#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 0.47 -1.25 0.00 3.14 -1.26 -5.13 118.33 114.30 1kpp n VAL 3 Ca 0.00 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 1kpp n VAL 3 Cb 0.00 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.36 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 -2.21 -6.91 0.18 6.55 2.88 -1.26 -3.64 113.62 109.21 1kpp n SER 4 Ca -0.12 1.12 0.07 0.00 -1.33 0.00 0.00 58.87 58.61 1kpp n SER 4 Cb 0.65 -3.64 0.57 0.00 -0.75 0.00 0.00 64.21 61.04 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 0.98 0.16 -0.88 -1.46 4.39 -2.00 -1.63 114.58 114.14 1kpp h GLU 5 Ca 0.00 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.74 1kpp h GLU 5 Cb 0.21 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 1kpp h GLU 5 CO 0.00 0.11 0.58 1.03 -1.16 0.00 0.00 179.01 179.57 1kpp h SER 6 N 0.17 0.92 0.01 1.42 0.87 -2.01 -0.63 113.55 114.30 1kpp h SER 6 Ca 0.04 -0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.39 1kpp h SER 6 Cb -0.01 -0.20 0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1kpp h SER 6 CO -0.01 0.62 -0.83 -0.61 -0.53 0.00 0.00 176.83 175.47 1kpp h GLN 7 N 1.06 0.54 -0.96 2.24 5.75 -1.37 -3.25 115.11 119.12 1kpp h GLN 7 Ca 0.36 -0.60 0.03 0.00 -0.15 0.00 0.00 58.65 58.29 1kpp h GLN 7 Cb 0.10 0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 1kpp h GLN 7 CO -0.12 1.22 0.63 1.25 -2.65 0.00 0.00 178.83 179.16 1kpp h LEU 8 N 0.12 1.06 0.42 -2.39 5.85 -1.06 -1.46 115.31 117.86 1kpp h LEU 8 Ca -0.11 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1kpp h LEU 8 Cb 1.52 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1kpp h LEU 8 CO 0.16 0.74 -0.39 0.50 -0.34 0.00 0.00 178.44 179.12 1kpp h LYS 9 N 1.24 -0.77 -0.08 1.25 1.63 -1.19 -0.31 116.57 118.34 1kpp h LYS 9 Ca 0.37 0.05 0.02 0.00 -0.85 0.00 0.00 60.65 60.25 1kpp h LYS 9 Cb -0.05 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1kpp h LYS 9 CO -0.11 -0.51 0.11 1.57 -3.45 0.00 0.00 179.45 177.05 1kpp h LYS 10 N -0.80 0.00 -0.13 1.90 2.10 -1.56 -1.13 116.57 116.95 1kpp h LYS 10 Ca -0.05 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.52 1kpp h LYS 10 Cb 0.68 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1kpp h LYS 10 CO -0.03 0.00 -0.20 0.52 -2.00 0.00 0.00 179.45 177.74 1kpp h MET 11 N 0.00 0.36 -0.66 0.07 2.86 -0.38 -3.13 114.93 114.05 1kpp h MET 11 Ca 0.04 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1kpp h MET 11 Cb 0.25 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1kpp h MET 11 CO -0.00 0.80 0.00 1.33 1.06 0.00 0.00 176.91 180.10 1kpp n VAL 12 N -4.50 1.62 0.15 -2.22 0.24 -0.21 -4.16 118.33 109.24 1kpp n VAL 12 Ca -0.07 -0.90 0.01 0.00 -2.04 0.00 0.00 64.34 61.34 1kpp n VAL 12 Cb 0.41 -0.18 0.21 0.00 -1.47 0.00 0.00 33.84 32.81 1kpp n VAL 12 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1kpp h SER 13 N 2.83 0.00 0.26 -1.34 0.87 -1.18 -2.95 113.55 112.04 1kpp h SER 13 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1kpp h SER 13 Cb 1.33 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1kpp h SER 13 CO 0.26 0.56 -0.14 0.50 -0.53 0.00 0.00 176.83 177.48 1kpp h LYS 14 N 0.00 0.00 -6.41 2.24 3.64 -1.78 -3.44 116.57 110.82 1kpp h LYS 14 Ca -0.01 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.75 1kpp h LYS 14 Cb 1.06 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1kpp h LYS 14 CO 0.07 0.14 0.60 0.66 -2.27 0.00 0.00 179.45 178.65 1kpp n TYR 15 N -3.93 1.89 0.19 1.91 4.02 -1.11 -4.91 117.16 115.22 1kpp n TYR 15 Ca -0.02 0.46 -0.10 0.00 -0.01 0.00 0.00 57.90 58.23 1kpp n TYR 15 Cb 0.23 -2.43 -0.05 0.00 -0.02 0.00 0.00 39.34 37.07 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 4.99 -0.57 0.86 -0.72 3.64 -1.85 -3.27 116.57 119.65 1kpp h LYS 16 Ca -0.46 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.92 1kpp h LYS 16 Cb 1.29 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 33.25 1kpp h LYS 16 CO 0.82 -0.38 -0.41 1.88 -2.27 0.00 0.00 179.45 179.08 1kpp h TYR 17 N -0.59 -1.07 0.00 1.91 -1.99 -1.91 -3.45 116.97 109.88 1kpp h TYR 17 Ca -0.05 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1kpp h TYR 17 Cb 0.49 0.35 0.00 0.00 2.00 0.00 0.00 36.73 39.57 1kpp h TYR 17 CO -0.09 -0.66 0.00 -2.13 -0.00 0.00 0.00 178.16 175.28 1kpp n ARG 18 N -5.58 0.00 -0.21 4.88 0.63 -1.24 -4.13 116.66 111.01 1kpp n ARG 18 Ca -0.15 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.80 1kpp n ARG 18 Cb 0.46 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.49 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 -0.11 -0.00 6.15 3.32 -1.91 0.89 116.42 124.76 1kpp h ASP 19 Ca 0.00 0.14 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 1kpp h ASP 19 Cb 0.00 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1kpp h ASP 19 CO 0.00 -0.05 -0.53 -0.07 -1.72 0.00 0.00 179.24 176.87 1kpp h LEU 20 N 0.20 0.64 -0.69 1.55 3.38 -1.98 0.38 115.31 118.79 1kpp h LEU 20 Ca 0.34 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1kpp h LEU 20 Cb 0.