO 37 N 0.59 2.98 0.13 -1.68 0.04 -1.26 -0.95 135.00 134.84 1kpp s PRO 37 Ca -0.03 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1kpp s PRO 37 Cb -0.05 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1kpp s PRO 37 CO -0.04 -1.06 0.33 0.08 0.04 0.00 0.00 177.00 176.34 1kpp s VAL 38 N -3.02 0.09 -0.10 -0.36 1.01 0.26 -4.77 120.40 113.51 1kpp s VAL 38 Ca 0.58 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1kpp s VAL 38 Cb -0.14 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1kpp s VAL 38 CO 0.54 -0.40 -0.09 -0.22 0.00 0.00 0.00 175.10 174.94 1kpp s LEU 39 N -2.86 1.29 0.09 3.92 1.98 -1.26 -1.79 118.68 120.05 1kpp s LEU 39 Ca 0.07 -0.30 0.00 0.00 -2.89 0.00 0.00 54.13 51.01 1kpp s LEU 39 Cb 0.03 -0.83 -0.04 0.00 0.66 0.00 0.00 46.19 46.00 1kpp s LEU 39 CO -0.08 -0.08 -0.02 -0.62 -1.89 0.00 0.00 176.35 173.65 1kpp s ASP 40 N 1.47 0.75 0.12 3.68 2.15 -0.88 -4.98 116.67 118.99 1kpp s ASP 40 Ca 0.00 -1.06 0.05 0.00 0.43 0.00 0.00 52.55 51.98 1kpp s ASP 40 Cb -0.13 0.17 -0.04 0.00 -0.30 0.00 0.00 42.92 42.62 1kpp s ASP 40 CO -0.06 -0.58 0.04 -0.55 -0.17 0.00 0.00 175.17 173.86 1kpp s SER 41 N -3.01 5.15 -0.46 -0.34 0.15 -1.26 -2.08 113.70 111.85 1kpp s SER 41 Ca 0.14 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.62 1kpp s SER 41 Cb 0.07 -1.25 0.14 0.00 -1.71 0.00 0.00 66.02 63.27 1kpp s SER 41 CO -0.05 0.13 0.26 -0.47 1.20 0.00 0.00 173.24 174.32 1kpp s TYR 42 N -1.51 2.04 0.88 3.44 5.04 -0.98 -4.93 117.35 121.32 1kpp s TYR 42 Ca 0.28 -2.48 -0.11 0.00 -2.44 0.00 0.00 57.07 52.31 1kpp s TYR 42 Cb -0.11 -1.88 0.12 0.00 0.35 0.00 0.00 41.96 40.44 1kpp s TYR 42 CO 0.20 -0.77 1.09 0.14 -1.34 0.00 0.00 175.55 174.88 1kpp s VAL 43 N 0.20 2.74 -0.72 3.14 -7.23 -1.26 -3.32 120.40 113.95 1kpp s VAL 43 Ca 0.19 0.24 0.04 0.00 -1.81 0.00 0.00 61.98 60.65 1kpp s VAL 43 Cb -0.21 -2.66 0.20 0.00 0.56 0.00 0.00 36.38 34.27 1kpp s VAL 43 CO -0.02 -0.31 0.63 0.49 -0.31 0.00 0.00 175.10 175.57 1kpp n PHE 44 N -3.88 3.48 -3.47 2.82 3.01 -1.20 -4.84 117.46 113.38 1kpp n PHE 44 Ca 0.08 -4.21 -0.19 0.00 1.01 0.00 0.00 57.45 54.14 1kpp n PHE 44 Cb 0.54 -0.69 0.06 0.00 -0.01 0.00 0.00 39.48 39.39 1kpp n PHE 44 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1kpp n ASN 45 N 1.65 -3.81 -2.87 4.37 3.02 -1.26 -1.63 115.26 114.73 1kpp n ASN 45 Ca 0.23 -0.75 -0.12 0.00 -0.03 0.00 0.00 54.58 53.91 1kpp n ASN 45 Cb 0.37 -4.67 -0.01 0.00 -0.61 0.00 0.00 39.78 34.85 1kpp n ASN 45 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1kpp n ASP 46 N -3.09 -2.38 -0.00 6.41 5.68 -1.26 -4.74 116.55 117.16 1kpp n ASP 46 Ca -0.19 0.06 0.05 0.00 -0.50 0.00 0.00 54.79 54.21 1kpp n ASP 46 Cb 0.64 -2.08 -0.08 0.00 -1.14 0.00 0.00 41.12 38.47 1kpp n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kpp n GLY 47 N -0.77 -0.42 0.00 6.12 0.00 -0.65 -5.09 105.19 104.38 1kpp n GLY 47 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1kpp n GLY 47 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kpp n SER 48 N -1.80 0.00 -3.66 1.61 2.88 -1.26 -4.95 113.62 106.43 1kpp n SER 48 Ca -0.02 -0.78 -0.08 0.00 -1.33 0.00 0.00 58.87 56.67 1kpp n SER 48 Cb 0.26 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.63 1kpp n SER 48 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1kpp s SER 49 N -0.34 -0.46 -0.15 -3.46 0.01 -1.26 -3.25 113.70 104.79 1kpp s SER 49 Ca 0.00 1.07 0.01 0.00 1.31 0.00 0.00 55.95 58.33 1kpp s SER 49 Cb 0.00 1.32 0.02 0.00 0.21 0.00 0.00 66.02 67.57 1kpp s SER 49 CO 0.00 -0.22 -0.15 -0.60 0.41 0.00 0.00 173.24 172.67 1kpp s ARG 50 N 2.29 2.45 0.43 12.44 3.52 -1.21 -5.00 118.95 133.87 1kpp s