#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mkk s VAL 14 N 0.00 1.60 -0.05 3.17 1.01 -1.26 -5.12 120.40 119.76 1mkk s VAL 14 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1mkk s VAL 14 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1mkk s VAL 14 CO 0.00 0.46 1.35 -0.69 0.00 0.00 0.00 175.10 176.22 1mkk s VAL 15 N 0.98 3.92 0.51 2.92 1.01 -1.26 -4.98 120.40 123.50 1mkk s VAL 15 Ca -0.06 1.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.96 1mkk s VAL 15 Cb -0.15 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 1mkk s VAL 15 CO -0.02 -0.03 1.13 -1.59 0.00 0.00 0.00 175.10 174.59 1mkk s LYS 16 N 2.68 3.51 0.23 2.72 -2.85 -1.26 -4.77 119.74 120.00 1mkk s LYS 16 Ca 0.61 1.64 -0.07 0.00 -1.00 0.00 0.00 55.97 57.14 1mkk s LYS 16 Cb -0.28 -2.13 0.38 0.00 -2.06 0.00 0.00 37.83 33.74 1mkk s LYS 16 CO 0.24 -0.72 1.69 0.35 0.10 0.00 0.00 175.35 177.00 1mkk h PHE 17 N 1.48 0.20 -0.21 1.78 3.57 -1.99 -0.50 116.94 121.28 1mkk h PHE 17 Ca -0.50 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 1mkk h PHE 17 Cb 1.25 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1mkk h PHE 17 CO 0.52 -0.08 -0.09 0.52 -2.23 0.00 0.00 178.31 176.95 1mkk h MET 18 N 0.25 0.33 -0.25 1.11 2.86 -1.99 0.11 114.93 117.34 1mkk h MET 18 Ca 0.37 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.83 1mkk h MET 18 Cb 0.60 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 1mkk h MET 18 CO -0.48 0.44 -0.23 -0.44 1.06 0.00 0.00 176.91 177.26 1mkk h ASP 19 N 0.32 0.64 0.02 1.22 3.32 -1.52 -1.81 116.42 118.61 1mkk h ASP 19 Ca 0.07 -0.47 0.02 0.00 0.02 0.00 0.00 57.03 56.67 1mkk h ASP 19 Cb 0.37 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1mkk h ASP 19 CO 0.02 0.97 -0.11 0.58 -1.72 0.00 0.00 179.24 178.98 1mkk h VAL 20 N 0.32 0.72 -0.65 -1.35 2.07 -0.40 0.11 116.25 117.07 1mkk h VAL 20 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1mkk h VAL 20 Cb 0.78 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1mkk h VAL 20 CO 0.06 0.00 0.42 0.22 0.02 0.00 0.00 177.57 178.28 1mkk h TYR 21 N -0.21 0.78 -0.50 1.57 3.20 -0.81 -2.01 116.97 118.99 1mkk h TYR 21 Ca 0.03 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 1mkk h TYR 21 Cb 0.25 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1mkk h TYR 21 CO -0.16 0.47 -0.14 1.96 -1.64 0.00 0.00 178.16 178.64 1mkk h GLN 22 N 0.83 0.95 0.00 1.82 4.20 -1.04 -3.00 115.11 118.87 1mkk h GLN 22 Ca 0.25 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1mkk h GLN 22 Cb -0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1mkk h GLN 22 CO -0.08 1.02 -0.30 0.00 -0.67 0.00 0.00 178.83 178.80 1mkk h ARG 23 N 0.84 0.00 0.00 1.46 3.08 -0.38 -2.38 114.38 117.00 1mkk h ARG 23 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1mkk h ARG 23 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1mkk h ARG 23 CO 0.05 0.30 -0.19 0.43 -1.07 0.00 0.00 179.97 179.49 1mkk n SER 24 N -3.86 0.45 -4.77 7.04 7.64 -0.79 -4.88 113.62 114.44 1mkk n SER 24 Ca -0.02 0.33 -0.40 0.00 