#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzi n PRO 9 N 0.00 0.00 -0.08 -0.14 -0.02 -1.26 -4.68 135.00 128.82 3kzi n PRO 9 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kzi n PRO 9 Cb 0.00 -0.56 0.01 0.00 -0.02 0.00 0.00 33.50 32.93 3kzi n PRO 9 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kzi n PHE 10 N 3.83 0.02 -0.35 6.00 3.72 -1.26 0.12 117.46 129.54 3kzi n PHE 10 Ca 0.26 0.25 0.01 0.00 -0.05 0.00 0.00 57.45 57.92 3kzi n PHE 10 Cb 0.02 -0.58 0.08 0.00 -0.94 0.00 0.00 39.48 38.05 3kzi n PHE 10 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3kzi h SER 11 N 0.00 -1.17 -0.35 4.37 0.02 -1.99 0.25 113.55 114.69 3kzi h SER 11 Ca 0.07 0.29 0.02 0.00 -0.84 0.00 0.00 61.79 61.34 3kzi h SER 11 Cb 0.13 0.67 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 3kzi h SER 11 CO -0.20 -0.30 0.18 0.44 -1.14 0.00 0.00 176.83 175.81 3kzi h ASP 12 N -0.02 0.27 -0.34 3.07 3.32 0.61 -3.00 116.42 120.33 3kzi h ASP 12 Ca 0.38 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 3kzi h ASP 12 Cb 0.63 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3kzi h ASP 12 CO -0.95 0.20 0.07 0.40 -1.72 0.00 0.00 179.24 177.23 3kzi h ILE 13 N 0.37 1.23 0.00 0.35 2.04 -0.63 -1.23 117.51 119.64 3kzi h ILE 13 Ca 0.15 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3kzi h ILE 13 Cb 0.05 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3kzi h ILE 13 CO -0.10 0.27 0.00 -0.38 0.00 0.00 0.00 178.15 177.94 3kzi n ILE 14 N -4.60 1.04 -0.02 -0.67 2.08 0.14 -2.23 119.36 115.09 3kzi n ILE 14 Ca -0.02 0.26 0.01 0.00 0.56 0.00 0.00 62.75 63.57 3kzi n ILE 14 Cb 0.21 -1.10 -0.08 0.00 -0.75 0.00 0.00 39.64 37.91 3kzi n ILE 14 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 3kzi n THR 15 N -1.38 0.27 -1.73 1.39 -1.04 -1.02 -4.96 114.28 105.82 3kzi n THR 15 Ca 0.03 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.05 61.31 3kzi n THR 15 Cb 0.09 -0.14 -0.03 0.00 -1.82 0.00 0.00 70.33 68.43 3kzi n THR 15 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3kzi s SER 16 N -3.64 6.45 0.63 8.00 1.04 -0.50 -4.85 113.70 120.83 3kzi s SER 16 Ca -0.04 2.70 0.38 0.00 0.48 0.00 0.00 55.95 59.47 3kzi s SER 16 Cb 0.05 -2.56 2.13 0.00 0.10 0.00 0.00 66.02 65.75 3kzi s SER 16 CO 0.43 -1.00 2.30 0.58 0.98 0.00 0.00 173.24 176.53 3kzi h VAL 17 N 4.95 0.22 0.15 5.02 2.07 -1.92 -0.01 116.25 126.74 3kzi h VAL 17 Ca -0.46 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3kzi h VAL 17 Cb 1.22 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3kzi h VAL 17 CO 0.94 0.01 -0.07 -0.09 0.02 0.00 0.00 177.57 178.38 3kzi h ARG 18 N 0.00 -0.19 -0.61 1.57 1.12 -1.93 -0.70 114.38 113.64 3kzi h ARG 18 Ca -0.00 0.01 0.07 0.00 -1.11 0.00 0.00 59.98 58.95 3kzi h ARG 18 Cb 0.04 0.04 -0.10 0.00 -0.01 0.00 0.00 29.97 29.95 3kzi h ARG 18 CO 0.00 -0.03 -0.54 -0.92 -3.11 0.00 0.00 179.97 175.37 3kzi h TYR 19 N -0.32 -1.68 -0.85 2.20 3.20 -1.24 0.29 116.97 118.58 3kzi h TYR 19 Ca -0.02 0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3kzi