#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3w n SER 4 N 0.00 1.25 -0.33 8.00 2.88 -1.26 -4.80 113.62 119.36 2k3w n SER 4 Ca 0.00 0.85 -0.04 0.00 -1.33 0.00 0.00 58.87 58.35 2k3w n SER 4 Cb 0.00 -1.44 0.09 0.00 -0.75 0.00 0.00 64.21 62.11 2k3w n SER 4 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2k3w h THR 5 N 0.69 1.24 -0.30 2.46 2.02 -1.99 -1.38 112.91 115.65 2k3w h THR 5 Ca -0.49 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.12 2k3w h THR 5 Cb 1.35 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2k3w h THR 5 CO 0.52 0.26 0.05 0.25 0.37 0.00 0.00 175.52 176.97 2k3w h LEU 6 N 1.22 0.48 -0.69 2.58 7.12 -1.90 -1.04 115.31 123.08 2k3w h LEU 6 Ca 0.32 -0.26 0.03 0.00 0.13 0.00 0.00 57.88 58.09 2k3w h LEU 6 Cb -0.05 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 39.91 2k3w h LEU 6 CO -0.06 0.62 0.43 -0.61 -0.13 0.00 0.00 178.44 178.70 2k3w h GLN 7 N 0.33 0.82 -0.43 1.25 5.75 -1.84 -1.12 115.11 119.88 2k3w h GLN 7 Ca 0.09 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 2k3w h GLN 7 Cb 0.35 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 2k3w h GLN 7 CO 0.01 0.54 0.12 0.87 -2.65 0.00 0.00 178.83 177.72 2k3w h LYS 8 N 0.85 0.67 -0.47 1.69 1.79 -1.12 -0.87 116.57 119.11 2k3w h LYS 8 Ca 0.27 -0.15 0.05 0.00 -2.18 0.00 0.00 60.65 58.65 2k3w h LYS 8 Cb 0.01 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.52 2k3w h LYS 8 CO -0.10 0.67 0.19 0.00 -1.08 0.00 0.00 179.45 179.12 2k3w h ALA 9 N 0.97 0.57 -0.56 3.86 0.00 -0.60 0.10 119.26 123.60 2k3w h ALA 9 Ca 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2k3w h ALA 9 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2k3w h ALA 9 CO -0.00 -0.19 0.18 0.82 0.00 0.00 0.00 179.25 180.05 2k3w h ILE 10 N 0.38 1.24 -0.28 0.00 2.04 -1.04 -1.60 117.51 118.24 2k3w h ILE 10 Ca 0.22 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.30 2k3w h ILE 10 Cb 0.19 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2k3w h ILE 10 CO -0.20 0.30 0.12 -0.78 0.00 0.00 0.00 178.15 177.59 2k3w h ASP 11 N 0.78 0.16 -0.47 1.72 3.58 -0.35 0.23 116.42 122.07 2k3w h ASP 11 Ca 0.18 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 2k3w h ASP 11 Cb 0.28 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2k3w h ASP 11 CO -0.01 0.13 0.18 -0.07 -2.88 0.00 0.00 179.24 176.59 2k3w h LEU 12 N 0.26 0.66 -0.60 2.28 3.38 -0.83 -2.29 115.31 118.17 2k3w h LEU 12 Ca 0.12 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2k3w h LEU 12 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2k3w h LEU 12 CO -0.10 0.66 -0.11 1.62 0.09 0.00 0.00 178.44 180.60 2k3w h VAL 13 N 0.62 1.27 -0.03 1.22 3.04 -1.07 -0.81 116.25 120.49 2k3w h VAL 13 Ca 0.15 -1.26 0.02 0.00 -1.01 0.00 0.00 66.70 64.61 2k3w h VAL 13 Cb 0.22 0.97 -0.03 0.00 -2.01 0.00 0.00 31.29 30.44 2k3w h VAL 13 CO -0.01 0.44 -0.11 0.74 -1.01 0.00 0.00 177.57 