1.01 0.00 0.00 58.87 59.79 1mkk n SER 24 Cb 0.38 -0.35 -0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1mkk n SER 24 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1mkk s TYR 25 N -3.06 2.92 -0.22 1.43 6.14 -0.90 -4.33 117.35 119.34 1mkk s TYR 25 Ca 0.11 1.37 -0.20 0.00 0.64 0.00 0.00 57.07 58.99 1mkk s TYR 25 Cb 0.16 -3.74 -0.09 0.00 0.42 0.00 0.00 41.96 38.71 1mkk s TYR 25 CO 0.61 -2.10 0.78 0.00 0.64 0.00 0.00 175.55 175.48 1mkk s HIS 27 N 1.72 -0.46 0.23 0.00 -3.43 -0.91 -4.69 115.29 107.74 1mkk s HIS 27 Ca 0.48 0.20 -0.30 0.00 -0.80 0.00 0.00 55.06 54.65 1mkk s HIS 27 Cb -0.66 0.59 -0.09 0.00 -1.43 0.00 0.00 32.58 30.99 1mkk s HIS 27 CO 0.34 -0.92 1.29 -2.14 -2.00 0.00 0.00 174.74 171.31 1mkk s PRO 28 N -3.76 4.40 -0.00 -0.38 0.02 -1.26 -1.29 135.00 132.73 1mkk s PRO 28 Ca 0.03 2.06 0.03 0.00 0.02 0.00 0.00 61.00 63.14 1mkk s PRO 28 Cb -0.02 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 1mkk s PRO 28 CO -0.09 -0.20 -0.09 0.42 -0.33 0.00 0.00 177.00 176.71 1mkk s ILE 29 N -0.21 0.71 0.09 2.83 1.01 -0.04 -4.83 121.20 120.77 1mkk s ILE 29 Ca 0.54 -0.46 -0.32 0.00 0.00 0.00 0.00 60.65 60.41 1mkk s ILE 29 Cb -0.37 -0.61 -0.11 0.00 0.01 0.00 0.00 42.46 41.38 1mkk s ILE 29 CO 0.41 0.15 1.83 1.21 0.00 0.00 0.00 174.94 178.54 1mkk n GLU 30 N 2.71 2.65 -4.00 2.79 2.13 -1.26 -1.36 120.64 124.29 1mkk n GLU 30 Ca -0.14 0.96 -0.18 0.00 0.66 0.00 0.00 57.16 58.46 1mkk n GLU 30 Cb 0.57 -2.85 -0.16 0.00 0.27 0.00 0.00 31.44 29.27 1mkk n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1mkk s THR 31 N 2.89 0.29 -0.08 6.31 2.01 0.23 -4.93 115.64 122.36 1mkk s THR 31 Ca 0.84 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 1mkk s THR 31 Cb -0.53 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1mkk s THR 31 CO 0.40 0.17 1.12 -0.76 -0.69 0.00 0.00 174.62 174.86 1mkk s LEU 32 N 1.00 4.26 -0.12 4.42 1.43 -1.26 -0.85 118.68 127.56 1mkk s LEU 32 Ca -0.10 1.70 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 1mkk s LEU 32 Cb -0.14 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.54 1mkk s LEU 32 CO -0.01 -0.53 -0.16 -0.69 0.23 0.00 0.00 176.35 175.19 1mkk s VAL 33 N 2.14 1.57 0.18 -1.59 1.01 -0.11 -4.93 120.40 118.67 1mkk s VAL 33 Ca 0.53 -0.67 -0.32 0.00 0.00 0.00 0.00 61.98 61.52 1mkk s VAL 33 Cb -0.22 -1.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.62 1mkk s VAL 33 CO 0.20 0.45 1.61 -0.62 0.00 0.00 0.00 175.10 176.75 1mkk s ASP 34 N 1.08 6.52 0.21 3.32 -1.08 -1.26 -1.13 116.67 124.33 1mkk s ASP 34 Ca -0.04 2.70 -0.09 0.00 -0.52 0.00 0.00 52.55 54.60 1mkk s ASP 34 Cb -0.14 -2.60 0.16 0.00 -1.46 0.00 0.00 42.92 38.87 1mkk s ASP 34 CO -0.04 -0.87 1.82 0.40 0.52 0.00 0.00 175.17 177.00 1mkk h ILE 35 N 3.92 1.24 -0.55 4.11 2.04 -1.56 -1.82 117.51 124.89 1mkk h ILE 35 Ca -0.43 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 64.89 1mkk h ILE 35 Cb 1.20 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1mkk h ILE 35 CO 0.92 0.27 0.37 0.15 0.00 0.00 0.00 178.15 179.86 1mkk h