h TYR 19 Cb 0.25 0.81 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 3kzi h TYR 19 CO -0.03 -0.45 0.41 -1.49 -1.64 0.00 0.00 178.16 174.97 3kzi h TRP 20 N -0.25 1.22 -0.42 -3.82 4.06 -1.51 0.22 115.95 115.46 3kzi h TRP 20 Ca 0.12 -0.06 0.12 0.00 2.06 0.00 0.00 58.89 61.14 3kzi h TRP 20 Cb 0.54 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 3kzi h TRP 20 CO -0.81 0.88 0.31 0.28 -3.56 0.00 0.00 178.44 175.54 3kzi h VAL 21 N 1.21 0.76 0.00 1.49 2.07 0.58 0.29 116.25 122.65 3kzi h VAL 21 Ca 0.29 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.76 3kzi h VAL 21 Cb 0.11 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3kzi h VAL 21 CO -0.04 0.00 -0.44 0.40 0.02 0.00 0.00 177.57 177.51 3kzi h ILE 22 N 0.00 0.48 0.00 4.57 2.04 0.25 -3.40 117.51 121.44 3kzi h ILE 22 Ca 0.20 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.60 3kzi h ILE 22 Cb 0.82 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3kzi h ILE 22 CO -0.00 0.16 0.00 0.45 0.00 0.00 0.00 178.15 178.76 3kzi h HIS 23 N -1.00 0.00 0.00 1.37 3.86 -0.33 -1.62 115.15 117.43 3kzi h HIS 23 Ca -0.07 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3kzi h HIS 23 Cb 0.61 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 3kzi h HIS 23 CO -0.01 0.00 -0.10 0.66 0.86 0.00 0.00 177.93 179.33 3kzi h SER 24 N 0.00 0.00 0.00 2.45 4.64 -0.65 0.62 113.55 120.61 3kzi h SER 24 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3kzi h SER 24 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3kzi h SER 24 CO 0.00 0.10 -0.96 -0.38 -0.87 0.00 0.00 176.83 174.73 3kzi n ILE 25 N -3.45 1.48 0.17 0.95 5.41 -0.88 -4.33 119.36 118.72 3kzi n ILE 25 Ca -0.01 0.08 -0.14 0.00 1.00 0.00 0.00 62.75 63.67 3kzi n ILE 25 Cb 0.26 -2.20 -0.07 0.00 -0.71 0.00 0.00 39.64 36.92 3kzi n ILE 25 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3kzi h THR 26 N -1.00 0.54 0.29 1.39 1.35 -1.12 -2.48 112.91 111.87 3kzi h THR 26 Ca -0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 3kzi h THR 26 Cb 0.95 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 3kzi h THR 26 CO -0.12 0.00 -0.34 0.40 -0.25 0.00 0.00 175.52 175.22 3kzi h ILE 27 N -0.49 0.00 -0.33 6.82 2.04 -1.13 -1.24 117.51 123.19 3kzi h ILE 27 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 3kzi h ILE 27 Cb 0.44 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3kzi h ILE 27 CO -0.02 0.00 0.31 -0.65 0.00 0.00 0.00 178.15 177.78 3kzi h PRO 28 N -0.64 0.00 0.53 2.37 0.11 -1.74 -1.61 132.00 131.03 3kzi h PRO 28 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3kzi h PRO 28 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3kzi h PRO 28 CO -0.06 0.00 -0.36 0.00 -0.21 0.00 0.00 178.00 177.36 3kzi h ALA 29 N 1.70 -1.14 -0.72 -0.75 0.00 -0.78 -0.42 119.26 117.14 3kzi h ALA 29 Ca 0.16 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3kzi h ALA 29 Cb 0.76 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 3kzi h ALA 29 CO -0.00 -1.12 0.25 -0.07 0.00 0.00 0.00 179.25 178.30 3kzi h LEU 30 N -0.85 0.18 0.35 0.00 3.38 -0.38 -1.98 115.31 116.02 3kzi h LEU 30 Ca -0.07 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kzi h LEU 30 Cb 0.69 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3kzi h LEU 30 CO 0.05 0.06 -0.32 0.15 0.09 0.00 0.00 178.44 178.47 3kzi h PHE 31 N 0.38 -0.89 -0.66 1.13 3.57 -1.03 -2.09 116.94 117.36 3kzi h PHE 31 Ca 0.40 0.00 0.19 0.00 3.53 0.00 0.00 57.97 62.09 3kzi h PHE 31 Cb 0.61 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 3kzi h PHE 31 CO -0.20 -0.43 0.53 0.82 -2.23 0.00 0.00 178.31 176.80 3kzi h ILE 32 N -0.66 0.52 0.66 1.41 2.04 -0.83 -0.73 117.51 119.91 3kzi h ILE 32 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3kzi h ILE 32 Cb 0.57 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3kzi h ILE 32 CO -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 178.15 177.81 3kzi h ALA 33 N 1.55 -0.89 -0.97 1.87 0.00 -0.84 -2.20 119.26 117.79 3kzi h ALA 33 Ca 0.31 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3kzi h ALA 33 Cb 1.37 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.43 3kzi h ALA 33 CO -0.00 -0.83 0.60 0.78 0.00 0.00 0.00 179.25 179.80 3kzi h GLY 34 N -1.23 1.55 0.27 0.00 0.00 -0.71 0.22 103.07 103.17 3kzi h GLY 34 Ca -0.09 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.84 3kzi h GLY 34 CO 0.15 0.18 -0.46 -0.25 0.00 0.00 0.00 176.54 176.16 3kzi h TRP 35 N 0.98 -1.29 -0.75 5.60 2.91 -1.17 -0.41 115.95 121.82 3kzi h TRP 35 Ca 0.47 0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.65 3kzi h TRP 35 Cb 0.41 0.54 -0.05 0.00 -0.51 0.00 0.00 29.16 29.56 3kzi h TRP 35 CO -0.02 -0.55 0.49 -0.07 -1.03 0.00 0.00 178.44 177.26 3kzi h LEU 36 N -0.72 0.47 -0.94 0.65 3.38 -0.65 0.57 115.31 118.07 3kzi h LEU 36 Ca 0.01 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.12 3kzi h LEU 36 Cb 0.72 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 3kzi h LEU 36 CO -0.24 0.26 0.56 0.15 0.09 0.00 0.00 178.44 179.26 3kzi h PHE 37 N 0.50 1.01 0.00 1.13 3.57 0.72 0.14 116.94 124.01 3kzi h PHE 37 Ca 0.36 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 3kzi h PHE 37 Cb 0.70 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 3kzi h PHE 37 CO -0.00 0.37 -0.16 0.28 -2.23 0.00 0.00 178.31 176.56 3kzi h VAL 38 N 0.87 0.39 0.00 1.41 2.07 -0.73 -1.91 116.25 118.35 3kzi h VAL 38 Ca 0.48 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3kzi h VAL 38 Cb 0.52 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3kzi h VAL 38 CO -0.29 0.13 0.16 0.77 0.02 0.00 0.00 177.57 178.37 3kzi h SER 39 N -1.00 0.00 -0.32 0.57 4.64 -0.79 0.75 113.55 117.40 3kzi h SER 39 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3kzi h SER 39 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3kzi h SER 39 CO -0.01 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.30 3kzi n THR 40 N -2.68 0.41 -0.87 2.95 -2.24 0.47 -4.93 114.28 107.40 3kzi n THR 40 Ca -0.02 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 3kzi n THR 40 Cb 0.21 