#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o6k s SER 5 N 0.00 4.79 0.06 9.48 0.15 -1.26 -4.91 113.70 122.02 2o6k s SER 5 Ca 0.00 0.28 -0.29 0.00 0.70 0.00 0.00 55.95 56.64 2o6k s SER 5 Cb 0.00 -0.93 -0.17 0.00 -1.71 0.00 0.00 66.02 63.21 2o6k s SER 5 CO 0.00 -1.58 1.58 0.15 1.20 0.00 0.00 173.24 174.59 2o6k h PHE 6 N -0.50 -0.53 -0.48 3.44 3.57 -1.90 0.23 116.94 120.77 2o6k h PHE 6 Ca -0.43 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.14 2o6k h PHE 6 Cb 1.30 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 40.15 2o6k h PHE 6 CO 0.23 -0.29 0.06 -0.92 -2.23 0.00 0.00 178.31 175.16 2o6k h TYR 7 N -0.64 0.09 -0.77 0.41 3.20 -1.81 0.22 116.97 117.67 2o6k h TYR 7 Ca -0.06 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.90 2o6k h TYR 7 Cb 0.47 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 2o6k h TYR 7 CO -0.03 -0.04 0.47 1.96 -1.64 0.00 0.00 178.16 178.87 2o6k h GLN 8 N 0.19 0.84 -0.59 1.82 7.50 -1.80 -1.54 115.11 121.52 2o6k h GLN 8 Ca 0.24 -0.05 0.05 0.00 0.50 0.00 0.00 58.65 59.39 2o6k h GLN 8 Cb 0.34 -0.19 -0.05 0.00 0.05 0.00 0.00 27.48 27.63 2o6k h GLN 8 CO -0.35 0.56 0.32 0.35 -1.50 0.00 0.00 178.83 178.21 2o6k h PHE 9 N 0.86 0.59 0.00 2.96 3.57 0.50 -3.16 116.94 122.26 2o6k h PHE 9 Ca 0.33 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 2o6k h PHE 9 Cb 0.14 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 2o6k h PHE 9 CO -0.05 0.30 0.05 0.28 -2.23 0.00 0.00 178.31 176.66 2o6k n VAL 10 N -4.82 0.01 0.00 1.41 0.31 -0.08 -2.98 118.33 112.19 2o6k n VAL 10 Ca 0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2o6k n VAL 10 Cb 0.14 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 2o6k n VAL 10 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2o6k n THR 12 N 2.09 0.00 0.08 2.52 -2.24 -1.20 -2.25 114.28 113.28 2o6k n THR 12 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2o6k n THR 12 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 2o6k n THR 12 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2o6k h VAL 13 N 0.00 0.50 -2.81 2.28 2.07 -1.87 -3.48 116.25 112.95 2o6k h VAL 13 Ca 0.00 -1.86 -0.59 0.00 0.82 0.00 0.00 66.70 65.07 2o6k h VAL 13 Cb 0.00 2.06 0.12 0.00 -1.52 0.00 0.00 31.29 31.95 2o6k h VAL 13 CO 0.00 0.29 0.17 0.54 0.02 0.00 0.00 177.57 178.58 2o6k n ARG 14 N -2.96 1.42 0.00 1.57 1.74 -0.96 -1.81 116.66 115.66 2o6k n ARG 14 Ca -0.04 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2o6k n ARG 14 Cb 0.75 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2o6k n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2o6k n GLY 15 N 1.17 3.08 3.71 -0.13 0.00 -1.26 -5.04 105.19 106.72 2o6k n GLY 15 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2o6k n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2o6k n ARG 16 N -0.57 2.68 -1.67 1.61 0.63 -0.75 -4.86 116.66 113.74 2o6k n ARG 16 Ca 0.00 0.97 -0.40 0.00 -0.92 0.00 0.00 57.85 57.50 2o6k n ARG 16 Cb 0.00 -2.80 -0.02 0.00 0.45 0.00 0.00 32.46 30.09 2o6k n ARG 16 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2o6k n HIS 17 N 3.86 2.52 -3.21 -0.14 8.25 -1.26 -3.68 115.22 121.55 2o6k n HIS 17 Ca 0.16 -2.96 -0.01 0.00 -0.26 0.00 0.00 57.72 54.66 2o6k n HIS 17 Cb 0.34 -2.15 0.00 0.00 1.12 0.00 0.00 29.99 29.30 2o6k n HIS 17 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2o6k n ASP 18 N 2.61 -0.14 0.23 0.41 5.75 -1.26 -5.01 116.55 119.14 