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1kpp h LEU 20 CO -0.48 1.05 -0.47 0.74 0.09 0.00 0.00 178.44 179.37 1kpp h THR 21 N 0.45 1.32 0.00 0.22 2.02 -1.37 0.13 112.91 115.68 1kpp h THR 21 Ca 0.01 -1.67 -0.22 0.00 0.77 0.00 0.00 66.41 65.30 1kpp h THR 21 Cb 1.07 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 69.14 1kpp h THR 21 CO 0.10 0.51 -1.37 0.58 0.37 0.00 0.00 175.52 175.71 1kpp h VAL 22 N 0.36 0.86 0.12 3.16 2.07 0.80 -3.16 116.25 120.45 1kpp h VAL 22 Ca 0.02 -2.51 -0.16 0.00 0.82 0.00 0.00 66.70 64.87 1kpp h VAL 22 Cb 0.96 2.35 0.02 0.00 -1.52 0.00 0.00 31.29 33.09 1kpp h VAL 22 CO 0.08 0.49 -0.69 -0.09 0.02 0.00 0.00 177.57 177.38 1kpp h ARG 23 N 0.00 0.25 -0.61 1.57 1.12 -0.19 -2.96 114.38 113.56 1kpp h ARG 23 Ca -0.17 -0.43 -0.05 0.00 -1.11 0.00 0.00 59.98 58.22 1kpp h ARG 23 Cb 1.76 0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 31.85 1kpp h ARG 23 CO 0.07 1.20 0.19 0.93 -3.11 0.00 0.00 179.97 179.26 1kpp h GLU 24 N -0.48 0.93 0.72 0.20 5.08 -0.90 -2.52 114.58 117.61 1kpp h GLU 24 Ca -0.12 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1kpp h GLU 24 Cb 1.54 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.65 1kpp h GLU 24 CO 0.13 0.80 -0.35 1.15 -1.00 0.00 0.00 179.01 179.74 1kpp h THR 25 N 0.90 0.10 -0.74 1.13 2.02 -1.66 -2.76 112.91 111.91 1kpp h THR 25 Ca 0.20 -0.25 0.17 0.00 0.77 0.00 0.00 66.41 67.29 1kpp h THR 25 Cb 0.26 0.13 -0.13 0.00 -1.74 0.00 0.00 68.15 66.68 1kpp h THR 25 CO -0.01 0.01 0.01 1.62 0.37 0.00 0.00 175.52 177.53 1kpp h VAL 26 N -1.19 0.37 -0.07 3.16 3.04 -1.49 0.72 116.25 120.78 1kpp h VAL 26 Ca -0.10 -0.04 0.02 0.00 -1.01 0.00 0.00 66.70 65.57 1kpp h VAL 26 Cb 0.76 0.25 -0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1kpp h VAL 26 CO 0.16 0.02 0.06 0.78 -1.01 0.00 0.00 177.57 177.59 1kpp h ASN 27 N 0.11 0.00 1.03 3.17 2.35 -1.44 0.17 115.58 120.97 1kpp h ASN 27 Ca 0.40 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.00 1kpp h ASN 27 Cb 0.70 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 1kpp h ASN 27 CO -0.64 0.00 -1.03 0.58 -1.65 0.00 0.00 177.43 174.69 1kpp h VAL 28 N 0.00 0.75 0.00 2.81 2.07 0.67 -3.22 116.25 119.32 1kpp h VAL 28 Ca 0.03 -2.21 -0.22 0.00 0.82 0.00 0.00 66.70 65.12 1kpp h VAL 28 Cb 0.16 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1kpp h VAL 28 CO -0.00 0.42 -1.31 0.40 0.02 0.00 0.00 177.57 177.10 1kpp h ILE 29 N 0.00 1.03 -0.24 4.57 2.04 0.32 -2.76 117.51 122.48 1kpp h ILE 29 Ca -0.09 -2.72 -0.11 0.00 1.00 0.00 0.00 64.86 62.94 1kpp h ILE 29 Cb 1.53 2.47 -0.00 0.00 -0.74 0.00 0.00 36.82 40.08 1kpp h ILE 29 CO 0.06 0.59 -0.26 0.74 0.00 0.00 0.00 178.15 179.28 1kpp h THR 30 N 0.00 1.32 0.01 -0.27 2.02 -0.84 -3.20 112.91 111.95 1kpp h THR 30 Ca -0.15 -1.44 -0.20 0.00 0.77 0.00 0.00 66.41 65.40 1kpp h THR 30 Cb 1.79 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 69.88 1kpp h THR 30 CO 0.09 0.45 -0.90 0.25 0.37 0.00 0.00 175.52 175.77 1kpp h LEU 31 N 0.31 0.15 -8.20 2.58 5.85 -1.69 -3.42 115.31 110.88 1kpp h LEU 31 Ca 0.04 -0.13 -0.67 0.00 0.84 0.00 0.00 57.88 57.96 1kpp h LEU 31 Cb 0.83 -0.05 -0.31 0.00 0.37 0.00 0.00 40.66 41.50 1kpp h LEU 31 CO 0.06 0.97 -0.74 -0.31 -0.34 0.00 0.00 178.44 178.09 1kpp s TYR 32 N -3.07 3.04 -1.09 1.25 1.51 -1.04 -4.97 117.35 112.99 1kpp s TYR 32 Ca -0.01 -1.42 0.28 0.00 -1.01 0.00 0.00 57.07 54.91 1kpp s TYR 32 Cb 0.10 -2.07 0.98 0.00 -0.11 0.00 0.00 41.96 40.85 1kpp s TYR 32 CO 0.82 -0.69 1.74 1.63 -1.11 0.00 0.00 175.55 177.93 1kpp n LYS 33 N 4.70 0.10 -0.93 -0.62 5.02 -1.26 -3.57 118.16 121.61 1kpp n LYS 33 Ca -0.17 -0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 56.02 1kpp n LYS 33 Cb 0.48 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.24 1kpp n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1kpp n ASP 34 N -1.42 4.40 -4.38 4.39 8.00 -1.26 -4.91 116.55 121.36 1kpp n ASP 34 Ca 0.08 -3.10 -0.31 0.00 0.71 0.00 0.00 54.79 52.16 1kpp n ASP 34 Cb 0.33 -0.73 -0.15 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.63 2.32 -0.03 0.64 2.01 -1.23 -0.07 118.68 119.69 1kpp s LEU 35 Ca 0.48 -0.42 -0.01 0.00 0.01 0.00 0.00 54.13 54.20 1kpp s LEU 35 Cb 0.39 -1.41 0.03 0.00 0.01 0.00 0.00 46.19 45.21 1kpp s LEU 35 CO 0.12 0.31 0.04 -0.75 1.01 0.00 0.00 176.35 177.07 1kpp s LYS 36 N -0.88 -0.05 0.66 1.70 2.20 0.17 -4.95 119.74 118.58 1kpp s LYS 36 Ca 0.11 0.26 -0.15 0.00 -0.36 0.00 0.00 55.97 55.84 1kpp s LYS 36 Cb -0.10 -0.35 -0.00 0.00 -1.51 0.00 0.00 37.83 35.87 1kpp s LYS 36 CO 0.01 -0.23 1.10 -1.25 -0.36 0.00 0.00 175.35 174.62 1kpp s PRO 37 N 1.49 2.84 0.15 4.03 