ARG 50 Ca -0.05 -0.62 -0.26 0.00 -0.13 0.00 0.00 55.73 54.68 1kpp s ARG 50 Cb -0.11 -2.20 -0.09 0.00 -1.56 0.00 0.00 34.95 30.99 1kpp s ARG 50 CO -0.14 -0.23 1.44 0.39 -0.81 0.00 0.00 175.30 175.96 1kpp n GLU 51 N 4.72 2.35 -3.79 5.12 -0.58 -1.26 -2.32 120.64 124.88 1kpp n GLU 51 Ca -0.18 0.83 -0.13 0.00 -0.42 0.00 0.00 57.16 57.27 1kpp n GLU 51 Cb 0.50 -2.64 -0.11 0.00 -0.57 0.00 0.00 31.44 28.62 1kpp n GLU 51 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1kpp s LEU 52 N -2.51 1.07 -0.09 -4.62 2.96 -0.88 -4.83 118.68 109.77 1kpp s LEU 52 Ca 0.59 0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.90 1kpp s LEU 52 Cb -0.46 0.88 -0.03 0.00 0.50 0.00 0.00 46.19 47.08 1kpp s LEU 52 CO 0.59 -0.14 -0.00 -0.32 -1.32 0.00 0.00 176.35 175.16 1kpp s MET 53 N -0.10 3.00 0.05 1.98 1.75 -1.26 -2.07 119.30 122.66 1kpp s MET 53 Ca -0.02 -0.42 0.00 0.00 -1.25 0.00 0.00 55.69 54.00 1kpp s MET 53 Cb -0.02 -2.79 -0.04 0.00 2.84 0.00 0.00 34.83 34.82 1kpp s MET 53 CO 0.01 0.68 -0.04 0.54 -0.65 0.00 0.00 175.02 175.56 1kpp s ASN 54 N -0.83 0.62 -0.09 1.11 2.20 -0.74 -2.64 114.94 114.57 1kpp s ASN 54 Ca 0.13 -0.88 0.03 0.00 -0.94 0.00 0.00 52.86 51.19 1kpp s ASN 54 Cb -0.11 0.15 0.01 0.00 -2.00 0.00 0.00 41.25 39.29 1kpp s ASN 54 CO 0.02 -0.49 -0.17 -0.76 -2.94 0.00 0.00 177.10 172.76 1kpp s LEU 55 N -2.59 1.83 -0.05 3.54 1.43 -1.19 0.91 118.68 122.56 1kpp s LEU 55 Ca 0.03 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1kpp s LEU 55 Cb 0.03 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 1kpp s LEU 55 CO -0.06 0.07 -0.19 -0.89 0.23 0.00 0.00 176.35 175.50 1kpp s THR 56 N 0.67 1.61 0.00 5.49 2.01 -0.13 -1.54 115.64 123.75 1kpp s THR 56 Ca -0.13 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.06 1kpp s THR 56 Cb -0.16 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 70.96 1kpp s THR 56 CO 0.04 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 1kpp n GLY 57 N 3.19 0.74 3.77 4.40 0.00 -1.22 -1.96 105.19 114.10 1kpp n GLY 57 Ca -0.18 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 4.86 0.22 2.61 -4.23 -0.96 -2.40 115.64 113.74 1kpp s THR 58 Ca 0.00 -0.03 0.10 0.00 -1.18 0.00 0.00 61.69 60.58 1kpp s THR 58 Cb 0.00 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 1kpp s THR 58 CO 0.00 0.60 -0.15 0.27 -0.54 0.00 0.00 174.62 174.81 1kpp s ILE 59 N -0.87 2.83 0.23 2.99 -5.25 -1.17 -4.43 121.20 115.52 1kpp s ILE 59 Ca 0.13 -1.97 -0.30 0.00 -0.99 0.00 0.00 60.65 57.52 1kpp s ILE 59 Cb -0.12 -2.43 -0.09 0.00 2.95 0.00 0.00 42.46 42.77 1kpp s ILE 59 CO 0.03 -0.22 1.37 -2.16 -1.79 0.00 0.00 174.94 172.17 1kpp s PRO 60 N -3.06 4.33 -0.23 0.37 0.04 -1.26 -2.09 135.00 133.10 1kpp s PRO 60 Ca 0.26 2.18 -0.04 0.00 0.04 0.00 0.00 61.00 63.44 1kpp s PRO 60 Cb -0.07 -3.15 0.09 0.00 0.04 0.00 0.00 34.50 31.41 1kpp s PRO 60 CO 0.14 -0.33 0.19 0.08 0.04 0.00 0.00 177.00 177.12 1kpp s VAL 61 N -0.00 -0.23 0.25 -0.36 1.01 0.76 -4.85 120.40 116.98 1kpp s VAL 61 Ca 0.58 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1kpp s VAL 61 Cb -0.39 -0.77 -0.10 0.00 0.00 0.00 0.00 36.38 35.12 1kpp s VAL 61 CO 0.41 -0.38 1.47 -2.16 0.00 0.00 0.00 175.10 174.44 1kpp s PRO 62 N 2.24 4.25 -0.30 2.72 0.04 -1.26 0.76 135.00 143.45 1kpp s PRO 62 Ca 0.07 2.34 -0.12 0.00 0.04 0.00 0.00 61.00 63.32 1kpp s PRO 62 Cb -0.16 -3.10 0.17 0.00 0.04 0.00 0.00 34.50 31.45 1kpp s PRO 62 CO -0.20 -0.46 0.90 -0.47 0.04 0.00 0.00 177.00 176.81 1kpp s TYR 63 N 0.07 -0.88 0.00 0.56 5.04 -0.24 -4.36 117.35 117.54 1kpp s TYR 63 Ca 0.60 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 56.51 1kpp s TYR 63 Cb -0.43 