PHE 36 N 1.08 0.42 -0.51 1.37 3.57 -1.84 -0.56 116.94 120.47 1mkk h PHE 36 Ca 0.27 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1mkk h PHE 36 Cb 0.07 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1mkk h PHE 36 CO 0.00 0.22 0.27 0.37 -2.23 0.00 0.00 178.31 176.94 1mkk h GLN 37 N 0.41 0.69 0.00 1.11 4.15 -1.71 -2.52 115.11 117.24 1mkk h GLN 37 Ca 0.25 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1mkk h GLN 37 Cb 0.43 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1mkk h GLN 37 CO -0.07 0.52 -0.69 0.93 -1.93 0.00 0.00 178.83 177.59 1mkk h GLU 38 N 0.70 0.00 -2.13 1.69 4.39 -1.12 -3.38 114.58 114.73 1mkk h GLU 38 Ca 0.18 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.32 1mkk h GLU 38 Cb 0.02 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.27 1mkk h GLU 38 CO -0.03 0.00 -0.85 0.66 -1.16 0.00 0.00 179.01 177.63 1mkk n TYR 39 N -2.55 2.04 0.30 4.33 4.02 -0.36 -4.95 117.16 119.99 1mkk n TYR 39 Ca 0.02 -3.90 0.18 0.00 -0.01 0.00 0.00 57.90 54.19 1mkk n TYR 39 Cb 0.51 -0.46 0.89 0.00 -0.02 0.00 0.00 39.34 40.25 1mkk n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1mkk h PRO 40 N 3.64 0.00 -0.17 -0.72 0.13 -1.66 -1.54 132.00 131.68 1mkk h PRO 40 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1mkk h PRO 40 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1mkk h PRO 40 CO 0.67 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 1mkk n ASP 41 N -2.90 1.00 -2.60 1.44 8.00 -1.26 -4.09 116.55 116.14 1mkk n ASP 41 Ca -0.01 -1.90 -0.28 0.00 0.71 0.00 0.00 54.79 53.31 1mkk n ASP 41 Cb 0.16 -0.11 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1mkk n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mkk n GLU 42 N 0.01 3.38 0.24 -1.24 1.02 -0.58 -4.84 120.64 118.63 1mkk n GLU 42 Ca 0.08 -4.49 0.11 0.00 -0.02 0.00 0.00 57.16 52.84 1mkk n GLU 42 Cb 0.17 -2.25 0.60 0.00 -0.02 0.00 0.00 31.44 29.94 1mkk n GLU 42 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1mkk h ILE 43 N 2.59 0.64 -0.00 -3.67 2.10 -1.80 -2.79 117.51 114.58 1mkk h ILE 43 Ca 0.30 -0.80 0.00 0.00 1.08 0.00 0.00 64.86 65.43 1mkk h ILE 43 Cb 0.78 1.52 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 1mkk h ILE 43 CO 0.90 0.18 -0.17 -1.84 -1.08 0.00 0.00 178.15 176.13 1mkk n GLU 44 N -3.61 0.22 -3.29 2.19 0.28 -1.26 -4.91 120.64 110.26 1mkk n GLU 44 Ca -0.01 -0.07 -0.33 0.00 -0.16 0.00 0.00 57.16 56.59 1mkk n GLU 44 Cb 0.32 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.63 1mkk n GLU 44 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1mkk s TYR 45 N -2.83 3.43 -0.18 -1.84 1.51 -1.06 -4.51 117.35 111.88 1mkk s TYR 45 Ca 0.18 1.04 -0.08 0.00 -1.01 0.00 0.00 57.07 57.20 1mkk s TYR 45 Cb 0.19 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1mkk s TYR 45 CO 0.56 0.23 0.08 0.42 -1.11 0.00 0.00 175.55 175.73 1mkk s ILE 46 N -1.83 4.99 -0.06 2.71 1.09 0.06 -4.96 121.20 123.20 1mkk s ILE 46 Ca 0.49 0.03 0.01 0.00 -1.10 0.00 0.00 60.65 60.08 1mkk s ILE 46 Cb -0.11 -3.24 -0.03 0.00 -1.06 