2o6k n ASP 18 Ca 0.70 -1.11 0.06 0.00 -0.01 0.00 0.00 54.79 54.43 2o6k n ASP 18 Cb 0.24 0.24 0.54 0.00 -1.03 0.00 0.00 41.12 41.10 2o6k n ASP 18 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2o6k h ASP 19 N 0.13 0.00 -0.28 -1.12 3.32 -1.99 -0.82 116.42 115.67 2o6k h ASP 19 Ca -0.02 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 2o6k h ASP 19 Cb 0.08 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2o6k h ASP 19 CO 0.03 0.13 -0.20 0.11 -1.72 0.00 0.00 179.24 177.59 2o6k h LYS 20 N 0.00 0.63 -0.56 3.56 1.57 -1.92 -0.08 116.57 119.77 2o6k h LYS 20 Ca -0.00 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 2o6k h LYS 20 Cb 0.23 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2o6k h LYS 20 CO 0.02 0.89 0.37 0.78 -0.57 0.00 0.00 179.45 180.94 2o6k h GLY 21 N 0.36 0.78 0.92 3.86 0.00 -1.27 0.16 103.07 107.88 2o6k h GLY 21 Ca 0.05 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 2o6k h GLY 21 CO 0.05 0.29 -0.22 3.21 0.00 0.00 0.00 176.54 179.87 2o6k h ARG 22 N 0.75 0.62 -0.43 4.80 3.08 -0.90 -1.37 114.38 120.94 2o6k h ARG 22 Ca 0.20 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 2o6k h ARG 22 Cb -0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2o6k h ARG 22 CO -0.04 0.91 0.08 1.25 -1.07 0.00 0.00 179.97 181.10 2o6k h LEU 23 N 0.35 0.68 -0.86 3.04 5.85 -0.52 -1.85 115.31 121.99 2o6k h LEU 23 Ca 0.05 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.61 2o6k h LEU 23 Cb 0.77 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 2o6k h LEU 23 CO 0.06 0.76 0.50 0.00 -0.34 0.00 0.00 178.44 179.41 2o6k h ALA 24 N 0.95 1.24 -0.29 1.25 0.00 -0.60 0.44 119.26 122.24 2o6k h ALA 24 Ca 0.13 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2o6k h ALA 24 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2o6k h ALA 24 CO 0.01 0.12 -0.26 1.49 0.00 0.00 0.00 179.25 180.61 2o6k h GLU 25 N 0.83 0.58 -0.59 0.00 4.57 -0.90 -0.84 114.58 118.23 2o6k h GLU 25 Ca 0.42 -0.23 -0.10 0.00 -1.18 0.00 0.00 59.36 58.26 2o6k h GLU 25 Cb 0.38 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2o6k h GLU 25 CO -0.25 0.79 -0.03 0.93 -1.18 0.00 0.00 179.01 179.26 2o6k h GLU 26 N 0.50 1.06 -0.23 1.92 5.08 -0.31 -0.14 114.58 122.47 2o6k h GLU 26 Ca 0.07 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 2o6k h GLU 26 Cb 0.72 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2o6k h GLU 26 CO 0.05 1.06 0.07 0.82 -1.00 0.00 0.00 179.01 180.01 2o6k h ILE 27 N 0.96 1.19 -0.61 3.13 2.04 -0.72 -1.69 117.51 121.82 2o6k h ILE 27 Ca 0.16 -0.60 0.11 0.00 1.00 0.00 0.00 64.86 65.53 2o6k h ILE 27 Cb 0.60 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.76 2o6k h ILE 27 CO 0.04 0.19 0.15 0.15 0.00 0.00 0.00 178.15 178.68 2o6k h PHE 28 N 0.20 0.25 0.00 1.37 3.57 -0.90 -2.08 116.94 119.35 2o6k h PHE 28 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2o6k h PHE 28 Cb 0.23 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2o6k h PHE 28 CO 0.00 -0.01 0.00 -0.44 -2.23 0.00 0.00 178.31 175.64 2o6k h ASP 29 N 0.29 0.00 -2.34 0.41 3.32 -0.57 -3.41 116.42 114.12 2o6k h ASP 29 Ca 0.32 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.78 2o6k h ASP 29 Cb 0.46 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.90 2o6k h ASP 29 CO -0.39 0.00 0.90 -0.62 -1.72 0.00 0.00 179.24 177.41 2o6k s ASP 30 N -5.53 6.23 0.58 6.45 2.15 -0.68 -4.86 116.67 121.02 2o6k s ASP 30 