0.04 -1.26 -1.73 135.00 140.55 1kpp s PRO 37 Ca -0.04 1.35 -0.13 0.00 0.04 0.00 0.00 61.00 62.22 1kpp s PRO 37 Cb -0.13 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1kpp s PRO 37 CO -0.03 -1.21 0.36 0.08 0.04 0.00 0.00 177.00 176.23 1kpp s VAL 38 N -2.40 0.07 -0.07 -0.36 1.01 0.10 -4.87 120.40 113.89 1kpp s VAL 38 Ca 0.66 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1kpp s VAL 38 Cb -0.20 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.72 1kpp s VAL 38 CO 0.42 -0.33 0.01 -0.22 0.00 0.00 0.00 175.10 174.99 1kpp s LEU 39 N -2.88 0.49 0.18 3.92 1.98 -1.26 -0.87 118.68 120.24 1kpp s LEU 39 Ca 0.09 -0.06 0.04 0.00 -2.89 0.00 0.00 54.13 51.32 1kpp s LEU 39 Cb 0.02 -0.38 -0.05 0.00 0.66 0.00 0.00 46.19 46.45 1kpp s LEU 39 CO -0.06 -0.21 -0.07 -0.62 -1.89 0.00 0.00 176.35 173.50 1kpp s ASP 40 N 2.01 1.88 -0.14 3.68 2.15 0.28 -4.97 116.67 121.57 1kpp s ASP 40 Ca 0.05 -1.09 -0.06 0.00 0.43 0.00 0.00 52.55 51.89 1kpp s ASP 40 Cb -0.12 -0.02 -0.04 0.00 -0.30 0.00 0.00 42.92 42.44 1kpp s ASP 40 CO -0.05 -0.38 0.06 -0.55 -0.17 0.00 0.00 175.17 174.09 1kpp s SER 41 N -3.23 5.72 -0.33 -0.34 0.15 -1.26 0.11 113.70 114.51 1kpp s SER 41 Ca 0.21 0.21 -0.07 0.00 0.70 0.00 0.00 55.95 57.00 1kpp s SER 41 Cb 0.03 -1.84 0.03 0.00 -1.71 0.00 0.00 66.02 62.53 1kpp s SER 41 CO 0.04 0.30 0.11 -0.47 1.20 0.00 0.00 173.24 174.42 1kpp s TYR 42 N -0.40 3.23 0.39 3.44 5.04 -0.53 -4.90 117.35 123.61 1kpp s TYR 42 Ca 0.09 -1.27 -0.26 0.00 -2.44 0.00 0.00 57.07 53.19 1kpp s TYR 42 Cb -0.12 -2.29 -0.09 0.00 0.35 0.00 0.00 41.96 39.82 1kpp s TYR 42 CO 0.02 -0.69 1.19 0.14 -1.34 0.00 0.00 175.55 174.87 1kpp s VAL 43 N 1.44 3.07 -1.18 3.14 -7.23 -1.26 -2.51 120.40 115.88 1kpp s VAL 43 Ca -0.00 0.93 -0.11 0.00 -1.81 0.00 0.00 61.98 60.99 1kpp s VAL 43 Cb -0.19 -3.53 0.22 0.00 0.56 0.00 0.00 36.38 33.44 1kpp s VAL 43 CO 0.03 0.11 1.37 0.49 -0.31 0.00 0.00 175.10 176.79 1kpp n PHE 44 N 0.20 4.73 -4.18 2.82 3.72 0.20 -4.62 117.46 120.33 1kpp n PHE 44 Ca 0.04 -3.46 -0.34 0.00 -0.05 0.00 0.00 57.45 53.64 1kpp n PHE 44 Cb 0.46 -1.93 -0.03 0.00 -0.94 0.00 0.00 39.48 37.03 1kpp n PHE 44 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1kpp n ASN 45 N 4.12 -2.20 -1.31 4.37 0.23 -1.26 0.13 115.26 119.35 1kpp n ASN 45 Ca 0.32 -1.04 -0.15 0.00 -0.53 0.00 0.00 54.58 53.18 1kpp n ASN 45 Cb 0.40 -2.70 -0.05 0.00 -2.08 0.00 0.00 39.78 35.36 1kpp n ASN 45 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1kpp n ASP 46 N -2.75 -4.74 -0.00 0.53 9.92 -1.26 -4.84 116.55 113.41 1kpp n ASP 46 Ca -0.05 0.27 0.02 0.00 -0.53 0.00 0.00 54.79 54.50 1kpp n ASP 46 Cb 0.55 -3.65 -0.03 0.00 -0.64 0.00 0.00 41.12 37.35 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 -1.10 0.26 0.00 0.44 0.00 0.34 -5.10 105.19 100.03 1kpp n GLY 47 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.32 0.00 -3.71 1.61 2.88 -1.20 -4.90 113.62 106.98 1kpp n SER 48 Ca 0.00 -0.60 -0.09 0.00 -1.33 0.00 0.00 58.87 56.85 1kpp n SER 48 Cb 0.09 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.21 -0.34 -0.14 -3.46 0.01 -1.26 0.61 113.70 109.32 1kpp s SER 49 Ca 0.00 -0.41 -0.24 0.00 1.31 0.00 0.00 55.95 56.60 1kpp s SER 49 Cb 0.00 0.65 0.06 0.00 0.21 0.00 0.00 66.02 66.94 1kpp s SER 49 CO 0.00 -1.16 0.61 0.00 0.41 0.00 0.00 173.24 173.10 1kpp s ARG 50 N -3.86 0.84 -0.30 12.44 1.70 -1.04 -4.92 118.95 123.81 1kpp s ARG 50 Ca 0.08 0.52 -0.29 0.00 -0.47 0.00 0.00 55.73 55.57 1kpp s ARG 50 Cb -0.03 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.73 1kpp s ARG 50 CO -0.01 -0.19 1.65 -2.00 -1.08 0.00 0.00 175.30 173.67 1kpp s GLU 51 N -0.42 3.58 -0.12 3.89 2.12 -1.26 -1.45 118.70 125.03 1kpp s GLU 51 Ca -0.06 1.43 0.02 0.00 0.36 0.00 0.00 54.97 56.73 1kpp s GLU 51 Cb -0.03 -4.10 -0.00 0.00 0.26 0.00 0.00 34.13 30.26 1kpp s GLU 51 CO 0.05 -1.56 -0.20 -1.17 -0.54 0.00 0.00 175.26 171.84 1kpp s LEU 52 N 5.90 2.31 0.13 2.70 2.96 0.30 -4.93 118.68 128.05 1kpp s LEU 52 Ca 0.73 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1kpp s LEU 52 Cb -0.22 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1kpp s LEU 52 CO 0.32 0.14 0.35 -0.32 -1.32 0.00 0.00 176.35 175.52 1kpp s MET 53 N 0.45 3.58 -0.00 1.98 -2.45 -1.26 0.98 119.30 122.58 1kpp s MET 53 Ca -0.14 -0.17 -0.08 0.00 -1.25 0.00 0.00 55.69 54.05 1kpp s MET 53 Cb -0.17 -2.88 0.00 0.00 1.25 0.00 0.00 34.83 33.04 1kpp s MET 53 CO 0.06 0.49 0.16 0.54 1.05 0.00 0.00 175.02 177.31 1kpp s ASN 54 N -2.50 -0.01 -0.29 1.11 2.20 -0.05 -2.93 114.94 112.47 1kpp s ASN 54 Ca 0.40 -0.14 -0.03 0.00 -0.94 0.00 0.00 52.86 52.15 1kpp s ASN 54 Cb -0.12 0.23 0.04 0.00 -2.00 0.00 0.00 41.25 39.39 1kpp s ASN 54 CO 0.26 -0.36 0.00 -0.76 -2.94 0.00 0.00 177.10 173.30 1kpp s LEU 55 N -1.28 3.70 -0.12 3.54 1.43 -0.74 0.01 118.68 125.23 1kpp s LEU 55 Ca -0.14 -1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 51.88 1kpp s LEU 55 Cb -0.07 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1kpp s LEU 55 CO 0.02 -0.22 -0.04 -0.89 0.23 0.00 0.00 176.35 175.45 1kpp s THR 56 N 1.32 3.93 0.00 5.49 2.01 -0.71 0.29 115.64 127.97 1kpp s THR 56 Ca -0.02 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1kpp s THR 56 Cb -0.18 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1kpp s THR 56 CO -0.01 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 1kpp n GLY 57 N 2.87 2.42 3.22 4.40 0.00 -0.45 0.43 105.19 118.09 1kpp n GLY 57 Ca -0.18 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 1kpp n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kpp s THR 58 N -2.06 0.12 -0.03 2.61 2.01 0.90 -0.60 115.64 118.60 1kpp s THR 58 Ca 0.00 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.07 1kpp s THR 58 Cb 0.00 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 1kpp s THR 58 CO 0.00 -0.53 -0.11 0.27 -0.69 0.00 0.00 174.62 173.56 1kpp s ILE 59 N -3.37 0.93 -1.28 1.82 -0.00 -1.13 -4.60 121.20 113.57 1kpp s ILE 59 Ca 0.01 -0.45 -0.19 0.00 -0.00 0.00 0.00 60.65 60.02 1kpp s ILE 59 Cb 0.02 -0.81 0.05 0.00 -0.00 0.00 0.00 42.46 41.72 1kpp s ILE 59 CO -0.08 0.28 1.75 -2.16 -0.00 0.00 0.00 174.94 174.73 1kpp s PRO 60 N 0.08 3.80 0.03 0.37 0.04 -1.25 -2.19 135.00 135.88 1kpp s PRO 60 Ca -0.02 -1.87 -0.02 0.00 0.04 0.00 0.00 61.00 59.13 1kpp s PRO 60 Cb -0.08 -5.50 -0.04 0.00 0.04 0.00 0.00 34.50 28.92 1kpp s PRO 60 CO 0.01 -2.47 0.21 0.14 0.04 0.00 0.00 177.00 174.93 1kpp s VAL 61 N 5.07 5.39 0.08 -0.36 -7.23 0.13 -4.66 120.40 118.82 1kpp s VAL 61 Ca 0.55 -0.25 -0.31 0.00 -1.81 0.00 0.00 61.98 60.17 1kpp s VAL 61 Cb 0.03 -3.59 -0.07 0.00 0.56 0.00 0.00 36.38 33.31 1kpp s VAL 61 CO 0.08 0.22 1.40 -2.16 -0.31 0.00 0.00 175.10 174.33 1kpp s PRO 62 N -2.25 4.31 -0.22 4.82 0.04 -1.26 0.65 135.00 141.08 1kpp s PRO 62 Ca 0.32 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 1kpp s PRO 62 Cb -0.13 -3.37 0.07 0.00 0.04 0.00 0.00 34.50 31.11 1kpp s PRO 62 CO 0.24 -0.49 0.02 -0.47 0.04 0.00 0.00 177.00 176.34 1kpp s TYR 63 N 1.57 1.54 0.00 0.56 6.14 0.23 -4.45 117.35 122.95 1kpp s TYR 63 Ca 0.65 -1.26 0.00 0.00 0.64 0.00 0.00 57.07 57.09 1kpp s TYR 63 Cb -0.35 -1.30 0.00 0.00 0.42 0.00 0.00 41.96 40.73 1kpp s TYR 63 CO 0.29 -0.70 0.00 0.54 0.64 0.00 0.00 175.55 176.32 1kpp n ARG 64 N 4.90 0.00 0.00 4.97 1.74 -1.26 -3.31 116.66 123.71 1kpp n ARG 64 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1kpp n ARG 64 Cb 0.45 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1kpp n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kpp n GLY 65 N -2.00 0.96 3.67 -0.13 0.00 -1.26 -5.14 105.19 101.29 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 -0.18 3.95 0.59 1.61 -0.87 -1.21 -5.05 114.94 113.77 1kpp s ASN 66 Ca 0.00 -1.47 -0.19 0.00 -1.57 0.00 0.00 52.86 49.63 1kpp s ASN 66 Cb 0.00 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.25 41.12 1kpp s ASN 66 CO 0.00 -0.59 1.20 -0.89 -2.57 0.00 0.00 177.10 174.25 1kpp s THR 67 N -2.78 2.67 -0.03 1.60 2.01 -1.26 0.77 115.64 118.63 1kpp s THR 67 Ca 0.25 0.42 -0.16 0.00 0.31 0.00 0.00 61.69 62.51 1kpp s THR 67 Cb 0.07 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.44 1kpp s THR 67 CO 0.13 -0.09 0.34 -0.47 -0.69 0.00 0.00 174.62 173.84 1kpp s TYR 68 N -1.61 -0.24 -0.33 4.92 5.04 0.21 -4.62 117.35 120.72 1kpp s TYR 68 Ca 0.77 0.40 -0.10 0.00 -2.44 0.00 0.00 57.07 55.69 1kpp s TYR 68 Cb -0.30 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.14 1kpp s TYR 68 CO 0.32 -0.38 0.18 -0.80 -1.34 0.00 0.00 175.55 173.53 1kpp s ASN 69 N -1.15 5.67 -0.40 4.32 0.01 -1.26 0.17 114.94 122.30 1kpp s ASN 69 Ca -0.12 -0.65 -0.08 0.00 -0.71 0.00 0.00 52.86 51.30 1kpp s ASN 69 Cb -0.05 -2.03 0.08 0.00 0.41 0.00 0.00 41.25 39.66 1kpp s ASN 69 CO 0.04 -0.26 0.22 -0.63 -1.51 0.00 0.00 177.10 174.97 1kpp s ILE 70 N 1.61 3.99 0.33 0.60 -1.09 -0.93 -4.89 121.20 120.82 1kpp s ILE 70 Ca 0.04 -1.47 -0.28 0.00 -2.23 0.00 0.00 60.65 56.71 1kpp s ILE 70 Cb -0.18 -3.46 -0.10 0.00 -1.58 0.00 0.00 42.46 37.15 1kpp s ILE 70 CO 0.07 -0.48 1.28 -2.16 -1.23 0.00 0.00 174.94 172.42 1kpp s PRO 71 N 1.37 4.35 0.28 2.79 0.04 -1.26 -2.86 135.00 139.71 1kpp s PRO 71 Ca 0.03 2.17 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 1kpp s PRO 71 Cb -0.22 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1kpp s PRO 71 CO 0.01 -0.18 0.43 0.96 0.04 0.00 0.00 177.00 178.27 1kpp s ILE 72 N -1.16 0.00 0.29 0.56 -4.36 0.23 -2.84 121.20 113.92 1kpp s ILE 72 Ca 0.49 -1.56 0.02 0.00 -0.26 0.00 0.00 60.65 59.35 1kpp s ILE 72 Cb -0.39 -2.43 -0.05 0.00 1.25 0.00 0.00 42.46 40.84 1kpp s ILE 72 CO 0.51 0.00 0.09 0.00 0.24 0.00 0.00 174.94 175.78 1kpp s LEU 74 N -3.38 2.12 