#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 1.55 -0.98 0.00 3.14 -1.26 -5.11 118.33 115.67 1kpp n VAL 3 Ca 0.00 -0.60 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1kpp n VAL 3 Cb 0.00 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.33 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 -3.29 -5.57 -0.08 6.55 2.88 -1.26 -3.69 113.62 109.16 1kpp n SER 4 Ca -0.42 0.89 0.04 0.00 -1.33 0.00 0.00 58.87 58.04 1kpp n SER 4 Cb 1.01 -2.65 0.38 0.00 -0.75 0.00 0.00 64.21 62.19 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 0.75 0.67 -0.92 -1.46 5.08 -1.99 -0.62 114.58 116.08 1kpp h GLU 5 Ca 0.00 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1kpp h GLU 5 Cb 0.18 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1kpp h GLU 5 CO 0.00 0.44 0.59 1.03 -1.00 0.00 0.00 179.01 180.08 1kpp h SER 6 N 0.69 0.97 0.43 1.42 0.87 -2.00 -0.70 113.55 115.22 1kpp h SER 6 Ca 0.21 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.49 1kpp h SER 6 Cb 0.00 -0.21 0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1kpp h SER 6 CO -0.05 0.65 -1.24 -0.61 -0.53 0.00 0.00 176.83 175.04 1kpp h GLN 7 N 1.12 0.41 0.46 2.24 -0.00 -1.44 -3.12 115.11 114.78 1kpp h GLN 7 Ca 0.38 -0.62 -0.02 0.00 -0.00 0.00 0.00 58.65 58.40 1kpp h GLN 7 Cb 0.07 0.22 -0.00 0.00 0.00 0.00 0.00 27.48 27.77 1kpp h GLN 7 CO -0.14 1.27 -0.28 1.25 0.00 0.00 0.00 178.83 180.93 1kpp h LEU 8 N 0.15 -0.70 -1.97 -2.39 5.85 -0.66 -0.70 115.31 114.88 1kpp h LEU 8 Ca -0.16 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1kpp h LEU 8 Cb 1.94 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 43.17 1kpp h LEU 8 CO 0.22 -0.44 0.15 0.11 -0.34 0.00 0.00 178.44 178.13 1kpp h LYS 9 N -0.70 0.04 -0.34 1.25 1.57 -1.27 -1.48 116.57 115.63 1kpp h LYS 9 Ca -0.05 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1kpp h LYS 9 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1kpp h LYS 9 CO 0.05 0.03 -0.36 -0.22 -0.57 0.00 0.00 179.45 178.38 1kpp h LYS 10 N 0.04 0.85 -0.70 3.15 3.64 -1.32 0.36 116.57 122.58 1kpp h LYS 10 Ca 0.10 -0.45 0.05 0.00 -1.27 0.00 0.00 60.65 59.07 1kpp h LYS 10 Cb 0.33 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1kpp h LYS 10 CO -0.01 1.09 0.46 0.52 -2.27 0.00 0.00 179.45 179.25 1kpp h MET 11 N 0.64 0.77 -0.23 1.90 2.86 -0.06 -2.07 114.93 118.73 1kpp h MET 11 Ca 0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1kpp h MET 11 Cb 0.94 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1kpp h MET 11 CO 0.09 0.51 0.00 1.33 1.06 0.00 0.00 176.91 179.89 1kpp n VAL 12 N -4.47 2.20 0.19 -2.22 0.24 -1.11 -4.59 118.33 108.57 1kpp n VAL 12 Ca 0.10 -1.91 0.03 0.00 -2.04 0.00 0.00 64.34 60.52 1kpp n VAL 12 Cb 0.18 -0.23 0.38 0.00 -1.47 0.00 0.00 33.84 32.69 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 1.56 0.00 -0.12 -1.34 0.87 0.47 -2.67 113.55 112.32 1kpp h SER 13 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1kpp h SER 13 Cb 1.36 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1kpp h SER 13 CO 0.19 0.36 0.10 0.50 -0.53 0.00 0.00 176.83 177.45 1kpp h LYS 14 N 0.00 0.00 -6.38 2.24 1.63 -1.81 -3.42 116.57 108.83 1kpp h LYS 14 Ca -0.00 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.20 1kpp h LYS 14 Cb 0.68 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.34 1kpp h LYS 14 CO 0.05 0.00 1.00 0.66 -3.45 0.00 0.00 179.45 177.70 1kpp n TYR 15 N -4.27 2.34 0.04 1.91 4.02 -1.01 -4.91 117.16 115.28 1kpp n TYR 15 Ca -0.00 0.07 -0.04 0.00 -0.01 0.00 0.00 57.90 57.91 1kpp n TYR 15 Cb 0.21 -2.63 -0.03 0.00 -0.02 0.00 0.00 39.34 36.88 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 8.03 -0.20 -0.06 -0.72 3.64 -1.80 -3.13 116.57 122.34 1kpp h LYS 16 Ca -0.47 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1kpp h LYS 16 Cb 1.26 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1kpp h LYS 16 CO 0.93 -0.14 0.02 1.88 -2.27 0.00 0.00 179.45 179.87 1kpp h TYR 17 N -0.21 0.10 0.00 1.91 0.05 -1.91 -3.45 116.97 113.45 1kpp h TYR 17 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1kpp h TYR 17 Cb 0.21 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1kpp h TYR 17 CO -0.30 0.28 0.00 -2.13 -1.05 0.00 0.00 178.16 174.97 1kpp n ARG 18 N -4.92 0.00 -0.29 4.88 0.00 -1.18 -4.16 116.66 110.99 1kpp n ARG 18 Ca -0.07 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.89 1kpp n ARG 18 Cb 0.14 0.00 0.26 0.00 0.00 0.00 0.00 32.46 32.86 1kpp n ARG 18 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1kpp h ASP 19 N 0.00 0.18 -0.89 6.15 3.58 -1.90 0.30 116.42 123.85 1kpp h ASP 19 Ca 0.00 0.16 0.17 0.00 0.42 0.00 0.00 57.03 57.78 1kpp h ASP 19 Cb 0.00 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.15 1kpp h ASP 19 CO 0.00 -0.03 0.58 0.17 -2.88 0.00 0.00 179.24 177.08 1kpp h LEU 20 N 0.34 0.54 0.12 2.28 -0.00 -1.98 -0.86 