0.00 0.00 42.46 38.01 1mkk s ILE 46 CO 0.20 0.47 -0.08 -0.36 -0.10 0.00 0.00 174.94 175.07 1mkk s PHE 47 N 0.21 2.89 -0.12 3.97 0.08 -1.26 -0.88 117.98 122.87 1mkk s PHE 47 Ca 0.06 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.10 1mkk s PHE 47 Cb -0.12 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 1mkk s PHE 47 CO -0.00 0.30 -0.12 0.15 -0.10 0.00 0.00 175.22 175.45 1mkk s LYS 48 N -0.79 1.99 0.94 0.44 1.02 -0.16 -2.78 119.74 120.39 1mkk s LYS 48 Ca 0.12 -0.45 -0.12 0.00 0.02 0.00 0.00 55.97 55.54 1mkk s LYS 48 Cb -0.11 -1.84 0.15 0.00 -0.52 0.00 0.00 37.83 35.52 1mkk s LYS 48 CO 0.01 -0.18 1.09 -1.25 -0.92 0.00 0.00 175.35 174.10 1mkk s PRO 49 N 1.37 0.92 0.29 -1.68 0.04 -1.26 -1.28 135.00 133.40 1mkk s PRO 49 Ca 0.01 0.83 0.24 0.00 0.04 0.00 0.00 61.00 62.12 1mkk s PRO 49 Cb -0.13 -1.77 0.42 0.00 0.04 0.00 0.00 34.50 33.05 1mkk s PRO 49 CO -0.07 -2.47 1.52 0.66 0.04 0.00 0.00 177.00 176.68 1mkk h SER 50 N -1.72 0.00 -4.82 6.66 4.64 -1.93 -3.46 113.55 112.92 1mkk h SER 50 Ca -0.51 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 60.59 1mkk h SER 50 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 1mkk h SER 50 CO 0.54 0.02 -0.69 0.00 -0.87 0.00 0.00 176.83 175.82 1mkk s VAL 52 N -3.58 0.67 -0.10 0.00 -7.23 -0.28 -4.90 120.40 104.97 1mkk s VAL 52 Ca 0.09 -1.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 1mkk s VAL 52 Cb 0.05 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 1mkk s VAL 52 CO -0.06 -0.28 1.07 -2.16 -0.31 0.00 0.00 175.10 173.35 1mkk s PRO 53 N -1.45 4.39 0.05 4.82 0.04 -1.26 -0.93 135.00 140.65 1mkk s PRO 53 Ca -0.07 1.47 0.05 0.00 0.04 0.00 0.00 61.00 62.49 1mkk s PRO 53 Cb -0.09 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 1mkk s PRO 53 CO 0.01 -0.39 -0.13 -0.51 0.04 0.00 0.00 177.00 176.02 1mkk s LEU 54 N 2.20 2.20 -0.16 -3.56 1.43 -0.03 -4.89 118.68 115.87 1mkk s LEU 54 Ca 0.50 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 1mkk s LEU 54 Cb -0.20 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.47 1mkk s LEU 54 CO 0.18 -0.01 1.18 -0.04 0.23 0.00 0.00 176.35 177.89 1mkk s MET 55 N -1.30 4.27 -0.01 1.70 -1.94 -1.26 -0.60 119.30 120.16 1mkk s MET 55 Ca -0.00 1.57 0.01 0.00 -1.71 0.00 0.00 55.69 55.55 1mkk s MET 55 Cb -0.08 -3.69 0.00 0.00 2.01 0.00 0.00 34.83 33.07 1mkk s MET 55 CO 0.01 -0.62 -0.02 1.03 -0.01 0.00 0.00 175.02 175.41 1mkk s ARG 56 N 3.14 0.21 0.34 2.03 1.81 -0.47 -0.44 118.95 125.57 1mkk s ARG 56 Ca 0.52 -0.06 -0.29 0.00 -1.72 0.00 0.00 55.73 54.18 1mkk s ARG 56 Cb -0.20 -0.23 -0.12 0.00 -0.45 0.00 0.00 34.95 33.95 1mkk s ARG 56 CO 0.14 0.03 1.45 0.00 -0.68 0.00 0.00 175.30 176.23 1mkk s GLY 58 N -0.02 -0.14 0.29 0.00 0.00 -0.42 -4.87 107.32 102.16 1mkk s GLY 58 Ca 0.57 0.42 -0.07 0.00 0.00 0.00 0.00 44.72 45.65 1mkk s GLY 58 CO 0.59 0.27 0.44 -0.32 0.00 0.00 0.00 173.10 174.09 1mkk s GLY 59 N -0.71 1.06 0.26 0.20 0.00 -1.26 -2.14 107.32 104.72 1mkk s GLY 59 Ca -0.08 -1.26 -0.29 0.00 0.00 0.00 0.00 44.72 43.09 1mkk s GLY 