177.62 2k3w h THR 14 N 0.89 0.71 -0.74 3.17 2.02 -0.34 -0.43 112.91 118.19 2k3w h THR 14 Ca 0.14 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 2k3w h THR 14 Cb 0.67 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2k3w h THR 14 CO 0.05 0.00 0.34 0.50 0.37 0.00 0.00 175.52 176.78 2k3w h LYS 15 N -0.18 1.08 -0.79 6.66 3.64 -1.34 -2.29 116.57 123.36 2k3w h LYS 15 Ca 0.05 -0.17 0.14 0.00 -1.27 0.00 0.00 60.65 59.40 2k3w h LYS 15 Cb 0.24 -0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 31.78 2k3w h LYS 15 CO -0.13 0.86 0.36 0.00 -2.27 0.00 0.00 179.45 178.27 2k3w h ALA 16 N 1.17 1.15 -0.59 5.00 0.00 -0.31 0.13 119.26 125.81 2k3w h ALA 16 Ca 0.25 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2k3w h ALA 16 Cb 0.15 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k3w h ALA 16 CO -0.03 -0.15 0.04 1.79 0.00 0.00 0.00 179.25 180.90 2k3w h THR 17 N 0.53 1.26 -0.48 0.00 1.35 -0.56 0.01 112.91 115.01 2k3w h THR 17 Ca 0.43 -1.06 -0.08 0.00 -0.55 0.00 0.00 66.41 65.15 2k3w h THR 17 Cb 0.62 0.76 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 2k3w h THR 17 CO -0.37 0.39 -0.03 1.05 -0.25 0.00 0.00 175.52 176.30 2k3w h GLU 18 N 0.92 0.82 -0.37 4.72 4.11 -0.57 -1.90 114.58 122.30 2k3w h GLU 18 Ca 0.17 -0.24 -0.15 0.00 0.07 0.00 0.00 59.36 59.21 2k3w h GLU 18 Cb 0.48 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2k3w h GLU 18 CO 0.02 0.84 -0.36 0.93 0.07 0.00 0.00 179.01 180.52 2k3w h GLU 19 N 0.76 0.90 -0.88 1.06 4.39 -0.44 -1.64 114.58 118.73 2k3w h GLU 19 Ca 0.14 -0.47 0.02 0.00 0.34 0.00 0.00 59.36 59.39 2k3w h GLU 19 Cb 0.50 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.12 2k3w h GLU 19 CO 0.03 1.12 0.58 0.22 -1.16 0.00 0.00 179.01 179.79 2k3w h ASP 20 N 0.71 0.98 -0.51 1.42 3.58 -0.75 0.65 116.42 122.49 2k3w h ASP 20 Ca 0.06 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 2k3w h ASP 20 Cb 0.95 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 2k3w h ASP 20 CO 0.09 0.69 -0.03 0.11 -2.88 0.00 0.00 179.24 177.22 2k3w h LYS 21 N 1.15 0.96 0.00 0.28 1.57 -1.22 -1.60 116.57 117.71 2k3w h LYS 21 Ca 0.34 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2k3w h LYS 21 Cb -0.07 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2k3w h LYS 21 CO -0.09 0.97 0.00 0.00 -0.57 0.00 0.00 179.45 179.75 2k3w n ALA 22 N -2.48 2.21 -2.05 3.86 0.00 -0.59 -4.79 120.51 116.66 2k3w n ALA 22 Ca 0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 2k3w n ALA 22 Cb 0.35 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 2k3w n ALA 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k3w n LYS 23 N -0.51 -1.04 -2.95 0.00 4.76 -0.60 -4.93 118.16 112.90 2k3w n LYS 23 Ca 0.00 0.73 -0.43 0.00 -2.87 0.00 0.00 58.31 55.74 2k3w n LYS 23 Cb 0.00 -4.93 0.01 0.00 -1.84 0.00 0.00 35.03 28.27 2k3w n LYS 23 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2k3w n