115.31 115.74 1kpp h LEU 20 Ca 0.51 0.04 -0.30 0.00 -0.00 0.00 0.00 57.88 58.14 1kpp h LEU 20 Cb 0.95 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.55 1kpp h LEU 20 CO -0.54 0.24 -1.49 0.74 -0.00 0.00 0.00 178.44 177.40 1kpp h THR 21 N 0.55 1.20 -0.90 0.15 2.02 -0.86 -3.06 112.91 112.02 1kpp h THR 21 Ca 0.46 -2.84 0.20 0.00 0.77 0.00 0.00 66.41 65.00 1kpp h THR 21 Cb 0.93 2.79 -0.07 0.00 -1.74 0.00 0.00 68.15 70.06 1kpp h THR 21 CO -0.20 0.83 0.60 0.58 0.37 0.00 0.00 175.52 177.69 1kpp h VAL 22 N 0.07 0.68 0.20 3.16 2.07 0.48 0.83 116.25 123.74 1kpp h VAL 22 Ca -0.23 -0.14 -0.33 0.00 0.82 0.00 0.00 66.70 66.82 1kpp h VAL 22 Cb 2.01 0.22 0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1kpp h VAL 22 CO 0.17 0.08 -1.59 -0.09 0.02 0.00 0.00 177.57 176.16 1kpp h ARG 23 N 0.42 0.42 -0.16 1.57 2.43 -1.55 -3.00 114.38 114.52 1kpp h ARG 23 Ca 0.47 -0.73 -0.08 0.00 -0.81 0.00 0.00 59.98 58.84 1kpp h ARG 23 Cb 1.15 0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 1kpp h ARG 23 CO -0.18 1.35 -0.25 0.93 -1.51 0.00 0.00 179.97 180.30 1kpp h GLU 24 N 0.05 0.28 -0.12 0.20 5.08 -1.08 0.16 114.58 119.15 1kpp h GLU 24 Ca -0.30 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 57.77 1kpp h GLU 24 Cb 2.07 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.30 1kpp h GLU 24 CO 0.20 0.52 -0.67 0.00 -1.00 0.00 0.00 179.01 178.06 1kpp h THR 25 N 0.26 1.32 -0.06 1.13 1.03 0.50 -3.07 112.91 114.02 1kpp h THR 25 Ca 0.04 -1.92 -0.05 0.00 -0.01 0.00 0.00 66.41 64.47 1kpp h THR 25 Cb 0.59 2.10 0.00 0.00 -1.07 0.00 0.00 68.15 69.77 1kpp h THR 25 CO 0.04 0.60 -0.17 1.62 -0.01 0.00 0.00 175.52 177.60 1kpp h VAL 26 N 0.34 1.43 -0.67 0.00 3.04 -1.37 -2.85 116.25 116.18 1kpp h VAL 26 Ca -0.05 -1.53 0.14 0.00 -1.01 0.00 0.00 66.70 64.25 1kpp h VAL 26 Cb 1.31 2.28 -0.10 0.00 -2.01 0.00 0.00 31.29 32.77 1kpp h VAL 26 CO 0.14 0.43 0.13 0.78 -1.01 0.00 0.00 177.57 178.04 1kpp h ASN 27 N -0.29 -0.04 0.68 3.17 2.35 -0.77 0.88 115.58 121.55 1kpp h ASN 27 Ca -0.00 0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1kpp h ASN 27 Cb 0.78 0.19 0.01 0.00 0.05 0.00 0.00 38.32 39.35 1kpp h ASN 27 CO 0.04 -0.03 -0.32 0.58 -1.65 0.00 0.00 177.43 176.04 1kpp h VAL 28 N 0.24 0.00 -0.02 2.81 2.07 -1.59 0.22 116.25 119.98 1kpp h VAL 28 Ca 0.37 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.70 1kpp h VAL 28 Cb 0.59 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1kpp h VAL 28 CO -0.48 0.00 0.04 0.16 0.02 0.00 0.00 177.57 177.31 1kpp h ILE 29 N -1.10 0.34 0.00 4.57 3.07 -1.24 0.02 117.51 123.17 1kpp h ILE 29 Ca -0.09 0.00 -0.20 0.00 1.55 0.00 0.00 64.86 66.12 1kpp h ILE 29 Cb 0.69 0.97 -0.03 0.00 -0.27 0.00 0.00 36.82 38.18 1kpp h ILE 29 CO 0.15 0.00 -1.06 0.74 -1.05 0.00 0.00 178.15 176.93 1kpp h THR 30 N 0.00 1.31 0.00 0.16 2.02 0.93 -3.28 112.91 114.05 1kpp h THR 30 Ca 0.01 -2.96 0.00 0.00 0.77 0.00 0.00 66.41 64.23 1kpp h THR 30 Cb 0.09 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1kpp h THR 30 CO -0.00 0.75 -0.56 0.25 0.37 0.00 0.00 175.52 176.32 1kpp h LEU 31 N 0.00 0.00 -9.10 2.58 5.85 0.81 -3.47 115.31 111.98 1kpp h LEU 31 Ca -0.07 -0.03 -0.49 0.00 0.84 0.00 0.00 57.88 58.13 1kpp h LEU 31 Cb 1.73 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.62 1kpp h LEU 31 CO 0.10 0.02 -0.68 -0.31 -0.34 0.00 0.00 178.44 177.23 1kpp s TYR 32 N -3.27 1.92 -0.00 1.25 1.51 -0.22 -5.06 117.35 113.49 1kpp s TYR 32 Ca 0.04 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1kpp s TYR 32 Cb 0.09 -1.07 -0.00 0.00 -0.11 0.00 0.00 41.96 40.87 1kpp s TYR 32 CO 0.73 0.28 0.00 1.63 -1.11 0.00 0.00 175.55 177.08 1kpp n LYS 33 N -0.56 1.03 -1.00 -0.62 4.01 -1.26 -4.65 118.16 115.11 1kpp n LYS 33 Ca -0.06 -0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.58 1kpp n LYS 33 Cb 0.63 -0.93 0.18 0.00 -0.51 0.00 0.00 35.03 34.40 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 -1.43 3.83 -4.49 4.39 8.00 -1.26 -4.93 116.55 120.66 1kpp n ASP 34 Ca -0.00 -3.28 -0.27 0.00 0.71 0.00 0.00 54.79 51.95 1kpp n ASP 34 Cb 0.00 -0.77 -0.11 0.00 -0.02 0.00 0.00 41.12 40.23 1kpp n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1kpp s LEU 35 N -2.72 2.66 -0.28 0.64 2.96 -1.26 0.33 118.68 121.01 1kpp s LEU 35 Ca 0.48 -0.75 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1kpp s LEU 35 Cb 0.40 -1.37 0.17 0.00 0.50 0.00 0.00 46.19 45.89 1kpp s LEU 35 CO 0.10 0.11 0.48 -0.54 -1.32 0.00 0.00 176.35 175.18 1kpp s LYS 36 N -2.77 0.47 0.32 1.98 -0.14 0.83 -4.96 119.74 115.47 1kpp s LYS 36 Ca 0.23 0.51 -0.27 0.00 -1.36 0.00 0.00 55.97 55.07 1kpp s LYS 36 Cb -0.08 -0.03 -0.13 0.00 -1.68 0.00 0.00 37.83 35.90 1kpp s LYS 36 CO 0.12 -0.86 1.02 -2.30 -0.76 0.00 0.00 175.35 172.58 1kpp n PRO 37 N 5.39 1.41 -4.35 -1.68 -0.02 -1.26 -3.02 135.00 131.47 1kpp n PRO 37 Ca 0.00 0.50 -0.18 0.00 -2.02 0.00 0.00 63.50 61.80 1kpp n PRO 37 Cb 0.51 -1.92 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 1kpp n PRO 37 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kpp s VAL 38 N -1.12 1.55 -0.16 -1.45 1.01 0.20 -4.89 120.40 115.54 1kpp s VAL 38 Ca 0.59 -2.15 0.01 0.00 0.00 0.00 0.00 61.98 60.43 1kpp s VAL 38 Cb -0.65 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1kpp s VAL 38 CO 0.60 -0.51 -0.18 -0.22 0.00 0.00 0.00 175.10 174.78 1kpp s LEU 39 N -3.32 2.27 -0.23 3.92 1.98 -1.26 -1.24 118.68 120.79 1kpp s LEU 39 Ca 0.24 -0.57 -0.20 0.00 -2.89 0.00 0.00 54.13 50.70 1kpp s LEU 39 Cb 0.02 -1.51 0.06 0.00 0.66 0.00 0.00 46.19 45.42 1kpp s LEU 39 CO 0.07 0.04 0.61 -0.62 -1.89 0.00 0.00 176.35 174.57 1kpp s ASP 40 N 1.04 -0.66 0.37 3.68 2.15 -0.77 -4.99 116.67 117.50 1kpp s ASP 40 Ca -0.01 1.24 -0.10 0.00 0.43 0.00 0.00 52.55 54.11 1kpp s ASP 40 Cb -0.14 1.24 -0.07 0.00 -0.30 0.00 0.00 42.92 43.65 1kpp s ASP 40 CO -0.06 -0.21 0.73 -0.44 -0.17 0.00 0.00 175.17 175.02 1kpp s SER 41 N 0.46 6.54 -0.07 -0.34 0.01 -1.26 -2.67 113.70 116.38 1kpp s SER 41 Ca -0.01 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1kpp s SER 41 Cb -0.04 -2.30 0.02 0.00 0.21 0.00 0.00 66.02 63.91 1kpp s SER 41 CO -0.01 -0.34 -0.04 -0.47 0.41 0.00 0.00 173.24 172.78 1kpp s TYR 42 N -2.27 0.93 0.24 2.43 6.14 -0.49 -4.87 117.35 119.47 1kpp s TYR 42 Ca 0.50 -0.33 -0.09 0.00 0.64 0.00 0.00 57.07 57.80 1kpp s TYR 42 Cb -0.10 -0.85 -0.07 0.00 0.42 0.00 0.00 41.96 41.36 1kpp s TYR 42 CO 0.29 -0.30 0.55 0.14 0.64 0.00 0.00 175.55 176.87 1kpp s VAL 43 N 1.36 4.96 -0.54 3.14 -7.23 -1.26 -2.23 120.40 118.59 1kpp s VAL 43 Ca -0.04 0.38 -0.01 0.00 -1.81 0.00 0.00 61.98 60.50 1kpp s VAL 43 Cb -0.13 -3.64 0.42 0.00 0.56 0.00 0.00 36.38 33.58 1kpp s VAL 43 CO -0.03 -0.13 1.99 0.49 -0.31 0.00 0.00 175.10 177.12 1kpp n PHE 44 N -0.31 2.76 0.00 2.82 3.72 -0.97 -4.93 117.46 120.55 1kpp n PHE 44 Ca 0.00 -2.57 0.00 0.00 -0.05 0.00 0.00 57.45 54.83 1kpp n PHE 44 Cb 0.53 -1.25 0.00 0.00 -0.94 0.00 0.00 39.48 37.82 1kpp n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1kpp n ASN 45 N -0.63 0.00 -0.16 4.37 4.13 -1.26 -2.73 115.26 118.97 1kpp n ASN 45 Ca 0.54 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.86 1kpp n ASN 45 Cb 0.78 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 39.11 1kpp n ASN 45 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1kpp n ASP 46 N 1.86 1.65 -0.58 6.41 5.68 -1.26 -4.70 116.55 125.61 1kpp n ASP 46 Ca 0.00 -2.62 0.07 0.00 -0.50 0.00 0.00 54.79 51.74 1kpp n ASP 46 Cb 0.00 -0.31 0.20 0.00 -1.14 0.00 0.00 41.12 39.87 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 -0.93 4.58 1.17 6.12 0.00 -1.10 -5.10 105.19 109.93 1kpp n GLY 47 Ca 0.10 -1.13 0.16 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.01 -7.01 -4.90 1.61 3.41 -1.26 -4.56 113.62 99.90 1kpp n SER 48 Ca 0.21 0.62 -0.29 0.00 -0.26 0.00 0.00 58.87 59.14 1kpp n SER 48 Cb 0.80 -3.65 0.08 0.00 -0.26 0.00 0.00 64.21 61.18 1kpp n SER 48 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1kpp s SER 49 N -6.44 4.73 -0.21 4.04 0.15 -1.26 -2.29 113.70 112.42 1kpp s SER 49 Ca 0.00 0.85 -0.16 0.00 0.70 0.00 0.00 55.95 57.34 1kpp s SER 49 Cb 0.00 -1.41 0.06 0.00 -1.71 0.00 0.00 66.02 62.96 1kpp s SER 49 CO 0.00 -1.76 0.54 -0.60 1.20 0.00 0.00 173.24 172.62 1kpp s ARG 50 N -5.51 0.59 -0.07 5.44 3.52 -0.95 -4.89 118.95 117.07 1kpp s ARG 50 Ca 0.61 0.88 -0.29 0.00 -0.13 0.00 0.00 55.73 56.80 1kpp s ARG 50 Cb -0.11 0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.38 1kpp s ARG 50 CO 0.49 -0.12 2.08 -1.91 -0.81 0.00 0.00 175.30 175.04 1kpp n GLU 51 N 3.55 2.48 -4.24 5.12 4.07 -1.26 -1.39 120.64 128.97 1kpp n GLU 51 Ca -0.18 0.83 -0.15 0.00 -0.06 0.00 0.00 57.16 57.60 1kpp n GLU 51 Cb 0.57 -3.11 -0.10 0.00 -0.06 0.00 0.00 31.44 28.73 1kpp n GLU 51 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1kpp s LEU 52 N 6.13 2.49 0.05 4.31 2.96 -1.09 -4.87 118.68 128.66 1kpp s LEU 52 Ca 0.94 -0.95 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 1kpp s LEU 52 Cb -0.39 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 1kpp s LEU 52 CO 0.39 -0.28 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.69 1kpp s MET 53 N -3.41 0.86 0.34 1.98 -2.45 -1.25 -1.84 119.30 113.53 1kpp s MET 53 Ca 0.14 -0.81 0.05 0.00 -1.25 0.00 0.00 55.69 53.82 1kpp s MET 53 Cb 0.00 -0.86 -0.03 0.00 1.25 0.00 0.00 34.83 35.19 1kpp s MET 53 CO 0.01 0.20 0.21 0.54 1.05 0.00 0.00 175.02 177.03 1kpp s ASN 54 N -1.34 1.82 -0.24 1.11 4.22 -0.37 -2.88 114.94 117.26 1kpp s ASN 54 Ca -0.00 -1.67 -0.04 0.00 -2.14 0.00 0.00 52.86 49.00 1kpp s ASN 54 Cb -0.09 0.50 0.08 0.00 1.28 0.00 0.00 41.25 43.03 1kpp s ASN 54 CO 0.01 -0.98 0.11 -0.76 -2.04 0.00 0.00 177.10 173.45 1kpp s LEU 55 N -3.42 0.54 0.19 3.54 1.43 -0.85 