0.06 0.00 0.20 0.15 -3.46 118.68 114.37 1kpp s LEU 74 Ca 0.37 -0.27 0.08 0.00 0.69 0.00 0.00 54.13 55.00 1kpp s LEU 74 Cb 0.08 -0.00 -0.03 0.00 -0.43 0.00 0.00 46.19 45.81 1kpp s LEU 74 CO 0.14 -0.13 -0.22 0.26 -0.29 0.00 0.00 176.35 176.11 1kpp s TRP 75 N -0.74 1.96 0.35 5.38 0.23 0.24 -1.79 118.94 124.57 1kpp s TRP 75 Ca -0.07 -0.39 0.04 0.00 -2.03 0.00 0.00 56.10 53.65 1kpp s TRP 75 Cb -0.05 -1.15 -0.06 0.00 0.03 0.00 0.00 33.47 32.24 1kpp s TRP 75 CO -0.00 0.13 0.06 -0.51 0.96 0.00 0.00 176.95 177.59 1kpp s LEU 76 N -1.34 2.22 0.16 2.99 2.01 -1.15 -2.04 118.68 121.53 1kpp s LEU 76 Ca 0.09 -1.42 0.03 0.00 0.01 0.00 0.00 54.13 52.83 1kpp s LEU 76 Cb -0.09 -0.41 -0.05 0.00 0.01 0.00 0.00 46.19 45.65 1kpp s LEU 76 CO 0.02 -0.64 -0.04 -1.48 1.01 0.00 0.00 176.35 175.22 1kpp s LEU 77 N -3.54 2.31 -0.17 1.79 -0.00 -1.26 -4.75 118.68 113.06 1kpp s LEU 77 Ca 0.34 -1.10 0.14 0.00 -0.00 0.00 0.00 54.13 53.50 1kpp s LEU 77 Cb 0.08 -0.16 -0.21 0.00 -0.00 0.00 0.00 46.19 45.90 1kpp s LEU 77 CO 0.15 -0.48 0.04 0.47 -0.00 0.00 0.00 176.35 176.53 1kpp n ASP 78 N -0.21 0.88 0.00 1.48 9.92 -1.26 -4.78 116.55 122.57 1kpp n ASP 78 Ca -0.08 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 1kpp n ASP 78 Cb 0.62 0.81 0.00 0.00 -0.64 0.00 0.00 41.12 41.91 1kpp n ASP 78 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1kpp n THR 79 N -2.68 0.00 -3.87 -3.53 -1.04 -1.26 -3.66 114.28 98.24 1kpp n THR 79 Ca -0.29 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.42 1kpp n THR 79 Cb 1.05 -0.02 -0.16 0.00 -1.82 0.00 0.00 70.33 69.38 1kpp n THR 79 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1kpp s TYR 80 N -1.17 2.17 1.09 -1.42 2.02 -1.26 -0.71 117.35 118.08 1kpp s TYR 80 Ca 0.00 -1.75 -0.12 0.00 -0.37 0.00 0.00 57.07 54.83 1kpp s TYR 80 Cb 0.00 -1.67 0.24 0.00 -0.40 0.00 0.00 41.96 40.13 1kpp s TYR 80 CO 0.00 -0.79 1.06 -2.14 -1.57 0.00 0.00 175.55 172.10 1kpp s PRO 81 N 1.46 -0.36 -0.32 -1.71 0.02 -1.26 -4.94 135.00 127.89 1kpp s PRO 81 Ca 0.00 0.88 0.10 0.00 0.02 0.00 0.00 61.00 62.00 1kpp s PRO 81 Cb -0.18 -1.62 0.64 0.00 0.02 0.00 0.00 34.50 33.37 1kpp s PRO 81 CO -0.11 -3.36 1.69 2.48 -0.33 0.00 0.00 177.00 177.37 1kpp n TYR 82 N -4.67 2.03 0.00 6.54 0.18 0.11 -4.28 117.16 117.08 1kpp n TYR 82 Ca 0.05 -1.38 0.00 0.00 1.88 0.00 0.00 57.90 58.45 1kpp n TYR 82 Cb 0.54 -0.64 0.00 0.00 -0.38 0.00 0.00 39.34 38.86 1kpp n TYR 82 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1kpp n ASN 83 N -0.63 0.00 -4.60 9.48 2.85 -1.26 -4.99 115.26 116.10 1kpp n ASN 83 Ca 0.40 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.44 1kpp n ASN 83 Cb 1.29 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 42.28 1kpp n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1kpp s PRO 84 N 0.00 3.13 0.27 1.20 0.04 -1.26 -4.92 135.00 133.47 1kpp s PRO 84 Ca 0.00 1.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.72 1kpp s PRO 84 Cb 0.00 -4.36 -0.09 0.00 0.04 0.00 0.00 34.50 30.09 1kpp s PRO 84 CO 0.00 -2.11 0.88 -1.25 0.04 0.00 0.00 177.00 174.57 1kpp s PRO 85 N 6.31 4.56 0.56 0.56 0.04 -1.26 -4.68 135.00 141.08 1kpp s PRO 85 Ca 0.98 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 63.19 1kpp s PRO 85 Cb -0.31 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1kpp s PRO 85 CO 0.35 0.37 0.90 0.42 0.04 0.00 0.00 177.00 179.07 1kpp s ILE 86 N -1.48 4.48 0.04 0.56 1.01 -0.87 -4.88 121.20 120.05 1kpp s ILE 86 Ca 0.46 0.35 -0.03 0.00 0.00 0.00 0.00 60.65 61.43 1kpp s ILE 86 Cb -0.20 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1kpp s ILE 86 CO 0.25 -0.83 0.02 0.00 0.00 0.00 0.00 174.94 174.38 1kpp s PHE 88 N -2.78 -0.66 0.85 0.00 0.08 -1.22 -4.54 117.98 109.71 1kpp s PHE 88 Ca -0.04 1.47 -0.14 0.00 0.12 0.00 0.00 56.93 58.34 1kpp s PHE 88 Cb -0.00 0.28 0.22 0.00 -0.57 0.00 0.00 43.02 42.94 1kpp s PHE 88 CO -0.06 -0.42 0.49 1.33 -0.10 0.00 0.00 175.22 176.47 1kpp n VAL 89 N 2.14 0.00 -2.71 -0.44 0.24 0.09 -0.35 118.33 117.30 1kpp n VAL 89 Ca -0.16 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.07 1kpp n VAL 89 Cb 0.56 -0.56 0.11 0.00 -1.47 0.00 0.00 33.84 32.48 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 -3.99 1.16 0.00 7.34 4.81 -1.13 -3.90 118.16 122.45 1kpp n LYS 90 Ca 0.08 -1.95 0.00 0.00 -0.87 0.00 0.00 58.31 55.56 1kpp n LYS 90 Cb 0.34 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 35.08 1kpp n LYS 90 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1kpp n PRO 91 N -0.39 -0.48 -4.32 1.64 -0.04 -1.26 -4.44 135.00 125.71 1kpp n PRO 91 Ca -0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.21 1kpp n PRO 91 Cb 0.82 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 34.16 1kpp n PRO 91 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1kpp s THR 92 N -0.72 1.86 0.06 0.52 -4.23 -1.26 -4.99 