59 CO 0.02 -0.88 1.22 0.00 0.00 0.00 0.00 173.10 173.46 1mkk s ALA 61 N -0.72 3.67 0.15 0.00 0.00 -1.26 -5.00 121.76 118.60 1mkk s ALA 61 Ca 0.49 1.57 -0.05 0.00 0.00 0.00 0.00 51.96 53.98 1mkk s ALA 61 Cb -0.35 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.11 1mkk s ALA 61 CO 0.43 -1.01 0.17 0.54 0.00 0.00 0.00 175.76 175.89 1mkk s ASN 62 N 0.23 0.18 -0.24 0.00 2.20 -1.26 -5.04 114.94 111.01 1mkk s ASN 62 Ca 0.59 -1.04 0.14 0.00 -0.94 0.00 0.00 52.86 51.60 1mkk s ASN 62 Cb -0.47 0.36 0.68 0.00 -2.00 0.00 0.00 41.25 39.82 1mkk s ASN 62 CO 0.54 -0.81 1.63 0.47 -2.94 0.00 0.00 177.10 175.99 1mkk n ASP 63 N -0.15 4.62 -1.15 3.54 8.00 -1.26 -4.44 116.55 125.70 1mkk n ASP 63 Ca -0.06 -3.10 0.09 0.00 0.71 0.00 0.00 54.79 52.43 1mkk n ASP 63 Cb 0.63 -0.65 0.27 0.00 -0.02 0.00 0.00 41.12 41.36 1mkk n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mkk n GLU 64 N -0.11 3.06 -1.32 -1.24 1.02 -1.26 -4.96 120.64 115.83 1mkk n GLU 64 Ca 0.29 -2.54 -0.11 0.00 -0.02 0.00 0.00 57.16 54.78 1mkk n GLU 64 Cb 1.12 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.92 1mkk n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mkk n GLY 65 N 0.97 1.21 3.86 0.62 0.00 -1.26 -5.01 105.19 105.58 1mkk n GLY 65 Ca 0.20 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1mkk n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mkk s LEU 66 N -2.48 4.40 0.10 0.99 1.43 -1.26 -4.33 118.68 117.53 1mkk s LEU 66 Ca 0.00 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 53.96 1mkk s LEU 66 Cb 0.00 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1mkk s LEU 66 CO 0.00 0.25 -0.15 -1.83 0.23 0.00 0.00 176.35 174.86 1mkk s GLU 67 N -1.54 0.95 -0.32 1.70 -1.05 0.11 -4.77 118.70 113.80 1mkk s GLU 67 Ca 0.28 -1.12 -0.17 0.00 -0.15 0.00 0.00 54.97 53.80 1mkk s GLU 67 Cb -0.15 -0.92 -0.01 0.00 -0.44 0.00 0.00 34.13 32.61 1mkk s GLU 67 CO 0.15 0.19 0.49 0.00 0.95 0.00 0.00 175.26 177.04 1mkk s VAL 69 N 2.31 2.03 0.28 0.00 -7.23 -0.20 -4.79 120.40 112.80 1mkk s VAL 69 Ca 0.19 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 1mkk s VAL 69 Cb -0.16 -1.83 -0.09 0.00 0.56 0.00 0.00 36.38 34.86 1mkk s VAL 69 CO 0.12 -0.01 1.06 -2.16 -0.31 0.00 0.00 175.10 173.79 1mkk s PRO 70 N -2.11 4.66 0.00 4.82 0.04 -1.26 -1.02 135.00 140.14 1mkk s PRO 70 Ca 0.12 1.71 0.05 0.00 0.04 0.00 0.00 61.00 62.91 1mkk s PRO 70 Cb -0.10 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1mkk s PRO 70 CO 0.06 0.26 0.38 0.25 0.04 0.00 0.00 177.00 177.99 1mkk n THR 71 N 1.17 0.00 -3.72 1.26 -2.24 0.12 -4.88 114.28 105.98 1mkk n THR 71 Ca -0.01 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 1mkk n THR 71 Cb 0.46 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.62 1mkk n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1mkk s GLU 72 N -1.04 0.41 0.09 -0.78 2.12 -1.18 -4.92 118.70 113.40 1mkk s GLU 72 Ca 0.03 0.63 0.01 0.00 0.36 0.00 0.00 54.97 56.01 1mkk s GLU 72 Cb 0.04 0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.49 1mkk s GLU 72 