0.60 118.68 120.72 1kpp s LEU 55 Ca 0.35 -1.03 0.04 0.00 -1.03 0.00 0.00 54.13 52.45 1kpp s LEU 55 Cb 0.03 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.89 1kpp s LEU 55 CO 0.21 -0.40 0.32 -0.89 0.23 0.00 0.00 176.35 175.82 1kpp s THR 56 N 2.09 5.29 -2.91 5.49 2.01 -1.17 -1.74 115.64 124.71 1kpp s THR 56 Ca 0.06 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1kpp s THR 56 Cb -0.16 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.55 1kpp s THR 56 CO -0.25 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.08 1kpp n GLY 57 N -0.97 -0.62 3.01 4.40 0.00 -1.06 -0.12 105.19 109.83 1kpp n GLY 57 Ca -0.08 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1kpp n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kpp s THR 58 N -4.00 0.02 -0.19 2.61 -4.23 0.15 -2.71 115.64 107.29 1kpp s THR 58 Ca 0.00 -0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.33 1kpp s THR 58 Cb 0.00 -0.22 -0.01 0.00 1.34 0.00 0.00 72.50 73.61 1kpp s THR 58 CO 0.00 -0.08 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.30 1kpp s ILE 59 N -0.23 3.34 -0.24 2.99 1.01 -0.62 -4.42 121.20 123.03 1kpp s ILE 59 Ca -0.03 -0.52 -0.33 0.00 0.00 0.00 0.00 60.65 59.77 1kpp s ILE 59 Cb -0.02 -2.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.87 1kpp s ILE 59 CO 0.00 0.46 2.12 -2.65 0.00 0.00 0.00 174.94 174.87 1kpp n PRO 60 N 4.31 1.63 -3.63 2.79 -0.02 -1.26 -2.85 135.00 135.98 1kpp n PRO 60 Ca -0.18 0.50 -0.29 0.00 -2.02 0.00 0.00 63.50 61.50 1kpp n PRO 60 Cb 0.51 -2.75 -0.14 0.00 -0.02 0.00 0.00 33.50 31.10 1kpp n PRO 60 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kpp s VAL 61 N 6.81 0.67 0.61 -1.45 1.01 -1.13 -4.87 120.40 122.04 1kpp s VAL 61 Ca 1.03 -1.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1kpp s VAL 61 Cb -0.65 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1kpp s VAL 61 CO 0.45 -0.82 1.12 -2.16 0.00 0.00 0.00 175.10 173.69 1kpp s PRO 62 N 1.24 3.03 0.00 2.72 0.04 -1.26 -1.93 135.00 138.84 1kpp s PRO 62 Ca 0.14 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1kpp s PRO 62 Cb -0.20 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1kpp s PRO 62 CO -0.14 -1.08 0.00 0.98 0.04 0.00 0.00 177.00 176.80 1kpp n TYR 63 N -1.96 0.00 -1.56 0.56 9.36 -1.05 -4.85 117.16 117.66 1kpp n TYR 63 Ca 0.11 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.99 1kpp n TYR 63 Cb 0.52 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.26 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 -0.37 2.58 -1.14 2.98 1.74 -1.26 -4.75 116.66 116.44 1kpp n ARG 64 Ca 0.00 -3.07 -0.05 0.00 -0.77 0.00 0.00 57.85 53.96 1kpp n ARG 64 Cb 0.00 -2.19 -0.02 0.00 -1.02 0.00 0.00 32.46 29.23 1kpp n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kpp n GLY 65 N -0.36 0.74 3.60 -0.13 0.00 -1.26 -4.95 105.19 102.83 1kpp n GLY 65 Ca 0.54 -0.56 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1kpp n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kpp s ASN 66 N -2.68 -0.05 0.09 1.61 3.04 -1.26 -5.14 114.94 110.54 1kpp s ASN 66 Ca 0.00 -0.04 -0.31 0.00 0.04 0.00 0.00 52.86 52.55 1kpp s ASN 66 Cb 0.00 0.09 -0.07 0.00 -1.54 0.00 0.00 41.25 39.72 1kpp s ASN 66 CO 0.00 -0.15 1.36 -0.89 -3.04 0.00 0.00 177.10 174.38 1kpp s THR 67 N -2.24 3.51 0.00 -5.21 2.01 -1.26 -2.53 115.64 109.92 1kpp s THR 67 Ca 0.13 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.19 1kpp s THR 67 Cb 0.03 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1kpp s THR 67 CO -0.04 0.07 0.00 0.00 -0.69 0.00 0.00 174.62 173.96 1kpp n TYR 68 N 4.17 -1.69 -3.29 4.92 9.36 -0.81 -4.82 117.16 125.00 1kpp n TYR 68 Ca 0.11 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.15 1kpp n TYR 68 Cb 0.43 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.07 1kpp n TYR 68 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1kpp s ASN 69 N -1.00 0.97 -0.01 2.98 4.22 -1.26 -2.82 114.94 118.02 1kpp s ASN 69 Ca 0.00 -1.99 -0.30 0.00 -2.14 0.00 0.00 52.86 48.43 1kpp s ASN 69 Cb 0.00 0.46 -0.03 0.00 1.28 0.00 0.00 41.25 42.96 1kpp s ASN 69 CO 0.00 -0.21 1.00 -0.63 -2.04 0.00 0.00 177.10 175.22 1kpp s ILE 70 N 1.00 4.79 0.40 0.54 -1.09 -1.13 -4.78 121.20 120.93 1kpp s ILE 70 Ca 0.22 2.01 -0.24 0.00 -2.23 0.00 0.00 60.65 60.41 1kpp s ILE 70 Cb -0.09 -4.29 -0.09 0.00 -1.58 0.00 0.00 42.46 36.41 1kpp s ILE 70 CO -0.06 0.13 1.06 -2.16 -1.23 0.00 0.00 174.94 172.68 1kpp s PRO 71 N 1.17 4.13 0.29 2.79 0.04 -1.26 -1.59 135.00 140.56 1kpp s PRO 71 Ca 0.52 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 1kpp s PRO 71 Cb -0.21 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.81 1kpp s PRO 71 CO 0.27 -0.18 0.68 0.96 0.04 0.00 0.00 177.00 178.76 1kpp s ILE 72 N -1.64 0.00 0.12 0.56 -5.25 -1.10 -4.44 121.20 109.45 1kpp s ILE 72 Ca 0.58 -1.09 -0.10 0.00 -0.99 0.00 0.00 60.65 59.05 1kpp