115.64 106.88 1kpp s THR 92 Ca 0.00 -1.68 0.31 0.00 -1.18 0.00 0.00 61.69 59.14 1kpp s THR 92 Cb 0.00 -1.72 0.32 0.00 1.34 0.00 0.00 72.50 72.44 1kpp s THR 92 CO 0.00 -0.09 1.94 -1.28 -0.54 0.00 0.00 174.62 174.65 1kpp h SER 93 N 3.83 0.00 0.48 3.99 0.87 -1.98 0.91 113.55 121.65 1kpp h SER 93 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1kpp h SER 93 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1kpp h SER 93 CO 0.42 0.00 -1.02 -1.20 -0.53 0.00 0.00 176.83 174.50 1kpp n SER 94 N -2.63 0.61 -0.01 6.23 7.64 -1.26 -4.23 113.62 119.98 1kpp n SER 94 Ca -0.01 -0.15 0.01 0.00 1.01 0.00 0.00 58.87 59.73 1kpp n SER 94 Cb 0.12 0.76 -0.01 0.00 -1.01 0.00 0.00 64.21 64.08 1kpp n SER 94 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1kpp n MET 95 N -2.02 5.45 0.00 1.43 0.00 -0.45 -4.99 117.12 116.54 1kpp n MET 95 Ca 0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 57.70 57.63 1kpp n MET 95 Cb 0.45 -0.64 0.00 0.00 0.00 0.00 0.00 33.22 33.03 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 -0.87 0.00 -4.12 1.12 5.66 0.30 -3.28 114.28 113.09 1kpp n THR 96 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1kpp n THR 96 Cb 0.03 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.65 1kpp n THR 96 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1kpp s ILE 97 N 0.00 0.43 0.12 1.09 2.07 -1.26 -4.34 121.20 119.30 1kpp s ILE 97 Ca 0.00 -0.11 -0.30 0.00 -1.41 0.00 0.00 60.65 58.83 1kpp s ILE 97 Cb 0.00 -0.44 -0.06 0.00 0.13 0.00 0.00 42.46 42.09 1kpp s ILE 97 CO 0.00 0.18 1.13 -0.75 -1.91 0.00 0.00 174.94 173.59 1kpp s LYS 98 N 0.63 4.52 -0.03 3.50 2.20 0.34 -4.94 119.74 125.96 1kpp s LYS 98 Ca -0.08 1.72 -0.24 0.00 -0.36 0.00 0.00 55.97 57.01 1kpp s LYS 98 Cb -0.11 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1kpp s LYS 98 CO -0.00 -0.07 0.74 0.95 -0.36 0.00 0.00 175.35 176.61 1kpp s THR 99 N 0.36 4.94 0.00 3.43 -4.23 -1.25 -4.65 115.64 114.25 1kpp s THR 99 Ca 0.53 1.54 0.00 0.00 -1.18 0.00 0.00 61.69 62.58 1kpp s THR 99 Cb -0.29 -4.08 0.00 0.00 1.34 0.00 0.00 72.50 69.47 1kpp s THR 99 CO 0.32 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.29 1kpp n GLY 100 N 2.87 3.43 0.15 3.99 0.00 0.11 -4.98 105.19 110.77 1kpp n GLY 100 Ca -0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.27 0.08 1.61 3.64 -1.94 -3.34 116.57 116.34 1kpp h LYS 101 Ca 0.00 0.02 -0.30 0.00 -1.27 0.00 0.00 60.65 59.10 1kpp h LYS 101 Cb 0.00 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1kpp h LYS 101 CO 0.00 0.04 -1.55 0.45 -2.27 0.00 0.00 179.45 176.12 1kpp h HIS 102 N -0.98 0.31 -2.49 1.91 -0.00 -1.97 -3.40 115.15 108.53 1kpp h HIS 102 Ca -0.03 -0.22 -0.79 0.00 -0.00 0.00 0.00 60.37 59.33 1kpp h HIS 102 Cb 0.44 -0.01 -0.23 0.00 -0.00 0.00 0.00 27.41 27.60 1kpp h HIS 102 CO 0.05 1.30 1.16 0.28 -0.00 0.00 0.00 177.93 180.72 1kpp n VAL 103 N -3.36 4.83 -0.25 2.45 0.31 -1.26 -0.46 118.33 120.60 1kpp n VAL 103 Ca -0.16 -5.28 -0.15 0.00 -0.01 0.00 0.00 64.34 58.74 1kpp n VAL 103 Cb 1.03 -2.28 0.14 0.00 -0.91 0.00 0.00 33.84 31.83 1kpp n VAL 103 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kpp n ASP 104 N 2.71 -2.88 0.28 4.52 9.92 -1.25 0.07 116.55 129.92 1kpp n ASP 104 Ca 0.31 -0.42 0.15 0.00 -0.53 0.00 0.00 54.79 54.30 1kpp n ASP 104 Cb 0.36 -0.58 0.85 0.00 -0.64 0.00 0.00 41.12 41.11 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kpp h ALA 105 N -2.71 1.28 -0.16 2.24 0.00 -1.89 -2.19 119.26 115.84 1kpp h ALA 105 Ca -0.19 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1kpp h ALA 105 Cb 0.64 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1kpp h ALA 105 CO 0.11 0.08 -0.21 -1.71 0.00 0.00 0.00 179.25 177.53 1kpp n ASN 106 N -3.57 2.34 -4.17 0.00 2.85 -1.26 -4.97 115.26 106.48 1kpp n ASN 106 Ca -0.02 -3.62 -0.39 0.00 -0.11 0.00 0.00 54.58 50.44 1kpp n ASN 106 Cb 0.18 -0.55 -0.03 0.00 1.24 0.00 0.00 39.78 40.61 1kpp n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1kpp n GLY 107 N -1.11 -0.51 0.20 8.20 0.00 -0.82 -4.69 105.19 106.46 1kpp n GLY 107 Ca 0.24 0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.53 1kpp n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kpp n LYS 108 N -4.82 1.19 -4.19 1.61 4.81 -1.26 -0.73 118.16 114.76 1kpp n LYS 108 Ca -0.21 -0.25 -0.32 0.00 -0.87 0.00 0.00 58.31 56.66 1kpp n LYS 108 Cb 0.63 -1.13 -0.05 0.00 0.02 0.00 0.00 35.03 34.50 1kpp n LYS 108 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1kpp n ILE 109 N -0.25 -1.59 -1.27 3.15 0.13 -1.18 -4.73 119.36 113.62 1kpp n ILE 109 Ca 0.02 -0.28 -0.39 0.00 -1.10 0.00 0.00 62.75 61.00 1kpp n ILE 109 Cb 0.10 -1.72 -0.07 0.00 -0.84 0.00 0.00 39.64 37.11 1kpp n ILE 109 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 1kpp n TYR 110 N -4.40 1.72 -2.85 9.51 4.01 0.40 -4.90 117.16 120.64 1kpp n TYR 