ASN 24 N -0.47 6.57 -0.27 4.39 4.13 0.22 -4.81 115.26 125.01 2k3w n ASN 24 Ca -0.15 -3.46 -0.00 0.00 1.68 0.00 0.00 54.58 52.64 2k3w n ASN 24 Cb 0.58 -1.25 0.12 0.00 -1.54 0.00 0.00 39.78 37.69 2k3w n ASN 24 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 2k3w h TYR 25 N 5.22 0.84 0.52 3.10 0.05 -1.86 0.51 116.97 125.34 2k3w h TYR 25 Ca 0.25 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.04 2k3w h TYR 25 Cb 0.56 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2k3w h TYR 25 CO 1.07 0.41 -0.26 0.93 -1.05 0.00 0.00 178.16 179.26 2k3w h GLU 26 N 0.83 -0.70 -0.36 4.88 5.08 -1.95 0.49 114.58 122.85 2k3w h GLU 26 Ca 0.34 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 2k3w h GLU 26 Cb 0.19 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2k3w h GLU 26 CO -0.18 -0.46 0.13 1.49 -1.00 0.00 0.00 179.01 178.99 2k3w h GLU 27 N -0.72 0.55 -0.61 2.33 4.57 -1.89 -2.19 114.58 116.62 2k3w h GLU 27 Ca -0.07 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.03 2k3w h GLU 27 Cb 0.56 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 2k3w h GLU 27 CO 0.11 0.55 0.38 0.00 -1.18 0.00 0.00 179.01 178.86 2k3w h ALA 28 N 0.98 0.79 -0.41 2.92 0.00 0.12 -1.95 119.26 121.71 2k3w h ALA 28 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2k3w h ALA 28 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2k3w h ALA 28 CO -0.01 0.12 0.22 1.25 0.00 0.00 0.00 179.25 180.83 2k3w h LEU 29 N 0.74 0.33 -0.72 0.00 5.85 0.25 0.20 115.31 121.95 2k3w h LEU 29 Ca 0.24 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.00 2k3w h LEU 29 Cb 0.02 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2k3w h LEU 29 CO -0.10 0.24 0.47 0.03 -0.34 0.00 0.00 178.44 178.73 2k3w h ARG 30 N 0.44 0.91 -0.45 1.25 -0.00 -0.96 -1.38 114.38 114.18 2k3w h ARG 30 Ca 0.17 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.98 59.47 2k3w h ARG 30 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 29.97 29.81 2k3w h ARG 30 CO -0.11 0.60 -0.22 -0.07 0.00 0.00 0.00 179.97 180.17 2k3w h LEU 31 N 0.93 0.94 -0.10 3.04 3.38 -0.81 -1.90 115.31 120.79 2k3w h LEU 31 Ca 0.28 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2k3w h LEU 31 Cb -0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2k3w h LEU 31 CO -0.08 1.12 0.04 1.88 0.09 0.00 0.00 178.44 181.48 2k3w h TYR 32 N 0.80 0.07 -0.60 1.13 0.05 -0.01 0.32 116.97 118.71 2k3w h TYR 32 Ca 0.11 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 2k3w h TYR 32 Cb 0.78 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 2k3w h TYR 32 CO 0.05 0.04 0.22 1.96 -1.05 0.00 0.00 178.16 179.37 2k3w h GLN 33 N 0.09 0.92 0.01 4.88 4.20 -1.23 -1.80 115.11 122.17 2k3w h GLN 33 Ca 0.04 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 2k3w h GLN 33 Cb 0.02 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2k3w h GLN 33 CO -0.04 0.80 -0.00 0.45 -0.67 0.00 0.00 