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.32 1kpp s TYR 63 CO 0.43 -0.45 0.00 2.89 -1.34 0.00 0.00 175.55 177.08 1kpp n ARG 64 N 5.22 0.00 0.00 4.97 -4.01 -1.26 -3.27 116.66 118.30 1kpp n ARG 64 Ca -0.08 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.73 1kpp n ARG 64 Cb 0.52 -1.40 0.00 0.00 -3.04 0.00 0.00 32.46 28.54 1kpp n ARG 64 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1kpp n GLY 65 N -2.00 0.96 3.67 2.89 0.00 -1.26 -5.13 105.19 104.32 1kpp n GLY 65 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1kpp n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kpp s ASN 66 N -0.97 3.76 -0.34 1.61 0.02 -1.20 -5.12 114.94 112.69 1kpp s ASN 66 Ca 0.00 -1.55 -0.12 0.00 -1.02 0.00 0.00 52.86 50.17 1kpp s ASN 66 Cb 0.00 0.19 -0.01 0.00 0.02 0.00 0.00 41.25 41.45 1kpp s ASN 66 CO 0.00 -0.72 0.23 -0.89 0.02 0.00 0.00 177.10 175.74 1kpp s THR 67 N -2.90 5.12 0.13 1.60 2.01 -1.26 -1.08 115.64 119.27 1kpp s THR 67 Ca 0.19 -0.33 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 1kpp s THR 67 Cb 0.05 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 1kpp s THR 67 CO 0.10 -0.04 0.42 -0.47 -0.69 0.00 0.00 174.62 173.94 1kpp s TYR 68 N 1.69 3.51 -0.53 4.92 6.14 0.23 -4.76 117.35 128.55 1kpp s TYR 68 Ca 0.05 0.70 -0.19 0.00 0.64 0.00 0.00 57.07 58.27 1kpp s TYR 68 Cb -0.18 -2.11 0.07 0.00 0.42 0.00 0.00 41.96 40.16 1kpp s TYR 68 CO 0.09 0.44 0.65 -0.80 0.64 0.00 0.00 175.55 176.57 1kpp s ASN 69 N -2.17 6.22 -0.55 4.32 0.02 -1.26 -0.17 114.94 121.35 1kpp s ASN 69 Ca 0.39 -1.01 -0.13 0.00 -1.02 0.00 0.00 52.86 51.08 1kpp s ASN 69 Cb -0.13 -2.30 0.14 0.00 0.02 0.00 0.00 41.25 38.98 1kpp s ASN 69 CO 0.22 -0.95 0.47 -0.63 0.02 0.00 0.00 177.10 176.23 1kpp s ILE 70 N 2.67 4.90 0.64 0.60 -1.09 -0.89 -4.85 121.20 123.18 1kpp s ILE 70 Ca 0.15 -1.71 -0.16 0.00 -2.23 0.00 0.00 60.65 56.69 1kpp s ILE 70 Cb -0.20 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.52 1kpp s ILE 70 CO 0.11 -0.86 1.13 -2.16 -1.23 0.00 0.00 174.94 171.94 1kpp s PRO 71 N 1.36 2.83 0.05 2.79 0.04 -1.26 -3.04 135.00 137.77 1kpp s PRO 71 Ca 0.06 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 1kpp s PRO 71 Cb -0.27 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.39 1kpp s PRO 71 CO 0.01 -1.25 0.61 0.96 0.04 0.00 0.00 177.00 177.37 1kpp s ILE 72 N -2.13 0.01 0.08 0.56 -5.25 -1.01 -4.34 121.20 109.12 1kpp s ILE 72 Ca 0.70 -0.05 0.03 0.00 -0.99 0.00 0.00 60.65 60.33 1kpp s ILE 72 Cb -0.23 -1.00 -0.04 0.00 2.95 0.00 0.00 42.46 44.14 1kpp s ILE 72 CO 0.38 -0.03 0.09 0.00 -1.79 0.00 0.00 174.94 173.59 1kpp s LEU 74 N -2.40 2.11 -0.01 0.00 1.43 -0.59 -2.48 118.68 116.74 1kpp s LEU 74 Ca 0.30 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 1kpp s LEU 74 Cb -0.12 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1kpp s LEU 74 CO 0.22 0.20 -0.16 0.26 0.23 0.00 0.00 176.35 177.10 1kpp s TRP 75 N -0.65 1.44 0.33 0.29 0.23 -0.98 -3.14 118.94 116.46 1kpp s TRP 75 Ca 0.07 -0.27 0.04 0.00 -2.03 0.00 0.00 56.10 53.91 1kpp s TRP 75 Cb -0.08 -0.93 -0.06 0.00 0.03 0.00 0.00 33.47 32.43 1kpp s TRP 75 CO 0.01 -0.03 0.06 -0.51 0.96 0.00 0.00 176.95 177.44 1kpp s LEU 76 N -0.37 2.16 0.28 2.99 2.01 -1.08 -3.06 118.68 121.61 1kpp s LEU 76 Ca 0.06 -1.39 0.06 0.00 0.01 0.00 0.00 54.13 52.87 1kpp s LEU 76 Cb -0.06 -0.37 -0.06 0.00 0.01 0.00 0.00 46.19 45.71 1kpp s LEU 76 CO -0.01 -0.63 -0.03 -1.48 1.01 0.00 0.00 176.35 175.22 1kpp s LEU 77 N -3.49 2.41 0.15 1.79 -0.00 -1.26 -4.61 118.68 113.67 1kpp s LEU 77 Ca 0.36 -1.22 -0.10 0.00 -0.00 0.00 0.00 54.13 53.17 1kpp s LEU 77 Cb 0.08 -0.55 -0.02 0.00 -0.00 0.00 0.00 46.19 