110 Ca -0.14 -1.44 -0.27 0.00 -0.16 0.00 0.00 57.90 55.88 1kpp n TYR 110 Cb 0.60 -1.80 -0.01 0.00 -0.31 0.00 0.00 39.34 37.82 1kpp n TYR 110 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1kpp s LEU 111 N 3.94 3.76 0.16 7.72 1.43 -1.26 -4.02 118.68 130.41 1kpp s LEU 111 Ca 0.63 0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 54.55 1kpp s LEU 111 Cb 0.10 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1kpp s LEU 111 CO 0.16 -0.47 1.41 1.55 0.23 0.00 0.00 176.35 179.23 1kpp h PRO 112 N 0.58 0.49 0.32 1.29 0.13 -1.98 -2.84 132.00 129.98 1kpp h PRO 112 Ca -0.47 -0.40 -0.01 0.00 -0.87 0.00 0.00 66.00 64.24 1kpp h PRO 112 Cb 1.20 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1kpp h PRO 112 CO 0.62 1.03 -0.20 -0.92 -0.23 0.00 0.00 178.00 178.30 1kpp h TYR 113 N 0.33 -0.54 -0.34 1.56 5.03 -1.95 0.14 116.97 121.20 1kpp h TYR 113 Ca -0.04 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.37 1kpp h TYR 113 Cb 1.33 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.79 1kpp h TYR 113 CO 0.05 -0.30 0.25 1.37 -1.32 0.00 0.00 178.16 178.21 1kpp h LEU 114 N -0.49 0.00 -0.44 2.82 -0.00 -1.95 -0.49 115.31 114.75 1kpp h LEU 114 Ca -0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.77 1kpp h LEU 114 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 1kpp h LEU 114 CO 0.04 0.00 0.03 -0.74 -0.00 0.00 0.00 178.44 177.77 1kpp h HIS 115 N 0.00 0.82 -0.63 0.17 2.76 -1.21 -2.70 115.15 114.35 1kpp h HIS 115 Ca 0.16 -0.13 -0.18 0.00 -2.20 0.00 0.00 60.37 58.02 1kpp h HIS 115 Cb 0.66 -0.22 -0.11 0.00 1.55 0.00 0.00 27.41 29.30 1kpp h HIS 115 CO 0.00 0.79 0.23 -0.85 -1.30 0.00 0.00 177.93 176.80 1kpp n GLU 116 N -4.43 3.39 -2.70 5.26 0.28 0.00 -4.93 120.64 117.52 1kpp n GLU 116 Ca -0.00 -2.61 -0.43 0.00 -0.16 0.00 0.00 57.16 53.96 1kpp n GLU 116 Cb 0.28 -2.09 -0.02 0.00 1.43 0.00 0.00 31.44 31.03 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 -2.61 3.34 -0.00 -1.84 -0.00 -0.49 -4.86 118.94 112.47 1kpp s TRP 117 Ca 0.47 1.41 0.00 0.00 -0.00 0.00 0.00 56.10 57.98 1kpp s TRP 117 Cb 0.37 -3.23 0.00 0.00 -0.00 0.00 0.00 33.47 30.62 1kpp s TRP 117 CO 0.12 -0.46 0.71 0.36 -0.00 0.00 0.00 176.95 177.68 1kpp n LYS 118 N 6.26 1.18 -1.15 5.86 2.85 -1.26 -5.04 118.16 126.84 1kpp n LYS 118 Ca 0.11 -0.93 0.12 0.00 -1.05 0.00 0.00 58.31 56.56 1kpp n LYS 118 Cb 0.46 -0.71 -0.07 0.00 -0.65 0.00 0.00 35.03 34.07 1kpp n LYS 118 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1kpp n HIS 119 N -0.22 -2.65 -0.38 5.58 1.44 -1.26 -4.90 115.22 112.84 1kpp n HIS 119 Ca 0.00 1.46 0.10 0.00 -2.01 0.00 0.00 57.72 57.28 1kpp n HIS 119 Cb 0.41 -2.41 0.33 0.00 0.12 0.00 0.00 29.99 28.44 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 -3.93 3.14 0.27 -1.40 -0.04 -1.26 -4.91 135.00 126.87 1kpp n PRO 120 Ca -0.07 -2.64 -0.16 0.00 -0.04 0.00 0.00 63.50 60.59 1kpp n PRO 120 Cb 0.47 -1.71 -0.08 0.00 -0.04 0.00 0.00 33.50 32.14 1kpp n PRO 120 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1kpp h GLN 121 N 4.04 -0.64 -6.73 0.54 7.50 -2.02 -3.42 115.11 114.37 1kpp h GLN 121 Ca 0.00 0.04 -0.49 0.00 0.50 0.00 0.00 58.65 58.70 1kpp h GLN 121 Cb 1.18 0.15 -0.02 0.00 0.05 0.00 0.00 27.48 28.83 1kpp h GLN 121 CO 0.11 -0.43 0.24 -1.12 -1.50 0.00 0.00 178.83 176.13 1kpp s SER 122 N -4.61 7.23 0.28 1.46 0.01 -1.26 -5.05 113.70 111.76 1kpp s SER 122 Ca -0.16 1.65 0.04 0.00 1.31 0.00 0.00 55.95 58.78 1kpp s SER 122 Cb 0.04 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 1kpp s SER 122 CO 0.63 -0.00 0.21 1.51 0.41 0.00 0.00 173.24 176.00 1kpp s ASP 123 N -1.59 1.10 0.31 2.44 -4.77 -1.26 -4.73 116.67 108.16 1kpp s ASP 123 Ca 0.46 -1.60 0.01 0.00 -3.30 0.00 0.00 52.55 48.13 1kpp s ASP 123 Cb -0.18 0.47 0.56 0.00 -1.09 0.00 0.00 42.92 42.67 1kpp s ASP 123 CO 0.23 -0.96 1.90 0.25 0.70 0.00 0.00 175.17 177.30 1kpp h LEU 124 N 2.32 0.88 -0.36 2.11 6.46 -1.97 0.21 115.31 124.96 1kpp h LEU 124 Ca -0.30 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.50 1kpp h LEU 124 Cb 1.24 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.96 1kpp h LEU 124 CO 0.45 0.55 0.17 -0.07 -0.62 0.00 0.00 178.44 178.92 1kpp h LEU 125 N 1.00 0.23 -0.44 2.25 4.07 -1.96 -2.12 115.31 118.33 1kpp h LEU 125 Ca 0.40 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 58.30 1kpp h LEU 125 Cb 0.25 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1kpp h LEU 125 CO -0.16 0.17 -0.40 1.23 -1.08 0.00 0.00 178.44 178.21 1kpp h GLY 126 N 0.35 0.00 1.40 0.83 0.00 -1.76 -3.15 103.07 100.73 1kpp h GLY 126 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.57 1kpp h GLY 126 CO -0.13 0.00 0.23 -2.00 0.00 0.00 0.00 176.54 174.64 1kpp h LEU 127 N 0.00 0.06 0.01 3.11 6.46 0.08 -0.80 115.31 124.23 1kpp h LEU 127 Ca -0.00 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.48 