s ILE 72 Cb -0.23 -2.16 0.00 0.00 2.95 0.00 0.00 42.46 43.02 1kpp s ILE 72 CO 0.28 0.00 0.26 0.00 -1.79 0.00 0.00 174.94 173.69 1kpp s LEU 74 N -2.89 2.14 0.09 0.00 0.20 -0.71 -1.76 118.68 115.75 1kpp s LEU 74 Ca 0.09 -0.39 0.10 0.00 0.69 0.00 0.00 54.13 54.62 1kpp s LEU 74 Cb 0.04 -0.49 -0.03 0.00 -0.43 0.00 0.00 46.19 45.27 1kpp s LEU 74 CO -0.07 0.01 -0.26 0.26 -0.29 0.00 0.00 176.35 176.00 1kpp s TRP 75 N -0.76 2.27 0.47 5.38 0.23 0.14 -2.00 118.94 124.66 1kpp s TRP 75 Ca 0.00 -0.40 0.01 0.00 -2.03 0.00 0.00 56.10 53.68 1kpp s TRP 75 Cb -0.07 -1.29 0.01 0.00 0.03 0.00 0.00 33.47 32.15 1kpp s TRP 75 CO 0.01 0.23 0.04 1.28 0.96 0.00 0.00 176.95 179.47 1kpp n LEU 76 N 1.34 0.00 -3.89 2.99 7.99 -1.14 -2.17 117.00 122.13 1kpp n LEU 76 Ca -0.18 -2.85 -0.11 0.00 -0.01 0.00 0.00 56.01 52.86 1kpp n LEU 76 Cb 0.53 0.28 -0.11 0.00 -0.11 0.00 0.00 43.42 44.00 1kpp n LEU 76 CO 0.23 -0.43 -0.26 -1.48 -1.51 0.00 0.00 177.39 173.95 1kpp s LEU 77 N 0.00 1.78 0.33 2.23 -0.00 -1.26 -4.82 118.68 116.93 1kpp s LEU 77 Ca 0.03 -0.14 0.02 0.00 -0.00 0.00 0.00 54.13 54.05 1kpp s LEU 77 Cb -0.00 0.38 0.56 0.00 -0.00 0.00 0.00 46.19 47.13 1kpp s LEU 77 CO 0.02 -0.22 1.90 -0.78 -0.00 0.00 0.00 176.35 177.26 1kpp h ASP 78 N 5.03 0.62 0.00 1.48 3.58 -1.94 -3.45 116.42 121.74 1kpp h ASP 78 Ca -0.29 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1kpp h ASP 78 Cb 1.20 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1kpp h ASP 78 CO 0.42 0.60 0.00 1.07 -2.88 0.00 0.00 179.24 178.46 1kpp n THR 79 N -4.32 0.00 -3.50 2.25 5.66 -1.26 -3.01 114.28 110.10 1kpp n THR 79 Ca 0.03 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.92 1kpp n THR 79 Cb 0.19 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.95 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 -0.46 -0.11 1.09 2.02 -1.26 -4.38 117.35 114.25 1kpp s TYR 80 Ca 0.00 0.22 0.16 0.00 -0.37 0.00 0.00 57.07 57.08 1kpp s TYR 80 Cb 0.00 0.58 -0.12 0.00 -0.40 0.00 0.00 41.96 42.02 1kpp s TYR 80 CO 0.00 -0.89 0.90 -1.00 -1.57 0.00 0.00 175.55 172.99 1kpp h PRO 81 N 2.00 0.00 -3.23 -1.71 0.13 -2.01 -3.46 132.00 123.72 1kpp h PRO 81 Ca -0.31 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.26 1kpp h PRO 81 Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.45 1kpp h PRO 81 CO 0.35 0.36 3.36 2.48 -0.23 0.00 0.00 178.00 184.31 1kpp n TYR 82 N -2.96 2.08 -0.34 1.56 0.18 -1.26 -4.73 117.16 111.69 1kpp n TYR 82 Ca -0.09 -2.66 0.00 0.00 1.88 0.00 0.00 57.90 57.04 1kpp n TYR 82 Cb 0.85 -2.19 0.06 0.00 -0.38 0.00 0.00 39.34 37.69 1kpp n TYR 82 CO 0.00 0.00 0.00 -0.91 -2.08 0.00 0.00 176.86 173.87 1kpp h ASN 83 N 5.58 -1.22 -2.97 9.48 4.21 -1.89 -3.41 115.58 125.36 1kpp h ASN 83 Ca 0.72 0.29 -0.59 0.00 1.21 0.00 0.00 56.30 57.93 1kpp h ASN 83 Cb 0.26 0.68 0.15 0.00 -1.12 0.00 0.00 38.32 38.28 1kpp h ASN 83 CO 1.68 -0.30 -0.05 -2.65 -1.29 0.00 0.00 177.43 174.81 1kpp n PRO 84 N -5.51 0.97 -2.16 0.81 -0.02 -1.26 -4.79 135.00 123.04 1kpp n PRO 84 Ca 0.11 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 1kpp n PRO 84 Cb 0.42 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1kpp n PRO 84 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kpp s PRO 85 N -2.05 4.29 0.28 0.52 0.04 -1.26 -4.86 135.00 131.96 1kpp s PRO 85 Ca 0.66 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.66 1kpp s PRO 85 Cb -0.53 -3.45 -0.07 0.00 0.04 0.00 0.00 34.50 30.50 1kpp s PRO 85 CO 0.55 -0.54 0.62 0.42 0.04 0.00 0.00 177.00 178.09 1kpp s ILE 86 N 1.91 4.87 0.27 0.56 1.01 -0.92 -4.97 121.20 123.93 1kpp s ILE 86 Ca 0.66 0.54 0.09 0.00 0.00 0.00 0.00 60.65 61.94 1kpp s ILE 86 Cb -0.35 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1kpp s ILE 86 CO 0.29 -0.20 -0.14 0.00 0.00 0.00 0.00 174.94 174.89 1kpp s PHE 88 N -2.75 -0.49 -0.02 0.00 0.08 -0.72 -4.08 117.98 109.99 1kpp s PHE 88 Ca 0.28 0.32 0.04 0.00 0.12 0.00 0.00 56.93 57.69 1kpp s PHE 88 Cb -0.01 0.55 -0.01 0.00 -0.57 0.00 0.00 43.02 42.98 1kpp s PHE 88 CO 0.12 -0.75 -0.15 0.54 -0.10 0.00 0.00 175.22 174.89 1kpp s VAL 89 N -3.48 1.19 -0.39 -0.44 0.11 0.34 0.11 120.40 117.85 1kpp s VAL 89 Ca 0.02 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 1kpp s VAL 89 Cb -0.01 -1.01 0.13 0.00 -1.53 0.00 0.00 36.38 33.96 1kpp s VAL 89 CO -0.11 0.34 0.19 -0.54 -3.33 0.00 0.00 175.10 171.66 1kpp s LYS 90 N -0.12 1.00 0.76 1.54 -0.14 -1.26 -4.77 119.74 116.75 1kpp s LYS 90 Ca 0.01 -1.63 -0.12 0.00 -1.36 0.00 0.00 55.97 52.88 1kpp s LYS 90 Cb -0.08 -2.06 0.05 0.00 -1.68 0.00 0.00 37.83 34.06 1kpp s LYS 90 CO 0.00 -1.12 1.11 -1.25 -0.76 0.00 0.00 175.35 173.34 1kpp s PRO 91 N 0.84 2.20 0.84 -1.68 0.04 -1.26 -4.55 135.00 131.42 1kpp s PRO 91 Ca 0.15 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.43 1kpp s PRO 91 Cb -0.22 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.59 