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 3kzi n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kzi n GLY 41 N 1.42 0.39 0.10 3.38 0.00 0.26 -4.88 105.19 105.86 3kzi n GLY 41 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 3kzi n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kzi h LEU 42 N 0.00 0.20 -1.04 0.99 5.85 -1.73 -2.98 115.31 116.59 3kzi h LEU 42 Ca 0.00 -0.14 0.27 0.00 0.84 0.00 0.00 57.88 58.84 3kzi h LEU 42 Cb 0.22 -0.05 -0.13 0.00 0.37 0.00 0.00 40.66 41.07 3kzi h LEU 42 CO 0.00 0.29 0.60 0.00 -0.34 0.00 0.00 178.44 178.99 3kzi h ALA 43 N 0.92 1.88 -0.61 1.25 0.00 -1.62 0.13 119.26 121.21 3kzi h ALA 43 Ca 0.05 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3kzi h ALA 43 Cb 0.15 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3kzi h ALA 43 CO -0.01 -0.38 0.40 1.88 0.00 0.00 0.00 179.25 181.15 3kzi h TYR 44 N 0.51 0.62 0.00 0.00 0.05 -1.82 -2.28 116.97 114.05 3kzi h TYR 44 Ca 0.66 0.02 -0.24 0.00 0.05 0.00 0.00 58.73 59.22 3kzi h TYR 44 Cb 1.36 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.86 3kzi h TYR 44 CO -0.01 0.34 -1.35 -0.44 -1.05 0.00 0.00 178.16 175.65 3kzi h ASP 45 N 0.62 0.00 0.69 3.88 3.32 -0.84 -1.94 116.42 122.16 3kzi h ASP 45 Ca 0.26 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 3kzi h ASP 45 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3kzi h ASP 45 CO -0.08 0.91 -0.18 0.58 -1.72 0.00 0.00 179.24 178.75 3kzi h VAL 46 N 0.00 0.54 0.00 -1.35 2.07 -1.08 -3.23 116.25 113.20 3kzi h VAL 46 Ca -0.16 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3kzi h VAL 46 Cb 1.83 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 3kzi h VAL 46 CO 0.09 0.18 -0.09 0.49 0.02 0.00 0.00 177.57 178.26 3kzi n PHE 47 N -3.47 0.00 -1.27 1.57 3.72 -0.89 -4.99 117.46 112.12 3kzi n PHE 47 Ca -0.01 -0.61 -0.10 0.00 -0.05 0.00 0.00 57.45 56.69 3kzi n PHE 47 Cb 0.35 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.75 3kzi n PHE 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kzi n GLY 48 N -0.83 0.93 3.70 1.37 0.00 -0.77 -4.89 105.19 104.70 3kzi n GLY 48 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3kzi n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kzi s THR 49 N -1.82 4.48 0.36 2.61 2.01 -0.94 -5.01 115.64 117.34 3kzi s THR 49 Ca 0.00 1.78 -0.28 0.00 0.31 0.00 0.00 61.69 63.49 3kzi s THR 49 Cb 0.00 -4.14 -0.11 0.00 0.01 0.00 0.00 72.50 68.26 3kzi s THR 49 CO 0.00 0.09 1.50 -2.84 -0.69 0.00 0.00 174.62 172.67 3kzi s PRO 50 N 1.45 4.12 0.39 4.92 0.02 -1.26 -4.75 135.00 139.89 3kzi s PRO 50 Ca 0.54 2.56 -0.14 0.00 0.02 0.00 0.00 61.00 63.99 3kzi s PRO 50 Cb -0.24 -2.98 -0.08 0.00 0.02 0.00 0.00 34.50 31.22 3kzi s PRO 50 CO 0.25 -0.54 0.80 1.03 -0.33 0.00 0.00 177.00 178.21 3kzi s ARG 51 N -1.86 3.91 0.56 5.54 0.52 -1.26 -4.88 118.95 121.49 3kzi s ARG 51 Ca 0.54 0.65 0.22 0.00 -0.52 0.00 0.00 55.73 56.62 3kzi s ARG 51 Cb -0.46 -2.36 0.75 0.00 0.52 0.00 0.00 34.95 33.40 3kzi s ARG 51 CO 0.61 0.00 1.16 -2.30 0.02 0.00 0.00 175.30 174.79 3kzi n PRO 52 N -0.95 0.01 -0.86 3.54 -0.02 -1.26 0.15 135.00 135.61 3kzi n PRO 52 Ca 0.04 0.93 -0.06 0.00 -2.02 0.00 0.00 63.50 62.39 3kzi n PRO 52 Cb 0.54 -2.34 0.23 0.00 -0.02 0.00 0.00 33.50 31.91 3kzi n PRO 52 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kzi n ASP 53 N -3.01 3.54 -1.84 2.55 5.68 -1.26 -4.59 116.55 117.63 3kzi n ASP 53 Ca 0.19 -3.47 0.01 0.00 -0.50 0.00 0.00 54.79 51.03 3kzi n ASP 53 Cb 1.36 -0.68 0.05 0.00 -1.14 0.00 0.00 41.12 40.71 3kzi n ASP 53 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3kzi n SER 54 N -0.79 1.48 -0.06 -1.12 7.64 0.39 -4.83 113.62 116.33 3kzi n SER 54 Ca 0.38 -2.31 -0.22 0.00 1.01 0.00 0.00 58.87 57.73 3kzi n SER 54 Cb 1.21 -0.38 -0.12 0.00 -1.01 0.00 0.00 64.21 63.91 3kzi n SER 54 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3kzi n TYR 55 N -0.07 1.11 -4.45 1.43 4.01 -1.26 -4.65 117.16 113.28 3kzi n TYR 55 Ca 0.10 0.37 -0.21 0.00 -0.16 0.00 0.00 57.90 57.99 3kzi n TYR 55 Cb 0.99 -1.13 -0.11 0.00 -0.31 0.00 0.00 39.34 38.78 3kzi n TYR 55 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3kzi s TYR 56 N -2.44 1.97 0.66 -0.72 2.02 -1.26 -4.83 117.35 112.74 3kzi s TYR 56 Ca -0.26 -0.88 -0.09 0.00 -0.37 0.00 0.00 57.07 55.47 3kzi s TYR 56 Cb 0.06 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.40 3kzi s TYR 56 CO 0.66 0.10 1.01 0.00 -1.57 0.00 0.00 175.55 175.75 3kzi s ALA 57 N -3.20 3.07 0.18 3.71 0.00 -1.26 -4.70 121.76 119.55 3kzi s ALA 57 Ca 0.34 -0.55 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 3kzi s ALA 57 Cb 0.07 -2.81 0.08 0.00 0.00 0.00 0.00 23.12 20.46 3kzi s ALA 57 CO 0.14 -1.04 1.57 0.37 0.00 0.00 0.00 175.76 176.80 3kzi h GLN 58 N -0.47 -0.17 0.00 0.00 5.75 -1.87 -3.26 115.11 115.09 3kzi h GLN 58 Ca -0.45 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.02 3kzi h GLN 58 Cb 1.26 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.85 3kzi h GLN 58 CO 0.62 -0.11 -0.28 0.93 -2.65 0.00 0.00 178.83 177.34 3kzi h GLU 59 N -0.18 0.00 -6.11 1.69 5.08 -1.99 -3.47 114.58 109.60 3kzi h GLU 59 Ca 0.21 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.96 3kzi h GLU 59 Cb 0.56 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.97 3kzi h GLU 59 CO -0.73 0.59 -0.80 0.94 -1.00 0.00 0.00 179.01 178.01 3kzi n GLN 60 N -4.63 0.17 -0.08 2.33 7.27 -1.23 -4.90 117.38 116.31 3kzi n GLN 60 Ca -0.11 0.06 0.01 0.00 0.07 0.00 0.00 57.00 57.03 3kzi n GLN 60 Cb 0.35 -1.17 0.01 0.00 2.41 0.00 0.00 30.24 31.84 3kzi n GLN 60 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3kzi n ARG 61 N 1.08 0.86 -2.68 3.69 0.63 -1.26 -4.42 116.66 114.57 3kzi n ARG 61 Ca 0.11 -0.99 -0.27 0.00 -0.92 0.00 0.00 57.85 55.78 3kzi n ARG 61 Cb 0.41 -0.70 -0.00 0.00 0.45 0.00 0.00 32.46 32.62 3kzi n ARG 61 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3kzi s SER 62 N -0.62 6.23 -0.05 6.15 0.15 -1.26 -5.09 113.70 119.21 3kzi s SER 62 Ca 0.02 0.88 -0.06 0.00 0.70 0.00 0.00 55.95 57.49 3kzi s SER 62 Cb 0.02 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 3kzi s SER 