CO 0.14 -0.10 -0.06 -1.21 -0.54 0.00 0.00 175.26 173.49 1mkk s GLU 73 N 0.74 0.79 0.29 4.30 2.02 -1.26 -0.40 118.70 125.18 1mkk s GLU 73 Ca -0.04 -1.30 -0.15 0.00 0.02 0.00 0.00 54.97 53.50 1mkk s GLU 73 Cb -0.05 -0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.04 1mkk s GLU 73 CO -0.05 -0.03 0.61 -1.54 0.02 0.00 0.00 175.26 174.27 1mkk s SER 74 N -2.98 -0.03 0.14 -0.19 1.04 -0.65 -4.90 113.70 106.13 1mkk s SER 74 Ca 0.10 -0.91 0.09 0.00 0.48 0.00 0.00 55.95 55.71 1mkk s SER 74 Cb 0.05 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 1mkk s SER 74 CO -0.05 -1.32 -0.15 0.20 0.98 0.00 0.00 173.24 172.90 1mkk s ASN 75 N -3.02 4.04 -0.03 7.02 0.01 -1.26 -0.40 114.94 121.31 1mkk s ASN 75 Ca 0.18 -0.57 0.04 0.00 -0.71 0.00 0.00 52.86 51.80 1mkk s ASN 75 Cb -0.03 -0.62 -0.00 0.00 0.41 0.00 0.00 41.25 41.00 1mkk s ASN 75 CO 0.10 0.15 -0.14 -0.51 -1.51 0.00 0.00 177.10 175.19 1mkk s ILE 76 N -1.38 1.13 -0.14 0.60 2.07 -0.05 -4.93 121.20 118.50 1mkk s ILE 76 Ca 0.21 -0.57 -0.04 0.00 -1.41 0.00 0.00 60.65 58.85 1mkk s ILE 76 Cb -0.10 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 1mkk s ILE 76 CO 0.12 0.33 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.59 1mkk s THR 77 N 0.02 4.18 0.02 4.00 2.01 -1.26 -0.65 115.64 123.95 1mkk s THR 77 Ca -0.02 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.76 1mkk s THR 77 Cb -0.09 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 1mkk s THR 77 CO 0.01 0.52 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.28 1mkk s MET 78 N -0.00 0.96 -0.18 4.92 1.00 0.01 -4.94 119.30 121.07 1mkk s MET 78 Ca 0.02 -0.66 -0.29 0.00 0.00 0.00 0.00 55.69 54.77 1mkk s MET 78 Cb -0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 34.83 33.74 1mkk s MET 78 CO 0.02 0.24 1.16 -0.65 0.00 0.00 0.00 175.02 175.80 1mkk s GLN 79 N -0.86 4.26 -0.02 2.03 -0.21 -1.26 -0.86 119.66 122.74 1mkk s GLN 79 Ca 0.02 1.53 0.07 0.00 0.02 0.00 0.00 55.36 57.01 1mkk s GLN 79 Cb -0.07 -3.69 -0.02 0.00 1.00 0.00 0.00 33.01 30.23 1mkk s GLN 79 CO 0.01 -0.64 -0.24 0.42 -2.12 0.00 0.00 175.29 172.71 1mkk s ILE 80 N 3.24 1.89 -0.03 1.08 -1.09 0.01 -4.91 121.20 121.38 1mkk s ILE 80 Ca 0.50 -1.02 -0.29 0.00 -2.23 0.00 0.00 60.65 57.61 1mkk s ILE 80 Cb -0.19 -1.57 -0.03 0.00 -1.58 0.00 0.00 42.46 39.10 1mkk s ILE 80 CO 0.12 0.53 0.94 -0.32 -1.23 0.00 0.00 174.94 174.98 1mkk s MET 81 N -0.56 4.51 -0.13 2.79 -2.45 -0.41 -1.04 119.30 122.01 1mkk s MET 81 Ca 0.09 1.33 0.01 0.00 -1.25 0.00 0.00 55.69 55.87 1mkk s MET 81 Cb -0.09 -3.48 0.02 0.00 1.25 0.00 0.00 34.83 32.53 1mkk s MET 81 CO -0.01 -0.09 -0.16 1.03 1.05 0.00 0.00 175.02 176.83 1mkk s ARG 82 N 1.20 2.44 -0.06 4.11 0.52 0.45 -0.99 118.95 126.64 1mkk s ARG 82 Ca 0.49 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 1mkk s ARG 82 Cb -0.20 -2.11 0.02 0.00 0.52 0.00 0.00 34.95 33.18 1mkk s ARG 82 CO 0.24 -0.12 -0.08 0.42 0.02 0.00 0.00 175.30 175.79 1mkk s ILE 83 N 1.14 0.80 0.21 1.52 1.09 -0.06 -1.56 121.20 124.34 1mkk s ILE 83 Ca -0.02 -0.26 -0.01 0.00 -1.10 0.00 0.00 60.65 59.26 1mkk s ILE 83 Cb -0.14 -0.78 -0.04 0.00 -1.06 0.00 0.00 42.46 40.44 1mkk s ILE 83 CO -0.05 0.29 0.40 -0.54 -0.10 0.00 0.00 174.94 174.93 1mkk s LYS 84 N 0.91 3.53 0.05 2.79 1.02 -1.26 -0.76 119.74 126.01 1mkk s LYS 84 Ca -0.11 -0.