178.83 179.36 2k3w h HIS 34 N 0.85 -0.01 -0.54 2.96 3.86 -1.04 -2.10 115.15 119.12 2k3w h HIS 34 Ca 0.20 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.49 2k3w h HIS 34 Cb 0.24 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.64 2k3w h HIS 34 CO 0.01 0.19 0.16 0.00 0.86 0.00 0.00 177.93 179.15 2k3w h ALA 35 N 0.78 0.65 -0.75 2.45 0.00 -0.27 -0.73 119.26 121.40 2k3w h ALA 35 Ca -0.00 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2k3w h ALA 35 Cb 0.21 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2k3w h ALA 35 CO 0.00 -0.25 0.45 0.28 0.00 0.00 0.00 179.25 179.73 2k3w h VAL 36 N 0.32 1.02 -0.33 0.00 2.07 -1.21 -0.66 116.25 117.46 2k3w h VAL 36 Ca 0.27 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2k3w h VAL 36 Cb 0.34 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2k3w h VAL 36 CO -0.31 0.15 0.04 -0.08 0.02 0.00 0.00 177.57 177.40 2k3w h GLU 37 N 0.83 0.15 -0.75 1.57 4.57 -0.45 0.58 114.58 121.08 2k3w h GLU 37 Ca 0.32 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.46 2k3w h GLU 37 Cb 0.14 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2k3w h GLU 37 CO -0.16 0.10 0.33 1.88 -1.18 0.00 0.00 179.01 179.97 2k3w h TYR 38 N 0.15 1.11 0.11 0.92 -1.99 -0.72 -0.28 116.97 116.27 2k3w h TYR 38 Ca 0.16 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 2k3w h TYR 38 Cb 0.19 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.58 2k3w h TYR 38 CO -0.20 0.83 -0.05 0.74 -0.00 0.00 0.00 178.16 179.48 2k3w h PHE 39 N 1.08 -0.14 -0.80 4.88 0.04 -0.18 0.68 116.94 122.51 2k3w h PHE 39 Ca 0.26 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.01 2k3w h PHE 39 Cb 0.16 0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 2k3w h PHE 39 CO 0.02 -0.01 0.44 -0.07 -0.60 0.00 0.00 178.31 178.09 2k3w h LEU 40 N -0.23 1.00 -1.08 1.54 3.38 -0.74 -1.66 115.31 117.52 2k3w h LEU 40 Ca -0.01 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2k3w h LEU 40 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k3w h LEU 40 CO 0.02 0.80 -0.17 -0.74 0.09 0.00 0.00 178.44 178.44 2k3w h HIS 41 N 1.12 0.49 -0.22 1.13 2.76 -0.75 -2.39 115.15 117.28 2k3w h HIS 41 Ca 0.28 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 2k3w h HIS 41 Cb 0.02 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 2k3w h HIS 41 CO 0.01 0.60 0.03 0.00 -1.30 0.00 0.00 177.93 177.27 2k3w h ALA 42 N 1.41 0.30 -0.20 5.26 0.00 0.08 0.72 119.26 126.82 2k3w h ALA 42 Ca 0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2k3w h ALA 42 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2k3w h ALA 42 CO 0.04 -0.02 -0.25 -0.84 0.00 0.00 0.00 179.25 178.17 2k3w h ILE 43 N 0.17 1.26 0.00 0.00 3.07 -1.36 1.16 117.51 121.80 2k3w h ILE 43 Ca 0.07 -1.21 -0.08 0.00 1.55 0.00 0.00 64.86 65.19 2k3w h ILE 43 Cb 0.33 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.24 2k3w h ILE 43 CO 0.00 0.38 -0.43 0.11 -1.05 0.00 0.00 178.15 177.16 2k3w h LYS 44 N 0.34 0.00 0.00 0.16 1.57 -1.29 -3.38 116.57 113.96 2k3w h LYS 44 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2k3w h LYS 44 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2k3w h LYS 44 CO 0.05 0.90 -0.48 1.88 -0.57 0.00 0.00 179.45 181.23 2k3w h TYR 45 N -1.00 0.00 -4.34 -1.35 -1.99 0.42 -3.45 116.97 105.26 2k3w h TYR 45 Ca -0.11 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.96 2k3w h TYR 45 Cb 1.02 0.00 -0.27 0.00 2.00 0.00 0.00 36.73 39.48 2k3w h TYR 45 CO 0.19 0.00 -0.87 -1.21 -0.00 0.00 0.00 178.16 176.27 2k3w s GLU 46 N -3.21 1.73 0.22 4.88 2.02 0.40 -5.00 118.70 119.74 2k3w s GLU 46 Ca 0.06 -0.98 -0.13 0.00 0.02 0.00 0.00 54.97 53.93 2k3w s GLU 46 Cb 0.11 -1.81 -0.08 0.00 0.10 0.00 0.00 34.13 32.45 2k3w s GLU 46 CO 0.70 0.48 0.60 0.00 0.02 0.00 0.00 175.26 177.06 2k3w s ALA 47 N -0.73 3.51 0.03 5.21 0.00 -1.26 -4.00 121.76 124.52 2k3w s ALA 47 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 2k3w s ALA 47 Cb -0.09 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2k3w s ALA 47 CO 0.01 0.44 0.05 0.72 0.00 0.00 0.00 175.76 176.98 2k3w n HIS 48 N 0.22 -0.92 -3.53 0.00 8.25 -1.26 -5.04 115.22 112.95 2k3w n HIS 48 Ca -0.01 -0.14 -0.33 0.00 -0.26 0.00 0.00 57.72 56.97 2k3w n HIS 48 Cb 0.52 0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.64 2k3w n HIS 48 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2k3w s SER 49 N -1.15 6.63 0.43 0.41 0.01 -1.26 -4.92 113.70 113.86 2k3w s SER 49 Ca 0.01 0.82 0.24 0.00 1.31 0.00 0.00 55.95 58.33 2k3w s SER 49 Cb -0.00 -2.18 1.25 0.00 0.21 0.00 0.00 66.02 65.29 2k3w s SER 49 CO 0.01 0.07 1.75 -0.78 0.41 0.00 0.00 173.24 174.70 2k3w h ASP 50 N 3.20 0.33 -0.47 2.44 3.58 -2.02 1.15 116.42 124.63 2k3w h ASP 50 Ca -0.48 0.08 -0.11 0.00 0.42 0.00 0.00 57.03 56.94 2k3w h ASP 50 Cb 1.18 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 2k3w h ASP 50 CO 0.68 0.02 -0.11 0.11 -2.88 0.00 0.00 179.24 177.07 2k3w h LYS 51 N 0.26 0.94 0.46 0.28 1.57 -2.00 -2.21 116.57 115.88 2k3w h LYS 51 Ca 0.63 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2k3w h LYS 51 Cb 1.85 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.10 2k3w h LYS 51 CO -0.26 0.99 -0.22 0.00 -0.57 0.00 0.00 179.45 179.39 2k3w h ALA 52 N 1.03 -0.62 -0.44 3.86 0.00 0.92 -2.18 119.26 121.82 2k3w h ALA 52 Ca 0.13 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2k3w h ALA 52 Cb 0.64 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 2k3w h ALA 52 CO 0.04 -0.72 -0.31 0.87 0.00 0.00 0.00 179.25 179.14 2k3w h LYS 53 N -0.89 -0.21 -0.97 0.00 6.56 -1.15 0.35 116.57 120.26 2k3w h LYS 53 Ca -0.06 0.01 0.18 0.00 -1.06 0.00 0.00 60.65 59.72 2k3w h LYS 53 Cb 0.58 0.05 -0.10 0.00 -0.57 0.00 0.00 32.23 32.18 2k3w h LYS 53 CO 0.10 -0.14 0.57 1.49 -2.06 0.00 0.00 179.45 179.42 2k3w h GLU 54 N -0.22 