1kpp s PRO 91 CO -0.07 -1.71 1.17 0.95 0.04 0.00 0.00 177.00 177.38 1kpp s THR 92 N -2.65 2.08 0.39 1.26 -4.23 -1.26 -4.96 115.64 106.27 1kpp s THR 92 Ca 0.65 -0.23 0.26 0.00 -1.18 0.00 0.00 61.69 61.18 1kpp s THR 92 Cb -0.20 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.07 1kpp s THR 92 CO 0.52 0.00 2.04 0.28 -0.54 0.00 0.00 174.62 176.92 1kpp h SER 93 N -1.11 0.00 0.68 3.99 0.02 -2.00 -3.13 113.55 112.00 1kpp h SER 93 Ca -0.42 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 1kpp h SER 93 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1kpp h SER 93 CO 0.43 0.14 -0.46 -1.28 -1.14 0.00 0.00 176.83 174.52 1kpp h SER 94 N 0.00 -1.18 -5.56 3.07 0.87 -2.04 -3.45 113.55 105.27 1kpp h SER 94 Ca -0.00 0.07 -0.55 0.00 -1.23 0.00 0.00 61.79 60.09 1kpp h SER 94 Cb 0.38 0.35 -0.05 0.00 -0.44 0.00 0.00 62.40 62.64 1kpp h SER 94 CO 0.02 -0.68 -0.28 1.15 -0.53 0.00 0.00 176.83 176.50 1kpp n MET 95 N -5.58 0.75 0.00 2.24 -0.00 -1.18 -5.16 117.12 108.19 1kpp n MET 95 Ca -0.14 -3.23 0.00 0.00 -0.00 0.00 0.00 57.70 54.34 1kpp n MET 95 Cb 0.46 0.42 0.00 0.00 -0.00 0.00 0.00 33.22 34.11 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 -1.62 0.00 -4.16 3.17 5.66 -1.12 -4.35 114.28 111.85 1kpp n THR 96 Ca -0.04 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.62 1kpp n THR 96 Cb 0.58 -0.18 -0.15 0.00 -1.55 0.00 0.00 70.33 69.03 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 1.52 2.74 0.07 1.09 2.07 -1.25 -4.48 121.20 122.96 1kpp s ILE 97 Ca 0.00 -0.72 -0.28 0.00 -1.41 0.00 0.00 60.65 58.24 1kpp s ILE 97 Cb 0.00 -2.19 -0.05 0.00 0.13 0.00 0.00 42.46 40.34 1kpp s ILE 97 CO 0.00 0.49 0.89 -0.75 -1.91 0.00 0.00 174.94 173.66 1kpp s LYS 98 N 1.21 4.61 -0.18 3.50 2.20 -1.24 -4.63 119.74 125.21 1kpp s LYS 98 Ca 0.02 1.31 -0.08 0.00 -0.36 0.00 0.00 55.97 56.86 1kpp s LYS 98 Cb -0.14 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1kpp s LYS 98 CO -0.06 0.19 0.09 0.95 -0.36 0.00 0.00 175.35 176.16 1kpp s THR 99 N 0.17 5.01 0.00 3.43 -4.23 -1.26 -4.69 115.64 114.08 1kpp s THR 99 Ca 0.45 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1kpp s THR 99 Cb -0.22 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1kpp s THR 99 CO 0.27 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 1kpp n GLY 100 N 3.34 2.83 0.10 3.99 0.00 -0.83 -4.86 105.19 109.75 1kpp n GLY 100 Ca -0.17 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1kpp n GLY 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kpp n LYS 101 N 0.00 0.54 0.12 1.61 0.00 -1.26 -4.64 118.16 114.53 1kpp n LYS 101 Ca 0.00 0.23 -0.24 0.00 0.00 0.00 0.00 58.31 58.30 1kpp n LYS 101 Cb 0.00 -1.45 -0.16 0.00 0.00 0.00 0.00 35.03 33.43 1kpp n LYS 101 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1kpp h HIS 102 N -1.00 0.86 -2.15 5.64 -0.00 -1.94 -3.39 115.15 113.16 1kpp h HIS 102 Ca -0.15 -0.63 -0.76 0.00 -0.00 0.00 0.00 60.37 58.83 1kpp h HIS 102 Cb 1.12 -0.03 -0.19 0.00 -0.00 0.00 0.00 27.41 28.30 1kpp h HIS 102 CO -0.36 1.53 1.41 0.28 -0.00 0.00 0.00 177.93 180.80 1kpp n VAL 103 N -3.79 4.46 -0.35 2.45 0.31 -1.26 0.11 118.33 120.25 1kpp n VAL 103 Ca -0.18 -4.84 -0.17 0.00 -0.01 0.00 0.00 64.34 59.14 1kpp n VAL 103 Cb 1.04 -2.40 0.17 0.00 -0.91 0.00 0.00 33.84 31.74 1kpp n VAL 103 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1kpp n ASP 104 N 4.13 -3.17 0.09 4.52 5.68 -1.23 -1.97 116.55 124.60 1kpp n ASP 104 Ca 0.35 -0.50 0.13 0.00 -0.50 0.00 0.00 54.79 54.27 1kpp n ASP 104 Cb 0.39 -0.72 0.44 0.00 -1.14 0.00 0.00 41.12 40.09 1kpp n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kpp n ALA 105 N -4.49 2.25 -0.54 2.12 0.00 -1.26 -3.28 120.51 115.32 1kpp n ALA 105 Ca -0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 1kpp n ALA 105 Cb 0.34 -1.46 0.25 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.14 4.23 -2.47 0.00 4.13 -1.26 -4.89 115.26 112.86 1kpp n ASN 106 Ca 0.06 -2.90 -0.12 0.00 1.68 0.00 0.00 54.58 53.29 1kpp n ASN 106 Cb 0.40 -0.69 -0.01 0.00 -1.54 0.00 0.00 39.78 37.95 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 0.02 -0.50 3.29 7.41 0.00 -1.20 -4.91 105.19 109.29 1kpp n GLY 107 Ca 0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 1kpp n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kpp s LYS 108 N -5.06 3.02 -0.66 1.61 2.36 -1.26 -0.50 119.74 119.25 1kpp s LYS 108 Ca 0.01 -0.88 -0.26 0.00 -2.55 0.00 0.00 55.97 52.29 1kpp s LYS 108 Cb -0.01 -3.19 -0.10 0.00 -1.05 0.00 0.00 37.83 33.48 1kpp s LYS 108 CO 0.02 -0.41 2.37 0.42 1.55 0.00 0.00 175.35 179.30 1kpp s ILE 109 N 1.43 3.04 -1.09 5.43 1.09 -1.26 -3.53 121.20 126.31 1kpp s ILE 109 Ca 0.02 -0.01 -0.06 0.00 -1.10 0.00 0.00 60.65 59.49 1kpp s ILE 109 Cb -0.17 -3.09 0.29 0.00 -1.06 0.00 0.00 42.46 38.43 1kpp s ILE 109 CO -0.01 -0.09 1.27 -1.22 -0.10 0.00 0.00 174.94 174.80 1kpp