45.70 1kpp s LEU 77 CO 0.15 -0.41 1.48 0.44 -0.00 0.00 0.00 176.35 178.01 1kpp h ASP 78 N 2.27 0.95 0.00 1.48 5.19 -1.93 -3.47 116.42 120.91 1kpp h ASP 78 Ca -0.40 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 55.56 1kpp h ASP 78 Cb 1.23 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1kpp h ASP 78 CO 0.68 1.24 0.00 1.07 -3.12 0.00 0.00 179.24 179.10 1kpp n THR 79 N -4.04 0.00 -3.58 0.35 5.66 -1.26 -3.05 114.28 108.35 1kpp n THR 79 Ca -0.03 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.90 1kpp n THR 79 Cb 0.56 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.32 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 -0.29 -2.54 1.09 2.02 -1.26 -4.44 117.35 111.92 1kpp s TYR 80 Ca 0.00 0.09 0.27 0.00 -0.37 0.00 0.00 57.07 57.06 1kpp s TYR 80 Cb 0.00 0.58 0.78 0.00 -0.40 0.00 0.00 41.96 42.92 1kpp s TYR 80 CO 0.00 -0.68 1.59 -0.35 -1.57 0.00 0.00 175.55 174.54 1kpp n PRO 81 N -0.33 1.74 -1.41 -1.71 -0.04 -1.26 -4.89 135.00 127.10 1kpp n PRO 81 Ca -0.09 -1.16 -0.25 0.00 -0.04 0.00 0.00 63.50 61.96 1kpp n PRO 81 Cb 0.62 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.52 1kpp n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1kpp n TYR 82 N 0.38 1.32 -0.35 0.54 4.01 -1.26 -4.75 117.16 117.06 1kpp n TYR 82 Ca 0.17 -1.98 0.02 0.00 -0.16 0.00 0.00 57.90 55.95 1kpp n TYR 82 Cb 0.42 -1.55 0.09 0.00 -0.31 0.00 0.00 39.34 37.99 1kpp n TYR 82 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 1kpp h ASN 83 N 3.29 -1.09 -2.82 7.72 -1.07 -1.90 -3.38 115.58 116.34 1kpp h ASN 83 Ca 0.40 0.29 -0.56 0.00 0.07 0.00 0.00 56.30 56.50 1kpp h ASN 83 Cb 0.86 0.64 -0.03 0.00 -2.07 0.00 0.00 38.32 37.73 1kpp h ASN 83 CO 0.82 -0.30 1.09 -2.16 0.07 0.00 0.00 177.43 176.94 1kpp s PRO 84 N -6.14 3.86 1.05 4.14 0.04 -1.26 -4.81 135.00 131.88 1kpp s PRO 84 Ca -0.14 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 1kpp s PRO 84 Cb 0.23 -4.00 0.22 0.00 0.04 0.00 0.00 34.50 31.00 1kpp s PRO 84 CO 0.75 -1.21 1.07 -1.25 0.04 0.00 0.00 177.00 176.40 1kpp s PRO 85 N 4.50 0.01 0.24 0.56 0.04 -1.26 -5.00 135.00 134.08 1kpp s PRO 85 Ca 0.68 0.82 0.06 0.00 0.04 0.00 0.00 61.00 62.60 1kpp s PRO 85 Cb -0.24 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1kpp s PRO 85 CO 0.28 -3.10 0.24 0.42 0.04 0.00 0.00 177.00 174.88 1kpp s ILE 86 N -2.70 4.70 -0.06 0.56 1.09 -1.17 -4.98 121.20 118.63 1kpp s ILE 86 Ca 0.67 -1.26 0.00 0.00 -1.10 0.00 0.00 60.65 58.96 1kpp s ILE 86 Cb -0.22 -3.54 0.02 0.00 -1.06 0.00 0.00 42.46 37.67 1kpp s ILE 86 CO 0.61 -0.33 -0.04 0.00 -0.10 0.00 0.00 174.94 175.07 1kpp s PHE 88 N 1.25 1.33 -0.05 0.00 0.08 -1.04 -2.69 117.98 116.87 1kpp s PHE 88 Ca -0.05 -0.82 0.01 0.00 0.12 0.00 0.00 56.93 56.19 1kpp s PHE 88 Cb -0.14 -0.71 0.02 0.00 -0.57 0.00 0.00 43.02 41.63 1kpp s PHE 88 CO -0.02 0.03 -0.06 0.54 -0.10 0.00 0.00 175.22 175.62 1kpp s VAL 89 N -3.37 0.62 -0.49 -0.44 0.11 -0.08 0.87 120.40 117.62 1kpp s VAL 89 Ca 0.20 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1kpp s VAL 89 Cb 0.04 -0.63 0.17 0.00 -1.53 0.00 0.00 36.38 34.42 1kpp s VAL 89 CO 0.03 0.24 0.38 -0.75 -3.33 0.00 0.00 175.10 171.66 1kpp s LYS 90 N 0.86 1.31 1.02 1.54 2.20 -1.26 -4.61 119.74 120.80 1kpp s LYS 90 Ca -0.12 -2.41 -0.19 0.00 -0.36 0.00 0.00 55.97 52.89 1kpp s LYS 90 Cb -0.15 -1.