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 1mkk s LYS 84 Cb -0.15 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 1mkk s LYS 84 CO 0.01 0.39 0.48 -2.30 -0.92 0.00 0.00 175.35 173.01 1mkk n PRO 85 N -0.68 -0.13 -0.10 -1.68 -0.02 -1.26 -1.52 135.00 129.61 1mkk n PRO 85 Ca -0.05 0.47 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 1mkk n PRO 85 Cb 0.54 -0.70 0.04 0.00 -0.02 0.00 0.00 33.50 33.36 1mkk n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1mkk n HIS 86 N -4.40 0.00 -2.69 6.00 8.25 -1.26 -5.06 115.22 116.06 1mkk n HIS 86 Ca 0.01 -0.47 -0.24 0.00 -0.26 0.00 0.00 57.72 56.77 1mkk n HIS 86 Cb 0.09 -0.07 0.03 0.00 1.12 0.00 0.00 29.99 31.16 1mkk n HIS 86 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1mkk s GLN 87 N -1.19 2.82 0.76 -0.41 -0.21 -0.57 -5.08 119.66 115.77 1mkk s GLN 87 Ca 0.09 -0.43 -0.12 0.00 0.02 0.00 0.00 55.36 54.93 1mkk s GLN 87 Cb 0.08 -2.44 0.05 0.00 1.00 0.00 0.00 33.01 31.70 1mkk s GLN 87 CO 0.01 -0.57 1.10 0.20 -2.12 0.00 0.00 175.29 173.91 1mkk s GLY 88 N -4.32 1.62 0.09 3.09 0.00 -1.26 -4.50 107.32 102.04 1mkk s GLY 88 Ca 0.53 -0.31 -0.31 0.00 0.00 0.00 0.00 44.72 44.63 1mkk s GLY 88 CO 0.40 0.10 1.41 1.20 0.00 0.00 0.00 173.10 176.21 1mkk s GLN 89 N -5.28 4.30 0.15 2.90 -0.21 -1.26 -4.58 119.66 115.68 1mkk s GLN 89 Ca 0.60 2.07 0.07 0.00 0.02 0.00 0.00 55.36 58.12 1mkk s GLN 89 Cb -0.13 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 1mkk s GLN 89 CO 0.53 -0.49 -0.02 -1.01 -2.12 0.00 0.00 175.29 172.17 1mkk s HIS 90 N 1.49 2.84 -0.17 0.91 3.76 -0.60 -4.97 115.29 118.55 1mkk s HIS 90 Ca 0.65 -0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 55.42 1mkk s HIS 90 Cb -0.36 -1.41 -0.01 0.00 1.11 0.00 0.00 32.58 31.91 1mkk s HIS 90 CO 0.30 0.49 -0.10 0.42 -0.85 0.00 0.00 174.74 175.00 1mkk s ILE 91 N -1.56 3.07 0.03 0.60 -1.09 -1.26 -0.41 121.20 120.58 1mkk s ILE 91 Ca 0.26 -0.62 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 1mkk s ILE 91 Cb -0.10 -2.34 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 1mkk s ILE 91 CO 0.17 0.48 -0.06 -0.83 -1.23 0.00 0.00 174.94 173.48 1mkk s GLY 92 N 0.93 0.37 0.06 6.18 0.00 -0.21 -4.92 107.32 109.72 1mkk s GLY 92 Ca -0.02 -0.58 -0.31 0.00 0.00 0.00 0.00 44.72 43.82 1mkk s GLY 92 CO -0.00 -0.61 1.33 -0.54 0.00 0.00 0.00 173.10 173.27 1mkk s GLU 93 N -1.19 4.34 -0.03 2.90 2.02 -1.26 -0.81 118.70 124.68 1mkk s GLU 93 Ca -0.09 1.93 0.03 0.00 0.02 0.00 0.00 54.97 56.87 1mkk s GLU 93 Cb -0.08 -3.38 -0.00 0.00 0.10 0.00 0.00 34.13 30.76 1mkk s GLU 93 CO -0.00 -0.42 -0.13 -1.64 0.02 0.00 0.00 175.26 173.09 1mkk s MET 94 N 1.51 1.23 -0.12 1.61 -1.94 -0.04 -4.95 119.30 116.60 1mkk s MET 94 Ca 0.62 -0.44 -0.07 0.00 -1.71 0.00 0.00 55.69 