0.72 -0.54 3.15 4.22 -1.39 0.37 114.58 120.90 2k3w h GLU 54 Ca 0.19 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.54 2k3w h GLU 54 Cb 0.53 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2k3w h GLU 54 CO -0.56 0.48 0.17 1.03 -2.18 0.00 0.00 179.01 177.95 2k3w h SER 55 N 0.75 0.78 -0.20 1.04 0.87 0.25 -0.99 113.55 116.06 2k3w h SER 55 Ca 0.55 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 2k3w h SER 55 Cb 0.82 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2k3w h SER 55 CO -0.37 0.78 -0.03 0.40 -0.53 0.00 0.00 176.83 177.08 2k3w h ILE 56 N 0.75 1.27 0.91 2.23 1.08 0.14 -1.41 117.51 122.47 2k3w h ILE 56 Ca 0.17 -0.96 -0.04 0.00 -0.39 0.00 0.00 64.86 63.64 2k3w h ILE 56 Cb 0.28 1.51 0.01 0.00 -3.07 0.00 0.00 36.82 35.55 2k3w h ILE 56 CO -0.01 0.29 -0.46 0.03 -0.69 0.00 0.00 178.15 177.32 2k3w h ARG 57 N 0.10 -1.20 -0.31 2.37 3.08 -0.32 0.78 114.38 118.89 2k3w h ARG 57 Ca 0.05 0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.25 2k3w h ARG 57 Cb 0.45 0.27 -0.08 0.00 0.08 0.00 0.00 29.97 30.70 2k3w h ARG 57 CO 0.02 -0.80 -0.21 0.00 -1.07 0.00 0.00 179.97 177.91 2k3w h ALA 58 N -1.16 -0.00 -0.72 0.04 0.00 -1.24 -1.04 119.26 115.13 2k3w h ALA 58 Ca -0.12 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k3w h ALA 58 Cb 0.96 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2k3w h ALA 58 CO 0.19 -0.60 0.36 0.87 0.00 0.00 0.00 179.25 180.07 2k3w h LYS 59 N -0.17 1.02 -0.97 0.00 1.79 -1.17 -2.11 116.57 114.96 2k3w h LYS 59 Ca 0.16 -0.14 0.16 0.00 -2.18 0.00 0.00 60.65 58.65 2k3w h LYS 59 Cb 0.42 -0.19 -0.10 0.00 -1.58 0.00 0.00 32.23 30.79 2k3w h LYS 59 CO -0.42 0.79 0.58 0.00 -1.08 0.00 0.00 179.45 179.32 2k3w h VAL 61 N 0.81 1.21 -0.54 0.00 2.07 -0.59 -0.76 116.25 118.45 2k3w h VAL 61 Ca 0.53 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 67.46 2k3w h VAL 61 Cb 0.71 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2k3w h VAL 61 CO -0.34 0.19 0.19 1.56 0.02 0.00 0.00 177.57 179.19 2k3w h GLN 62 N -0.07 0.35 0.09 1.57 4.20 -0.59 0.47 115.11 121.14 2k3w h GLN 62 Ca 0.03 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k3w h GLN 62 Cb 0.28 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2k3w h GLN 62 CO 0.00 0.23 -0.04 1.88 -0.67 0.00 0.00 178.83 180.23 2k3w h TYR 63 N 0.36 -0.12 0.06 2.96 0.05 -0.84 -2.06 116.97 117.38 2k3w h TYR 63 Ca 0.26 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 2k3w h TYR 63 Cb 0.30 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 2k3w h TYR 63 CO -0.17 0.04 -0.07 -0.07 -1.05 0.00 0.00 178.16 176.84 2k3w h LEU 64 N -0.25 -0.20 -0.71 3.88 3.38 -0.64 -1.09 115.31 119.69 2k3w h LEU 64 Ca -0.01 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.14 2k3w h LEU 64 Cb 0.21 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 40.91 2k3w h LEU 64 CO 0.02 -0.12 0.00 -0.78 0.09 0.00 0.00 178.44 177.66 