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.18 1kpp s LYS 90 CO 0.01 -1.35 -0.43 -2.30 -0.36 0.00 0.00 175.35 170.91 1kpp n PRO 91 N 2.66 -0.50 -2.31 4.03 -0.02 -1.26 -4.85 135.00 132.75 1kpp n PRO 91 Ca 0.26 -0.13 -0.25 0.00 -2.02 0.00 0.00 63.50 61.36 1kpp n PRO 91 Cb 0.44 -1.41 0.09 0.00 -0.02 0.00 0.00 33.50 32.59 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 -2.17 2.27 0.66 3.45 -4.23 -1.26 -4.95 115.64 109.41 1kpp s THR 92 Ca 0.48 -0.36 0.42 0.00 -1.18 0.00 0.00 61.69 61.05 1kpp s THR 92 Cb -0.11 -2.91 0.43 0.00 1.34 0.00 0.00 72.50 71.26 1kpp s THR 92 CO 0.71 0.00 2.35 -1.28 -0.54 0.00 0.00 174.62 175.86 1kpp h SER 93 N -0.62 0.00 0.38 3.99 0.87 -1.98 -2.91 113.55 113.28 1kpp h SER 93 Ca -0.42 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1kpp h SER 93 Cb 1.29 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.22 1kpp h SER 93 CO 0.52 0.00 -0.47 0.28 -0.53 0.00 0.00 176.83 176.63 1kpp h SER 94 N 0.00 -1.32 -0.84 6.23 0.02 -2.02 -3.45 113.55 112.18 1kpp h SER 94 Ca 0.00 0.12 -0.66 0.00 -0.84 0.00 0.00 61.79 60.41 1kpp h SER 94 Cb 0.02 0.45 -0.13 0.00 0.14 0.00 0.00 62.40 62.88 1kpp h SER 94 CO -0.00 -0.60 -0.53 0.00 -1.14 0.00 0.00 176.83 174.56 1kpp s MET 95 N -5.89 2.13 0.00 3.45 0.00 -1.10 -5.16 119.30 112.72 1kpp s MET 95 Ca -0.17 -2.33 0.00 0.00 0.00 0.00 0.00 55.69 53.18 1kpp s MET 95 Cb 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 34.83 33.43 1kpp s MET 95 CO 0.61 -0.32 0.00 -2.37 0.00 0.00 0.00 175.02 172.94 1kpp n THR 96 N -1.18 0.00 -3.37 3.16 5.66 -1.13 -4.40 114.28 113.02 1kpp n THR 96 Ca -0.16 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.76 1kpp n THR 96 Cb 0.67 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.37 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 3.39 -0.64 -0.16 1.09 -1.16 -0.71 -4.43 121.20 118.57 1kpp s ILE 97 Ca 0.00 -0.03 -0.08 0.00 -0.51 0.00 0.00 60.65 60.03 1kpp s ILE 97 Cb 0.00 -0.81 -0.04 0.00 0.61 0.00 0.00 42.46 42.22 1kpp s ILE 97 CO 0.00 -0.09 0.10 -1.59 -2.81 0.00 0.00 174.94 170.55 1kpp s LYS 98 N 2.58 3.79 0.05 3.50 -2.85 0.17 -4.74 119.74 122.24 1kpp s LYS 98 Ca 0.12 -0.25 -0.20 0.00 -1.00 0.00 0.00 55.97 54.64 1kpp s LYS 98 Cb -0.15 -3.23 0.07 0.00 -2.06 0.00 0.00 37.83 32.46 1kpp s LYS 98 CO -0.16 0.47 0.92 -2.37 0.10 0.00 0.00 175.35 174.32 1kpp n THR 99 N 2.95 0.00 0.00 3.79 5.66 -1.26 -3.68 114.28 121.73 1kpp n THR 99 Ca -0.18 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 1kpp n THR 99 Cb 0.53 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 1kpp n THR 99 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1kpp n GLY 100 N -0.66 0.29 0.09 1.09 0.00 -1.26 -4.74 105.19 99.99 1kpp n GLY 100 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1kpp n GLY 100 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kpp h LYS 101 N 0.00 0.00 0.00 1.61 3.64 -1.96 -3.43 116.57 116.43 1kpp h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1kpp h LYS 101 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1kpp h LYS 101 CO 0.00 0.51 -0.50 -2.39 -2.27 0.00 0.00 179.45 174.80 1kpp n HIS 102 N -4.53 0.00 0.46 1.91 1.44 -1.26 -4.77 115.22 108.47 1kpp n HIS 102 Ca -0.19 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.65 1kpp n HIS 102 Cb 0.46 0.00 0.39 0.00 0.12 0.00 0.00 29.99 30.96 1kpp n HIS 102 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1kpp h VAL 103 N 0.00 0.00 -2.57 0.61 2.07 -1.88 0.89 116.25 115.36 1kpp h VAL 103 Ca 0.00 -0.56 0.25 0.00 0.82 0.00 0.00 66.70 67.21 1kpp h VAL 103 Cb 0.50 1.51 -0.10 0.00 -1.52 0.00 0.00 31.29 31.69 1kpp h VAL 103 CO 0.00 0.00 -0.59 0.47 0.02 0.00 0.00 177.57 177.47 1kpp n ASP 104 N -2.52 -5.78 0.25 0.57 8.00 -1.18 0.11 116.55 116.00 1kpp n ASP 104 Ca 0.04 0.68 0.16 0.00 0.71 0.00 0.00 54.79 56.38 1kpp n ASP 104 Cb 0.41 -3.62 0.64 0.00 -0.02 0.00 0.00 41.12 38.54 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kpp h ALA 105 N -1.26 1.00 -0.56 2.24 0.00 -1.91 -2.74 119.26 116.04 1kpp h ALA 105 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1kpp h ALA 105 Cb 1.25 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1kpp h ALA 105 CO 0.03 0.00 0.22 0.09 0.00 0.00 0.00 179.25 179.59 1kpp n ASN 106 N -2.95 4.03 -1.77 0.00 4.13 -1.26 -4.88 115.26 112.57 1kpp n ASN 106 Ca 0.01 -2.90 -0.14 0.00 1.68 0.00 0.00 54.58 53.23 1kpp n ASN 106 Cb 0.30 -0.69 -0.04 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 -0.08 0.68 3.68 7.41 0.00 -1.00 -4.79 105.19 111.09 1kpp n GLY 107 Ca 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.83 4.22 -0.47 1.61 1.02 0.31 -0.90 119.74 121.69 1kpp s LYS 108 Ca 0.00 0.36 -0.22 0.00 0.02 0.00 0.00 55.97 56.13 1kpp s LYS 108 Cb 0.00 -3.53 0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1kpp s LYS 108 CO 0.00 -0.05 0.77 0.42 -0.92 0.00 0.00 175.35 175.56 1kpp s ILE 109 N 1.34 4.66 -0.43 2.17 -1.09 -1.09 -3.09 121.20 123.66 1kpp s ILE 109 Ca 0.23 0.24 0.05 0.00 -2.23 0.00 0.00 60.65 58.93 1kpp s ILE 109 Cb -0.15 -4.34 0.59 0.00 -1.58 0.00 0.00 42.46 36.98 1kpp s ILE 109 CO 0.09 -0.78 1.78 -1.22 -1.23 0.00 0.00 174.94 173.59 1kpp n TYR 110 N 6.71 2.54 -1.39 3.97 4.02 0.31 -4.78 117.16 128.53 1kpp n TYR 110 Ca 0.00 -1.96 -0.37 0.00 -0.01 0.00 0.00 57.90 55.57 1kpp n TYR 110 Cb 0.48 -0.87 0.06 0.00 -0.02 0.00 0.00 39.34 38.99 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 -1.10 1.54 0.12 7.72 4.77 -1.26 -4.73 117.00 124.05 1kpp n LEU 111 Ca 0.52 0.67 0.03 0.00 -0.03 0.00 0.00 56.01 57.20 1kpp n LEU 111 Cb 1.34 -1.25 0.40 0.00 -2.33 0.00 0.00 43.42 41.59 1kpp n LEU 111 CO 0.51 -2.80 0.92 -0.65 -1.33 0.00 0.00 177.39 174.04 1kpp h PRO 112 N -0.06 0.25 -0.33 3.23 0.11 -1.98 -2.01 132.00 131.21 1kpp h PRO 112 Ca -0.46 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.66 1kpp h PRO 112 Cb 1.36 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 1kpp h PRO 112 CO 0.45 0.36 0.23 -0.92 -0.21 0.00 0.00 178.00 177.91 1kpp h TYR 113 N 0.24 0.18 0.12 0.65 3.20 -1.90 0.91 116.97 120.37 1kpp h TYR 113 Ca 0.05 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.62 1kpp h TYR 113 Cb 0.33 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1kpp h TYR 113 CO 0.01 0.10 -1.58 1.25 -1.64 0.00 0.00 178.16 176.30 1kpp h LEU 114 N 0.18 0.41 -1.12 2.82 5.85 -1.77 -3.08 115.31 118.61 1kpp h LEU 114 Ca 0.15 -0.87 -0.04 0.00 0.84 0.00 0.00 57.88 57.96 1kpp h LEU 114 Cb 0.35 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1kpp h LEU 114 CO -0.02 1.69 0.13 -0.74 -0.34 0.00 0.00 178.44 179.16 1kpp h HIS 115 N -0.20 0.77 -0.93 1.25 2.76 -0.83 -2.21 115.15 115.76 1kpp h HIS 115 Ca -0.34 -0.06 -0.60 0.00 -2.20 0.00 0.00 60.37 57.18 1kpp h HIS 115 Cb 1.85 -0.23 -0.30 0.00 1.55 0.00 0.00 27.41 30.28 1kpp h HIS 115 CO 0.11 0.64 0.58 0.39 -1.30 0.00 0.00 177.93 178.36 1kpp n GLU 116 N -4.30 2.63 -2.65 5.26 4.71 0.31 -4.96 120.64 121.64 1kpp n GLU 116 Ca 0.04 -3.31 -0.43 0.00 -0.01 0.00 0.00 57.16 53.44 1kpp n GLU 116 Cb 0.21 -2.23 -0.02 0.00 -1.01 0.00 0.00 31.44 28.38 1kpp n GLU 116 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 177.13 176.76 1kpp s TRP 117 N -3.64 3.08 -0.22 -0.32 -0.11 -0.83 -4.90 118.94 111.99 1kpp s TRP 117 Ca 0.60 1.06 -0.03 0.00 1.22 0.00 0.00 56.10 58.95 1kpp s TRP 117 Cb 0.49 -3.83 0.12 0.00 -1.50 0.00 0.00 33.47 28.74 1kpp s TRP 117 CO 0.02 -0.87 0.33 0.15 -4.62 0.00 0.00 176.95 171.96 1kpp s LYS 118 N 3.79 0.29 0.95 5.86 -0.14 -1.26 -5.06 119.74 124.17 1kpp s LYS 118 Ca 0.45 0.48 -0.13 0.00 -1.36 0.00 0.00 55.97 55.41 1kpp s LYS 118 Cb -0.11 -0.62 0.01 0.00 -1.68 