1kpp h LEU 127 Cb 1.13 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 1kpp h LEU 127 CO 0.05 0.04 -1.56 0.40 -0.62 0.00 0.00 178.44 176.74 1kpp h ILE 128 N 0.06 1.03 -0.78 4.05 5.03 -1.50 -3.35 117.51 122.06 1kpp h ILE 128 Ca 0.15 -2.84 -0.01 0.00 -0.12 0.00 0.00 64.86 62.04 1kpp h ILE 128 Cb 0.52 2.53 -0.04 0.00 -3.03 0.00 0.00 36.82 36.80 1kpp h ILE 128 CO -0.01 0.62 0.45 -0.61 -0.68 0.00 0.00 178.15 177.93 1kpp h GLN 129 N 0.01 1.08 -0.73 2.37 -0.00 -1.16 -1.86 115.11 114.82 1kpp h GLN 129 Ca -0.23 -0.11 0.04 0.00 -0.00 0.00 0.00 58.65 58.35 1kpp h GLN 129 Cb 1.97 -0.22 -0.05 0.00 0.00 0.00 0.00 27.48 29.18 1kpp h GLN 129 CO 0.09 0.78 0.45 -0.24 0.00 0.00 0.00 178.83 179.91 1kpp h VAL 130 N 1.08 1.07 -0.62 2.39 3.04 -1.47 -1.61 116.25 120.11 1kpp h VAL 130 Ca 0.28 -0.30 -0.05 0.00 -1.01 0.00 0.00 66.70 65.62 1kpp h VAL 130 Cb -0.01 0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 29.38 1kpp h VAL 130 CO -0.05 0.16 0.19 0.24 -1.01 0.00 0.00 177.57 177.10 1kpp h MET 131 N 0.86 0.95 -0.14 4.17 2.86 -1.57 0.35 114.93 122.41 1kpp h MET 131 Ca 0.30 -0.19 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1kpp h MET 131 Cb 0.07 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1kpp h MET 131 CO -0.13 0.82 0.11 0.82 1.06 0.00 0.00 176.91 179.59 1kpp h ILE 132 N 0.92 0.73 0.00 -1.22 5.03 -0.49 0.26 117.51 122.74 1kpp h ILE 132 Ca 0.20 0.00 -0.28 0.00 -0.12 0.00 0.00 64.86 64.66 1kpp h ILE 132 Cb 0.27 0.92 -0.04 0.00 -3.03 0.00 0.00 36.82 34.93 1kpp h ILE 132 CO -0.01 0.00 -1.70 0.52 -0.68 0.00 0.00 178.15 176.28 1kpp n VAL 133 N -4.20 1.52 -0.31 1.67 0.31 -0.72 -2.70 118.33 113.90 1kpp n VAL 133 Ca 0.00 -0.14 0.06 0.00 -0.01 0.00 0.00 64.34 64.26 1kpp n VAL 133 Cb 0.23 -2.04 0.21 0.00 -0.91 0.00 0.00 33.84 31.34 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 0.82 0.00 2.52 2.07 -0.22 -0.08 116.25 120.36 1kpp h VAL 134 Ca -0.43 -0.26 -0.17 0.00 0.82 0.00 0.00 66.70 66.66 1kpp h VAL 134 Cb 1.33 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1kpp h VAL 134 CO -0.26 0.14 -0.89 -0.26 0.02 0.00 0.00 177.57 176.32 1kpp h PHE 135 N 0.75 0.00 0.00 1.57 0.04 -0.66 -1.62 116.94 117.02 1kpp h PHE 135 Ca 0.45 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.22 1kpp h PHE 135 Cb 0.55 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 1kpp h PHE 135 CO -0.06 0.79 -0.02 0.78 -0.60 0.00 0.00 178.31 179.21 1kpp h GLY 136 N 3.26 0.00 0.00 -1.45 0.00 -0.81 -2.40 103.07 101.67 1kpp h GLY 136 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.12 1kpp h GLY 136 CO 0.10 0.00 -1.66 1.22 0.00 0.00 0.00 176.54 176.20 1kpp n ASP 137 N -3.55 2.68 -3.27 0.19 9.92 -0.92 -4.39 116.55 117.21 1kpp n ASP 137 Ca -0.03 -0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.03 1kpp n ASP 137 Cb 0.10 0.67 -0.07 0.00 -0.64 0.00 0.00 41.12 41.18 1kpp n ASP 137 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1kpp s GLU 138 N -2.23 0.83 0.58 -1.24 2.02 -0.61 -5.03 118.70 113.02 1kpp s GLU 138 Ca -0.06 -1.48 -0.17 0.00 0.02 0.00 0.00 54.97 53.28 1kpp s GLU 138 Cb 0.03 -0.93 -0.04 0.00 0.10 0.00 0.00 34.13 33.29 1kpp s GLU 138 CO 0.38 -1.31 1.10 -2.14 0.02 0.00 0.00 175.26 173.31 1kpp s PRO 139 N 0.70 3.23 0.26 0.39 0.02 -0.92 -4.25 135.00 134.45 1kpp s PRO 139 Ca 0.26 1.43 0.07 0.00 0.02 0.00 0.00 61.00 62.79 1kpp s PRO 139 Cb -0.05 -2.01 0.34 0.00 0.02 0.00 0.00 34.50 32.81 1kpp s PRO 139 CO -0.10 -0.91 1.61 -1.00 -0.33 0.00 0.00 177.00 176.27 1kpp h PRO 140 N 0.74 0.16 -7.20 5.54 0.13 -1.89 -3.45 132.00 126.03 1kpp h PRO 140 Ca -0.48 -0.10 -0.50 0.00 -0.87 0.00 0.00 66.00 64.05 1kpp h PRO 140 Cb 1.24 0.01 0.21 0.00 0.13 0.00 0.00 31.00 32.59 1kpp h PRO 140 CO 0.56 0.68 0.10 0.28 -0.23 0.00 0.00 178.00 179.39 1kpp n VAL 141 N -3.89 0.00 0.00 1.56 0.31 -1.26 0.13 118.33 115.17 1kpp n VAL 141 Ca -0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1kpp n VAL 141 Cb 0.58 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 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 -4.42 0.00 -1.78 3.52 7.35 -1.26 -4.54 117.46 116.34 1kpp n PHE 142 Ca 0.09 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.64 1kpp n PHE 142 Cb 0.53 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.32 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 -3.94 -2.93 -2.13 3.41 -1.21 -3.52 113.62 103.31 1kpp n SER 143 Ca 0.00 0.28 -0.04 0.00 -0.26 0.00 0.00 58.87 58.85 1kpp n SER 143 Cb 0.00 -3.52 0.00 0.00 -0.26 0.00 0.00 64.21 60.43 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 -2.26 -2.32 0.00 4.33 0.00 -1.26 -5.04 116.66 110.11 1kpp n ARG 144 Ca -0.15 2.03 0.00 0.00 -0.00 0.00 0.00 57.85 59.73 1kpp n ARG 144 Cb 0.52 -3.89 0.00 0.00 0.00 0.00 0.00 32.46 29.09 1kpp n ARG 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33