2k3w h ASP 65 N -0.16 -0.32 -0.55 -0.43 3.58 0.01 0.45 116.42 118.99 2k3w h ASP 65 Ca 0.01 0.18 0.01 0.00 0.42 0.00 0.00 57.03 57.65 2k3w h ASP 65 Cb 0.16 0.32 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2k3w h ASP 65 CO -0.03 -0.16 0.36 0.03 -2.88 0.00 0.00 179.24 176.56 2k3w h ARG 66 N 0.11 0.71 -0.68 0.28 2.47 -0.89 -1.44 114.38 114.93 2k3w h ARG 66 Ca 0.38 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.06 2k3w h ARG 66 Cb 0.66 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 2k3w h ARG 66 CO -0.62 0.47 0.39 0.00 0.56 0.00 0.00 179.97 180.77 2k3w h ALA 67 N 1.21 1.42 0.49 0.04 0.00 0.78 -0.56 119.26 122.64 2k3w h ALA 67 Ca 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2k3w h ALA 67 Cb -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2k3w h ALA 67 CO -0.06 0.50 -0.23 0.93 0.00 0.00 0.00 179.25 180.39 2k3w h GLU 68 N 0.94 -0.63 -0.73 0.00 4.39 0.58 -1.34 114.58 117.79 2k3w h GLU 68 Ca 0.24 0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.01 2k3w h GLU 68 Cb -0.01 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 2k3w h GLU 68 CO -0.04 -0.33 0.48 1.57 -1.16 0.00 0.00 179.01 179.52 2k3w h LYS 69 N -0.88 0.89 -0.26 2.33 2.10 -1.20 0.27 116.57 119.82 2k3w h LYS 69 Ca -0.07 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2k3w h LYS 69 Cb 0.59 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.70 2k3w h LYS 69 CO 0.11 0.59 0.17 -0.07 -2.00 0.00 0.00 179.45 178.25 2k3w h LEU 70 N 0.91 0.30 -1.05 7.07 3.38 -0.99 -1.35 115.31 123.59 2k3w h LEU 70 Ca 0.28 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2k3w h LEU 70 Cb 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k3w h LEU 70 CO -0.08 0.23 -0.20 0.50 0.09 0.00 0.00 178.44 178.99 2k3w h LYS 71 N 0.35 0.00 0.51 1.13 3.64 -0.54 -2.18 116.57 119.47 2k3w h LYS 71 Ca 0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2k3w h LYS 71 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2k3w h LYS 71 CO -0.02 0.20 -0.24 0.22 -2.27 0.00 0.00 179.45 177.33 2k3w h ASP 72 N 0.00 -0.58 1.09 4.20 3.58 0.64 -1.63 116.42 123.72 2k3w h ASP 72 Ca -0.00 -0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.23 2k3w h ASP 72 Cb 0.76 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 2k3w h ASP 72 CO 0.03 -0.21 -0.72 0.10 -2.88 0.00 0.00 179.24 175.55 2k3w h TYR 73 N -1.00 0.00 -0.03 0.28 -0.00 -1.52 -3.23 116.97 111.47 2k3w h TYR 73 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.66 2k3w h TYR 73 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.34 2k3w h TYR 73 CO 0.01 0.72 0.01 -0.07 -0.00 0.00 0.00 178.16 178.84 2k3w h LEU 74 N 0.00 0.03 0.00 0.10 3.38 -1.44 -3.52 115.31 113.86 2k3w h LEU 74 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k3w h LEU 74 Cb 1.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2k3w h LEU 74 CO 0.09 0.11 0.00 -1.14 0.09 0.00 0.00 178.44 177.60