0.00 0.00 37.83 35.43 1kpp s LYS 118 CO 0.19 -0.60 0.25 -2.39 -0.76 0.00 0.00 175.35 172.03 1kpp n HIS 119 N 5.35 -1.93 0.64 3.18 1.44 -1.26 -3.70 115.22 118.94 1kpp n HIS 119 Ca -0.05 0.20 0.12 0.00 -2.01 0.00 0.00 57.72 55.99 1kpp n HIS 119 Cb 0.50 -1.74 0.21 0.00 0.12 0.00 0.00 29.99 29.08 1kpp n HIS 119 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1kpp n PRO 120 N -1.09 0.24 -0.04 -1.40 -0.04 -1.26 -4.77 135.00 126.64 1kpp n PRO 120 Ca 0.06 0.08 0.25 0.00 -0.04 0.00 0.00 63.50 63.84 1kpp n PRO 120 Cb 0.54 -1.66 0.70 0.00 -0.04 0.00 0.00 33.50 33.03 1kpp n PRO 120 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1kpp h GLN 121 N 0.00 0.00 -7.24 0.54 3.07 -2.03 -3.41 115.11 106.05 1kpp h GLN 121 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 58.24 1kpp h GLN 121 Cb 0.71 0.00 0.07 0.00 0.08 0.00 0.00 27.48 28.34 1kpp h GLN 121 CO 0.00 0.00 0.37 -1.54 0.09 0.00 0.00 178.83 177.75 1kpp s SER 122 N -5.09 5.66 0.00 0.06 1.04 -1.24 -4.97 113.70 109.16 1kpp s SER 122 Ca -0.04 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.13 1kpp s SER 122 Cb 0.17 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1kpp s SER 122 CO 0.61 -1.25 0.00 -0.90 0.98 0.00 0.00 173.24 172.68 1kpp n ASP 123 N -2.38 0.00 -0.24 7.02 5.75 -1.26 -4.84 116.55 120.59 1kpp n ASP 123 Ca 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.85 1kpp n ASP 123 Cb 0.53 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.72 1kpp n ASP 123 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1kpp h LEU 124 N 0.00 0.58 -0.82 -2.12 5.85 -1.97 0.26 115.31 117.08 1kpp h LEU 124 Ca 0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1kpp h LEU 124 Cb 0.00 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1kpp h LEU 124 CO 0.00 0.37 0.48 -0.07 -0.34 0.00 0.00 178.44 178.88 1kpp h LEU 125 N 0.71 0.69 -0.42 2.25 4.07 -1.95 -1.62 115.31 119.05 1kpp h LEU 125 Ca 0.31 0.04 -0.18 0.00 0.08 0.00 0.00 57.88 58.13 1kpp h LEU 125 Cb 0.19 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1kpp h LEU 125 CO -0.18 0.40 -0.76 1.23 -1.08 0.00 0.00 178.44 178.04 1kpp h GLY 126 N 0.81 0.30 0.88 0.83 0.00 -1.70 -1.69 103.07 102.50 1kpp h GLY 126 Ca 0.39 -0.45 0.09 0.00 0.00 0.00 0.00 47.33 47.36 1kpp h GLY 126 CO -0.24 0.40 0.51 -2.00 0.00 0.00 0.00 176.54 175.22 1kpp h LEU 127 N 0.17 0.67 0.00 3.11 5.85 -0.00 0.05 115.31 125.16 1kpp h LEU 127 Ca -0.03 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1kpp h LEU 127 Cb 1.34 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1kpp h LEU 127 CO 0.12 0.41 -1.29 -0.38 -0.34 0.00 0.00 178.44 176.95 1kpp n ILE 128 N -4.50 1.01 0.06 4.05 -0.00 -0.99 -3.97 119.36 115.02 1kpp n ILE 128 Ca 0.13 -0.65 -0.04 0.00 -0.00 0.00 0.00 62.75 62.19 1kpp n ILE 128 Cb 0.30 -0.61 0.18 0.00 -0.00 0.00 0.00 39.64 39.51 1kpp n ILE 128 CO 0.00 0.00 0.00 -0.61 -0.00 0.00 0.00 176.55 175.94 1kpp h GLN 129 N 0.00 0.33 -0.55 0.38 4.15 -0.25 -2.53 115.11 116.64 1kpp h GLN 129 Ca -0.11 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.11 1kpp h GLN 129 Cb 1.41 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.07 1kpp h GLN 129 CO 0.03 0.70 0.20 -0.24 -1.93 0.00 0.00 178.83 177.59 1kpp h VAL 130 N 0.27 1.23 -0.44 2.39 3.04 -1.17 -2.92 116.25 118.65 1kpp h VAL 130 Ca 0.02 -0.73 -0.05 0.00 -1.01 0.00 0.00 66.70 64.94 1kpp h VAL 130 Cb 0.86 0.66 -0.02 0.00 -2.01 0.00 0.00 31.29 30.79 1kpp h VAL 130 CO 0.07 0.28 0.10 0.24 -1.01 0.00 0.00 177.57 177.24 1kpp h MET 131 N 0.76 0.71 -0.31 4.17 2.86 -1.67 0.49 114.93 121.93 1kpp h MET 131 Ca 0.18 -0.18 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1kpp