62 CO 0.00 -0.58 0.20 -0.63 1.20 0.00 0.00 173.24 173.43 3kzi s ILE 63 N -2.72 5.41 -1.54 6.45 1.01 -1.26 -4.91 121.20 123.63 3kzi s ILE 63 Ca 0.47 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 61.16 3kzi s ILE 63 Cb -0.10 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 3kzi s ILE 63 CO 0.44 0.48 2.74 -0.81 0.00 0.00 0.00 174.94 177.79 3kzi n PRO 64 N 1.48 3.39 -2.43 2.79 -0.04 -1.26 -4.94 135.00 134.00 3kzi n PRO 64 Ca -0.15 -2.25 -0.43 0.00 -0.04 0.00 0.00 63.50 60.63 3kzi n PRO 64 Cb 0.54 -2.90 -0.02 0.00 -0.04 0.00 0.00 33.50 31.07 3kzi n PRO 64 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kzi s LEU 65 N 0.66 4.23 -0.04 1.53 2.96 -1.26 -4.97 118.68 121.78 3kzi s LEU 65 Ca 0.63 1.77 -0.30 0.00 -0.22 0.00 0.00 54.13 56.02 3kzi s LEU 65 Cb 0.17 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.25 3kzi s LEU 65 CO -0.06 -0.68 1.60 -0.69 -1.32 0.00 0.00 176.35 175.20 3kzi s VAL 66 N 2.86 3.59 -1.85 1.68 1.01 -1.26 -4.91 120.40 121.51 3kzi s VAL 66 Ca 0.56 0.78 0.17 0.00 0.00 0.00 0.00 61.98 63.48 3kzi s VAL 66 Cb -0.24 -3.50 0.08 0.00 0.00 0.00 0.00 36.38 32.72 3kzi s VAL 66 CO 0.19 -0.06 0.96 0.35 0.00 0.00 0.00 175.10 176.54 3kzi n THR 67 N 5.32 0.00 -3.69 3.92 -2.24 -1.26 -4.98 114.28 111.35 3kzi n THR 67 Ca 0.16 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 3kzi n THR 67 Cb 0.43 1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 69.85 3kzi n THR 67 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kzi s ASP 68 N -1.60 -0.59 0.03 3.42 -4.77 -1.26 -5.10 116.67 106.79 3kzi s ASP 68 Ca 0.17 1.04 -0.11 0.00 -3.30 0.00 0.00 52.55 50.35 3kzi s ASP 68 Cb 0.14 0.96 -0.05 0.00 -1.09 0.00 0.00 42.92 42.87 3kzi s ASP 68 CO 0.29 -0.19 1.17 0.08 0.70 0.00 0.00 175.17 177.21 3kzi h ARG 69 N 6.45 -0.31 -0.50 2.11 0.11 -1.98 -2.73 114.38 117.53 3kzi h ARG 69 Ca -0.32 0.02 0.07 0.00 0.10 0.00 0.00 59.98 59.85 3kzi h ARG 69 Cb 1.19 0.07 -0.06 0.00 1.11 0.00 0.00 29.97 32.28 3kzi h ARG 69 CO 0.24 -0.20 0.17 0.74 0.10 0.00 0.00 179.97 181.01 3kzi h PHE 70 N -0.32 0.30 -0.68 4.08 0.04 -2.05 -0.87 116.94 117.45 3kzi h PHE 70 Ca -0.02 0.03 -0.38 0.00 2.80 0.00 0.00 57.97 60.40 3kzi h PHE 70 Cb 0.27 -0.06 -0.21 0.00 2.20 0.00 0.00 35.95 38.15 3kzi h PHE 70 CO -0.10 0.09 0.48 0.39 -0.60 0.00 0.00 178.31 178.57 3kzi n GLU 71 N -5.01 1.91 0.17 1.51 -0.58 -1.25 -4.51 120.64 112.88 3kzi n GLU 71 Ca 0.05 -2.09 -0.12 0.00 -0.42 0.00 0.00 57.16 54.58 3kzi n GLU 71 Cb 0.21 -1.82 -0.07 0.00 -0.57 0.00 0.00 31.44 29.19 3kzi n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kzi h ALA 72 N 1.39 -0.48 -0.55 0.62 0.00 -0.82 -1.70 119.26 117.72 3kzi h ALA 72 Ca 0.43 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.26 3kzi h ALA 72 Cb 2.02 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 19.91 3kzi h ALA 72 CO 0.82 -0.56 0.01 -0.22 0.00 0.00 0.00 179.25 179.30 3kzi h LYS 73 N -0.91 0.12 -0.66 0.00 3.64 -1.79 0.31 116.57 117.29 3kzi h LYS 73 Ca -0.05 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3kzi