n TYR 110 N 17.08 3.88 -2.95 3.97 4.01 0.30 -4.81 117.16 138.64 1kpp n TYR 110 Ca 0.41 -3.32 -0.40 0.00 -0.16 0.00 0.00 57.90 54.43 1kpp n TYR 110 Cb 0.49 -1.48 -0.05 0.00 -0.31 0.00 0.00 39.34 37.99 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 -1.99 4.49 0.33 7.72 1.43 -1.26 -4.11 118.68 125.30 1kpp s LEU 111 Ca 0.31 1.54 0.15 0.00 -1.03 0.00 0.00 54.13 55.10 1kpp s LEU 111 Cb -0.03 -3.29 0.57 0.00 0.03 0.00 0.00 46.19 43.47 1kpp s LEU 111 CO 0.00 0.06 1.70 1.55 0.23 0.00 0.00 176.35 179.90 1kpp h PRO 112 N 5.30 0.00 0.01 1.29 0.13 -1.96 -0.80 132.00 135.97 1kpp h PRO 112 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1kpp h PRO 112 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1kpp h PRO 112 CO 0.70 0.47 -0.00 1.88 -0.23 0.00 0.00 178.00 180.82 1kpp h TYR 113 N 0.00 -0.01 -0.63 1.56 0.05 -1.94 -3.12 116.97 112.87 1kpp h TYR 113 Ca -0.00 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1kpp h TYR 113 Cb 0.93 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.65 1kpp h TYR 113 CO 0.00 0.55 0.27 1.25 -1.05 0.00 0.00 178.16 179.18 1kpp h LEU 114 N -0.99 0.86 -1.42 3.88 7.12 -1.94 -1.58 115.31 121.23 1kpp h LEU 114 Ca -0.00 -0.16 0.06 0.00 0.13 0.00 0.00 57.88 57.91 1kpp h LEU 114 Cb 0.57 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 40.44 1kpp h LEU 114 CO 0.00 0.78 0.45 -0.74 -0.13 0.00 0.00 178.44 178.80 1kpp h HIS 115 N 0.88 0.71 -0.69 1.25 2.76 -1.29 -0.57 115.15 118.20 1kpp h HIS 115 Ca 0.21 0.02 -0.25 0.00 -2.20 0.00 0.00 60.37 58.15 1kpp h HIS 115 Cb 0.18 -0.23 -0.15 0.00 1.55 0.00 0.00 27.41 28.76 1kpp h HIS 115 CO 0.01 0.38 0.27 -1.91 -1.30 0.00 0.00 177.93 175.38 1kpp n GLU 116 N -4.48 3.13 -3.82 5.26 0.00 -0.96 -4.92 120.64 114.86 1kpp n GLU 116 Ca 0.10 -3.07 -0.36 0.00 0.00 0.00 0.00 57.16 53.83 1kpp n GLU 116 Cb 0.22 -2.12 -0.13 0.00 0.00 0.00 0.00 31.44 29.41 1kpp n GLU 116 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 1kpp s TRP 117 N -3.07 3.06 0.00 4.31 -0.11 -0.22 -4.92 118.94 117.98 1kpp s TRP 117 Ca 0.53 -0.52 0.08 0.00 1.22 0.00 0.00 56.10 57.41 1kpp s TRP 117 Cb 0.43 -2.20 0.13 0.00 -1.50 0.00 0.00 33.47 30.34 1kpp s TRP 117 CO 0.11 -0.38 0.96 1.17 -4.62 0.00 0.00 176.95 174.19 1kpp n LYS 118 N 4.81 0.00 0.00 5.86 3.00 -1.26 -4.87 118.16 125.70 1kpp n LYS 118 Ca -0.17 -1.12 0.00 0.00 -0.00 0.00 0.00 58.31 57.02 1kpp n LYS 118 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 35.03 35.40 1kpp n LYS 118 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1kpp n HIS 119 N 0.15 0.00 0.02 5.64 1.44 -1.26 -4.73 115.22 116.48 1kpp n HIS 119 Ca -0.02 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.61 1kpp n HIS 119 Cb 0.80 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.78 1kpp n HIS 119 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1kpp h PRO 120 N 0.00 0.01 -2.08 -1.40 0.13 -2.03 -3.42 132.00 123.22 1kpp h PRO 120 Ca 0.00 -0.02 -0.59 0.00 -0.87 0.00 0.00 66.00 64.52 1kpp h PRO 120 Cb 0.00 0.01 -0.42 0.00 0.13 0.00 0.00 31.00 30.72 1kpp h PRO 120 CO 0.00 0.78 -0.68 1.04 -0.23 0.00 0.00 178.00 178.91 1kpp n GLN 121 N -3.22 3.25 -1.19 0.86 1.13 -1.26 -4.95 117.38 112.00 1kpp n GLN 121 Ca -0.08 -4.74 -0.35 0.00 -1.94 0.00 0.00 57.00 49.88 1kpp n GLN 121 Cb 1.00 -2.23 -0.02 0.00 0.11 0.00 0.00 30.24 29.09 1kpp n GLN 121 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1kpp n SER 122 N -0.30 5.98 -1.77 1.08 3.41 -1.26 -4.48 113.62 116.28 1kpp n SER 122 Ca 0.33 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1kpp n SER 122 Cb 0.47 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 1kpp n SER 122 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1kpp n ASP 123 N 4.69 0.66 0.03 4.04 2.03 -1.26 -4.90 116.55 121.85 1kpp n ASP 123 Ca 0.60 -0.88 -0.02 0.00 0.52 0.00 0.00 54.79 55.01 1kpp n ASP 123 Cb 0.25 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 40.89 1kpp n ASP 123 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1kpp h LEU 124 N 0.00 0.42 0.49 -2.67 5.85 -1.94 -2.15 115.31 115.31 1kpp h LEU 124 Ca 0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1kpp h LEU 124 Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1kpp h LEU 124 CO 0.00 0.65 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.32 1kpp h LEU 125 N 0.39 -0.93 -1.61 2.25 4.07 -1.94 -2.36 115.31 115.18 1kpp h LEU 125 Ca 0.06 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 1kpp h LEU 125 Cb 0.59 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 1kpp h LEU 125 CO 0.04 -0.53 -0.21 1.23 -1.08 0.00 0.00 178.44 177.89 1kpp h GLY 126 N -0.83 0.00 1.15 0.83 0.00 -1.77 -2.15 103.07 100.30 1kpp h GLY 126 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.38 1kpp h GLY 126 CO 0.02 0.00 0.33 -2.00 0.00 0.00 0.00 176.54 174.89 1kpp h LEU 127 N 0.00 0.15 -0.10 3.11 5.85 -0.86 