h MET 131 Cb 0.23 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1kpp h MET 131 CO -0.01 0.72 0.38 0.97 1.06 0.00 0.00 176.91 180.03 1kpp h ILE 132 N 0.58 0.35 0.00 -1.22 2.10 -1.27 0.82 117.51 118.87 1kpp h ILE 132 Ca 0.14 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.83 1kpp h ILE 132 Cb 0.34 0.69 -0.04 0.00 -1.09 0.00 0.00 36.82 36.72 1kpp h ILE 132 CO 0.00 0.00 -1.54 0.52 -1.08 0.00 0.00 178.15 176.05 1kpp n VAL 133 N -3.63 1.51 -0.19 2.19 0.31 -0.94 -2.59 118.33 114.99 1kpp n VAL 133 Ca 0.05 -0.09 0.07 0.00 -0.01 0.00 0.00 64.34 64.36 1kpp n VAL 133 Cb 0.53 -2.08 0.36 0.00 -0.91 0.00 0.00 33.84 31.74 1kpp n VAL 133 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1kpp h VAL 134 N -1.00 1.00 0.00 2.52 2.07 -0.49 -0.19 116.25 120.16 1kpp h VAL 134 Ca -0.37 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 1kpp h VAL 134 Cb 1.25 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1kpp h VAL 134 CO -0.23 0.14 -0.88 -0.26 0.02 0.00 0.00 177.57 176.36 1kpp h PHE 135 N 0.74 0.00 0.00 1.57 -1.00 0.46 -3.21 116.94 115.50 1kpp h PHE 135 Ca 0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.11 1kpp h PHE 135 Cb 0.32 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.88 1kpp h PHE 135 CO -0.00 0.61 0.00 0.78 -1.61 0.00 0.00 178.31 178.09 1kpp h GLY 136 N 3.49 0.00 0.36 -1.45 0.00 -0.78 -2.11 103.07 102.58 1kpp h GLY 136 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.91 1kpp h GLY 136 CO 0.07 0.00 -2.18 1.22 0.00 0.00 0.00 176.54 175.65 1kpp n ASP 137 N -2.31 1.42 -3.16 0.19 9.92 -0.87 -4.40 116.55 117.35 1kpp n ASP 137 Ca 0.02 0.09 -0.10 0.00 -0.53 0.00 0.00 54.79 54.27 1kpp n ASP 137 Cb 0.24 -0.19 -0.04 0.00 -0.64 0.00 0.00 41.12 40.49 1kpp n ASP 137 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1kpp s GLU 138 N -2.54 0.85 -0.37 -1.24 4.04 -1.14 -5.05 118.70 113.24 1kpp s GLU 138 Ca -0.21 -0.95 -0.38 0.00 0.04 0.00 0.00 54.97 53.48 1kpp s GLU 138 Cb 0.07 -0.42 -0.13 0.00 0.02 0.00 0.00 34.13 33.67 1kpp s GLU 138 CO 0.74 -1.26 2.13 -2.30 -1.84 0.00 0.00 175.26 172.73 1kpp n PRO 139 N 3.71 0.87 -1.18 -4.83 -0.02 -0.80 -4.69 135.00 128.06 1kpp n PRO 139 Ca 0.16 0.25 -0.17 0.00 -2.02 0.00 0.00 63.50 61.71 1kpp n PRO 139 Cb 0.52 -2.23 -0.13 0.00 -0.02 0.00 0.00 33.50 31.64 1kpp n PRO 139 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1kpp n PRO 140 N 7.76 2.15 0.00 0.52 -0.04 -1.26 -3.89 135.00 140.24 1kpp n PRO 140 Ca 0.42 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1kpp n PRO 140 Cb 0.16 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 1.91 0.00 0.00 0.52 0.31 -1.24 -2.71 118.33 117.12 1kpp n VAL 141 Ca 0.45 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1kpp n VAL 141 Cb 0.79 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 34.78 1kpp n VAL 141 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1kpp n PHE 142 N -0.57 -0.08 0.00 3.52 7.35 -1.25 -2.30 117.46 124.13 1kpp n PHE 142 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1kpp n PHE 142 Cb 0.02 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.85 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 0.00 0.00 -2.57 -2.13 3.41 -1.26 0.41 113.62 111.48 1kpp n SER 143 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1kpp n SER 143 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.00 -1.31 0.00 4.33 3.00 -1.26 -2.38 116.66 119.03 1kpp n ARG 144 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 57.85 58.48 1kpp n ARG 144 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 32.46 28.26 1kpp n ARG 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33