54.09 1mkk s MET 94 Cb -0.32 -1.13 -0.04 0.00 2.01 0.00 0.00 34.83 35.35 1mkk s MET 94 CO 0.28 0.20 0.13 -1.12 -0.01 0.00 0.00 175.02 174.51 1mkk s SER 95 N 0.01 6.33 0.01 3.03 0.01 -1.26 -0.81 113.70 121.03 1mkk s SER 95 Ca -0.01 0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.73 1mkk s SER 95 Cb -0.08 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 1mkk s SER 95 CO 0.01 0.41 -0.10 -0.36 0.41 0.00 0.00 173.24 173.60 1mkk s PHE 96 N -1.01 0.87 0.09 2.43 0.08 0.17 -4.96 117.98 115.66 1mkk s PHE 96 Ca 0.15 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.64 1mkk s PHE 96 Cb -0.12 -0.54 -0.05 0.00 -0.57 0.00 0.00 43.02 41.74 1mkk s PHE 96 CO 0.04 -0.01 0.95 -1.17 -0.10 0.00 0.00 175.22 174.93 1mkk s LEU 97 N -0.69 4.48 0.16 -0.37 2.96 -1.26 -0.87 118.68 123.08 1mkk s LEU 97 Ca 0.01 1.76 0.10 0.00 -0.22 0.00 0.00 54.13 55.77 1mkk s LEU 97 Cb -0.06 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1mkk s LEU 97 CO 0.00 -0.09 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.62 1mkk s GLN 98 N 0.13 1.36 -0.21 1.98 -0.21 0.47 -4.81 119.66 118.37 1mkk s GLN 98 Ca 0.47 -1.39 -0.09 0.00 0.02 0.00 0.00 55.36 54.37 1mkk s GLN 98 Cb -0.23 -1.65 -0.04 0.00 1.00 0.00 0.00 33.01 32.08 1mkk s GLN 98 CO 0.29 0.37 0.10 -1.01 -2.12 0.00 0.00 175.29 172.92 1mkk s HIS 99 N -1.53 3.29 -0.13 0.91 3.76 0.41 -1.64 115.29 120.36 1mkk s HIS 99 Ca 0.15 0.14 0.18 0.00 -0.15 0.00 0.00 55.06 55.38 1mkk s HIS 99 Cb -0.08 -2.16 -0.26 0.00 1.11 0.00 0.00 32.58 31.19 1mkk s HIS 99 CO 0.07 0.13 0.19 0.09 -0.85 0.00 0.00 174.74 174.37 1mkk n ASN 100 N 3.83 0.39 -3.84 1.40 4.13 0.46 -4.58 115.26 117.06 1mkk n ASN 100 Ca -0.16 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 55.99 1mkk n ASN 100 Cb 0.52 1.29 -0.09 0.00 -1.54 0.00 0.00 39.78 39.96 1mkk n ASN 100 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1mkk s LYS 101 N -2.77 0.59 0.04 3.52 1.02 -1.16 -4.87 119.74 116.12 1mkk s LYS 101 Ca -0.09 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 1mkk s LYS 101 Cb 0.08 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.61 1mkk s LYS 101 CO 0.79 -0.16 -0.01 0.00 -0.92 0.00 0.00 175.35 175.05 1mkk s GLU 103 N -3.33 0.46 0.11 0.00 2.02 -0.18 -4.84 118.70 112.94 1mkk s GLU 103 Ca 0.01 -0.31 -0.30 0.00 0.02 0.00 0.00 54.97 54.40 1mkk s GLU 103 Cb 0.04 0.19 -0.06 0.00 0.10 0.00 0.00 34.13 34.40 1mkk s GLU 103 CO -0.08 -0.11 0.94 0.00 0.02 0.00 0.00 175.26 176.04 1mkk s ALA 104 N -1.21 3.26 0.06 5.21 0.00 -1.26 -1.04 121.76 126.78 1mkk s ALA 104 Ca -0.13 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 1mkk s ALA 104 Cb -0.07 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1mkk s ALA 104 CO 0.02 -0.01 0.32 1.03 0.00 0.00 0.00 175.76 177.11 1mkk s ARG 105 N -0.05 0.86 0.00 0.00 0.52 0.61 -4.93 118.95 115.96 1mkk s ARG 105 Ca 0.46 -0.55 0.05 0.00 -0.52 0.00 0.00 55.73 55.17 1mkk s ARG 105 Cb -0.23 0.37 0.32 0.00 0.52 0.00 0.00 34.95 35.93 1mkk s ARG 105 CO 0.29 -0.29 0.79 -2.30 0.02 0.00 0.00 175.30 173.82