h LYS 73 Cb 0.53 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 3kzi h LYS 73 CO 0.08 0.08 0.38 0.37 -2.27 0.00 0.00 179.45 178.09 3kzi h GLN 74 N 0.13 0.70 -0.68 1.90 5.75 -1.87 -1.31 115.11 119.73 3kzi h GLN 74 Ca 0.28 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.67 3kzi h GLN 74 Cb 0.43 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 3kzi h GLN 74 CO -0.45 0.46 0.14 0.37 -2.65 0.00 0.00 178.83 176.70 3kzi h GLN 75 N 0.72 1.10 -0.26 1.69 4.15 -0.12 -2.66 115.11 119.73 3kzi h GLN 75 Ca 0.28 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3kzi h GLN 75 Cb 0.12 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3kzi h GLN 75 CO -0.15 0.98 0.12 0.28 -1.93 0.00 0.00 178.83 178.13 3kzi h VAL 76 N 1.03 1.15 -0.80 2.39 2.07 0.11 -2.37 116.25 119.84 3kzi h VAL 76 Ca 0.21 -0.45 0.11 0.00 0.82 0.00 0.00 66.70 67.40 3kzi h VAL 76 Cb 0.39 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 3kzi h VAL 76 CO 0.01 0.16 0.42 -0.33 0.02 0.00 0.00 177.57 177.84 3kzi h GLU 77 N 0.28 0.65 -0.06 1.57 5.08 -1.05 0.15 114.58 121.20 3kzi h GLU 77 Ca 0.09 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3kzi h GLU 77 Cb 0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3kzi h GLU 77 CO -0.01 0.43 -0.25 1.15 -1.00 0.00 0.00 179.01 179.33 3kzi h THR 78 N 0.67 1.21 -0.31 1.13 2.02 -1.18 -2.04 112.91 114.40 3kzi h THR 78 Ca 0.41 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 3kzi h THR 78 Cb 0.48 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 3kzi h THR 78 CO -0.30 0.29 -0.08 -0.26 0.37 0.00 0.00 175.52 175.54 3kzi h PHE 79 N 0.10 0.54 0.00 3.16 0.05 -0.46 -0.66 116.94 119.67 3kzi h PHE 79 Ca 0.02 -0.07 -0.05 0.00 3.82 0.00 0.00 57.97 61.69 3kzi h PHE 79 Cb 0.50 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 38.29 3kzi h PHE 79 CO 0.00 0.58 -0.23 -0.07 -0.18 0.00 0.00 178.31 178.42 3kzi h LEU 80 N 0.48 0.00 0.68 1.54 -0.00 -0.96 -3.29 115.31 113.76 3kzi h LEU 80 Ca 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.95 3kzi h LEU 80 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 3kzi h LEU 80 CO 0.02 0.23 -0.47 -0.33 -0.00 0.00 0.00 178.44 177.89 3kzi h GLU 81 N 0.00 -1.05 -1.84 1.13 4.39 -0.79 -2.86 114.58 113.56 3kzi h GLU 81 Ca -0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3kzi h GLU 81 Cb 0.66 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3kzi h GLU 81 CO 0.03 -0.70 0.00 0.00 -1.16 0.00 0.00 179.01 177.18 3kzi n GLN 82 N -5.38 0.00 -3.03 2.33 10.64 -1.21 -4.39 117.38 116.35 3kzi n GLN 82 Ca -0.13 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.81 3kzi n GLN 82 Cb 0.47 -1.37 0.03 0.00 -0.86 0.00 0.00 30.24 28.50 3kzi n GLN 82 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3kzi n LEU 83 N 0.93 -2.56 -0.63 2.61 4.77 -1.09 -4.56 117.00 116.46 3kzi n LEU 83 Ca 0.00 -0.28 0.13 0.00 -0.03 0.00 0.00 56.01 55.83 3kzi n LEU 83 Cb 0.00 -2.91 0.39 0.00 -2.33 0.00 0.00 43.42 38.57 3kzi n LEU 83 CO 0.00 0.21 0.79 1.17 -1.33 0.00 0.00 177.39 178.23