0.90 115.31 124.36 1kpp h LEU 127 Ca -0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1kpp h LEU 127 Cb 0.38 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1kpp h LEU 127 CO 0.03 0.09 -0.91 0.40 -0.34 0.00 0.00 178.44 177.71 1kpp h ILE 128 N 0.17 1.62 0.00 4.05 1.08 -1.13 -3.21 117.51 120.08 1kpp h ILE 128 Ca 0.22 -3.17 -0.02 0.00 -0.39 0.00 0.00 64.86 61.51 1kpp h ILE 128 Cb 0.66 2.72 -0.00 0.00 -3.07 0.00 0.00 36.82 37.13 1kpp h ILE 128 CO -0.03 0.89 -0.08 -0.61 -0.69 0.00 0.00 178.15 177.63 1kpp h GLN 129 N 0.00 0.00 0.02 2.37 4.15 -0.78 0.24 115.11 121.10 1kpp h GLN 129 Ca -0.01 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.17 1kpp h GLN 129 Cb 1.65 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.35 1kpp h GLN 129 CO 0.12 0.08 -1.00 -0.24 -1.93 0.00 0.00 178.83 175.86 1kpp h VAL 130 N 0.00 1.37 0.09 2.39 3.04 -1.52 -3.09 116.25 118.54 1kpp h VAL 130 Ca -0.00 -2.45 -0.22 0.00 -1.01 0.00 0.00 66.70 63.02 1kpp h VAL 130 Cb 0.18 2.46 0.02 0.00 -2.01 0.00 0.00 31.29 31.95 1kpp h VAL 130 CO 0.01 0.73 -0.93 0.24 -1.01 0.00 0.00 177.57 176.62 1kpp h MET 131 N 0.26 0.47 -0.11 4.17 2.86 -1.44 -1.33 114.93 119.80 1kpp h MET 131 Ca -0.10 -0.62 0.03 0.00 -2.06 0.00 0.00 59.70 56.95 1kpp h MET 131 Cb 1.65 0.21 -0.00 0.00 0.06 0.00 0.00 31.60 33.51 1kpp h MET 131 CO 0.18 1.26 0.11 0.97 1.06 0.00 0.00 176.91 180.49 1kpp h ILE 132 N -0.03 0.59 0.00 -1.22 2.10 -0.65 0.42 117.51 118.73 1kpp h ILE 132 Ca -0.14 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.76 1kpp h ILE 132 Cb 1.66 0.91 -0.00 0.00 -1.09 0.00 0.00 36.82 38.29 1kpp h ILE 132 CO 0.18 0.00 -0.67 0.52 -1.08 0.00 0.00 178.15 177.10 1kpp n VAL 133 N -3.98 1.44 -0.06 2.19 0.31 -1.17 -2.47 118.33 114.60 1kpp n VAL 133 Ca -0.00 0.17 -0.07 0.00 -0.01 0.00 0.00 64.34 64.43 1kpp n VAL 133 Cb 0.22 -2.34 -0.01 0.00 -0.91 0.00 0.00 33.84 30.80 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 -1.16 -0.35 116.25 118.96 1kpp h VAL 134 Ca -0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1kpp h VAL 134 Cb 0.66 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1kpp h VAL 134 CO -0.03 0.00 -0.43 -0.26 0.02 0.00 0.00 177.57 176.87 1kpp h PHE 135 N -0.07 0.00 0.00 1.57 0.04 -0.36 -2.76 116.94 115.35 1kpp h PHE 135 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1kpp h PHE 135 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1kpp h PHE 135 CO -0.30 0.43 0.00 0.41 -0.60 0.00 0.00 178.31 178.25 1kpp n GLY 136 N 0.18 -1.18 0.11 -1.45 0.00 -0.24 -3.15 105.19 99.47 1kpp n GLY 136 Ca -0.01 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1kpp n GLY 136 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1kpp h ASP 137 N 0.00 0.11 -2.66 1.61 3.58 -0.99 -3.46 116.42 114.60 1kpp h ASP 137 Ca 0.00 -0.64 0.04 0.00 0.42 0.00 0.00 57.03 56.85 1kpp h ASP 137 Cb 0.32 -0.04 -0.21 0.00 1.72 0.00 0.00 39.33 41.13 1kpp h ASP 137 CO 0.00 1.54 -0.00 -1.83 -2.88 0.00 0.00 179.24 176.07 1kpp s GLU 138 N -2.40 0.65 -0.44 0.28 4.04 -1.19 -5.06 118.70 114.58 1kpp s GLU 138 Ca -0.26 1.26 -0.34 0.00 0.04 0.00 0.00 54.97 55.67 1kpp s GLU 138 Cb 0.05 0.36 -0.12 0.00 0.02 0.00 0.00 34.13 34.44 1kpp s GLU 138 CO 0.64 -0.16 2.28 -0.35 -1.84 0.00 0.00 175.26 175.83 1kpp n PRO 139 N 4.63 0.94 -0.45 -4.83 -0.04 -1.26 -4.63 135.00 129.37 1kpp n PRO 139 Ca -0.17 0.22 -0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1kpp n PRO 139 Cb 0.56 -2.48 0.14 0.00 -0.04 0.00 0.00 33.50 31.68 1kpp n PRO 139 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1kpp n PRO 140 N 8.33 2.26 0.00 0.54 -0.04 -1.26 -3.62 135.00 141.20 1kpp n PRO 140 Ca 0.44 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 1kpp n PRO 140 Cb 0.25 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.09 0.00 0.00 0.52 0.31 -1.26 -3.85 118.33 114.14 1kpp n VAL 141 Ca 0.17 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1kpp n VAL 141 Cb 0.80 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 -0.38 0.00 -2.12 3.52 7.35 -1.24 -3.68 117.46 120.90 1kpp n PHE 142 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1kpp n PHE 142 Cb 0.01 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.85 1kpp n PHE 142 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1kpp n SER 143 N 0.00 -0.26 -1.43 -2.13 2.88 -1.26 -2.80 113.62 108.62 1kpp n SER 143 Ca 0.00 -0.87 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 1kpp n SER 143 Cb 0.00 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1kpp n SER 143 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1kpp n ARG 144 N -0.18 -3.97 0.00 -1.46 0.63 -1.26 -4.86 116.66 105.56 1kpp n ARG 144 Ca -0.05 3.00 0.00 0.00 -0.92 0.00 0.00 57.85 59.89 1kpp n ARG 144 Cb 0.47 -3.52 0.00 0.00 0.45 0.00 0.00 32.46 29.86 1kpp n ARG 144 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82