Ca 0.02 -0.87 0.28 0.00 0.43 0.00 0.00 52.55 52.41 2o6k s ASP 30 Cb 0.09 -2.50 1.72 0.00 -0.30 0.00 0.00 42.92 41.93 2o6k s ASP 30 CO 0.53 -1.60 2.22 -0.07 -0.17 0.00 0.00 175.17 176.08 2o6k h LEU 31 N 12.20 0.00 -2.70 -1.34 3.38 -1.84 -1.05 115.31 123.97 2o6k h LEU 31 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2o6k h LEU 31 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2o6k h LEU 31 CO 1.25 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.78 2o6k n ALA 32 N -2.36 2.35 -1.67 1.53 0.00 -1.26 -4.96 120.51 114.14 2o6k n ALA 32 Ca -0.02 -1.23 -0.45 0.00 0.00 0.00 0.00 53.44 51.74 2o6k n ALA 32 Cb 0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2o6k n ALA 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2o6k n PHE 33 N 1.45 2.22 -2.11 0.00 7.35 -0.40 -4.87 117.46 121.10 2o6k n PHE 33 Ca 0.22 0.39 -0.35 0.00 -0.76 0.00 0.00 57.45 56.95 2o6k n PHE 33 Cb 0.59 -2.48 -0.04 0.00 0.35 0.00 0.00 39.48 37.90 2o6k n PHE 33 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2o6k s PRO 34 N -0.11 2.69 0.00 -7.13 0.04 -1.26 -4.81 135.00 124.42 2o6k s PRO 34 Ca 0.70 0.14 0.22 0.00 0.04 0.00 0.00 61.00 62.11 2o6k s PRO 34 Cb -0.65 -4.66 1.25 0.00 0.04 0.00 0.00 34.50 30.48 2o6k s PRO 34 CO 0.47 -2.89 1.82 1.63 0.04 0.00 0.00 177.00 178.06 2o6k n LYS 35 N 9.07 1.12 0.00 4.56 5.02 -1.26 -3.27 118.16 133.39 2o6k n LYS 35 Ca 0.27 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2o6k n LYS 35 Cb 0.50 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 2o6k n LYS 35 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2o6k n HIS 36 N -0.66 0.00 -3.66 2.13 8.25 -1.26 -4.47 115.22 115.54 2o6k n HIS 36 Ca 0.17 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.26 2o6k n HIS 36 Cb 0.12 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.16 2o6k n HIS 36 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2o6k s ASP 37 N -0.02 6.46 -0.01 0.41 1.01 -1.20 -4.97 116.67 118.36 2o6k s ASP 37 Ca 0.00 0.55 0.11 0.00 0.71 0.00 0.00 52.55 53.92 2o6k s ASP 37 Cb 0.00 -2.15 -0.15 0.00 1.01 0.00 0.00 42.92 41.63 2o6k s ASP 37 CO 0.00 0.25 0.31 0.47 0.21 0.00 0.00 175.17 176.42 2o6k n ASP 38 N 2.72 1.81 -4.74 0.27 9.92 -1.26 -4.53 116.55 120.75 2o6k n ASP 38 Ca -0.15 -0.26 -0.41 0.00 -0.53 0.00 0.00 54.79 53.44 2o6k n ASP 38 Cb 0.53 1.33 -0.05 0.00 -0.64 0.00 0.00 41.12 42.29 2o6k n ASP 38 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2o6k s ASP 39 N -2.83 7.42 0.14 -2.24 2.15 -1.26 -4.94 116.67 115.10 2o6k s ASP 39 Ca -0.01 1.69 -0.18 0.00 0.43 0.00 0.00 52.55 54.48 2o6k s ASP 39 Cb 0.07 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 40.12 2o6k s ASP 39 CO 0.45 -0.01 1.77 0.15 -0.17 0.00 0.00 175.17 177.36 2o6k h PHE 40 N 5.46 0.42 -0.15 -5.34 3.57 -1.99 -2.16 116.94 116.75 2o6k h PHE 40 Ca -0.43 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 60.98 2o6k h PHE 40 Cb 1.21 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2o6k h PHE 40 CO 0.65 0.29 -0.30 -0.91 -2.23 0.00 0.00 178.31 175.81 2o6k h ASN 41 N 0.42 0.29 -0.01 0.41 2.35 -1.97 0.17 115.58 117.25 2o6k h ASN 41 Ca 0.12 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2o6k h ASN 41 Cb -0.01 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 2o6k h ASN 41 CO -0.02 0.59 -0.00 0.40 -1.65 0.00 0.00 177.43 176.74 2o6k h ILE 42 N 0.26 1.34 -0.53 2.81 1.08 -1.89 0.29 117.51 120.87 2o6k h ILE 42 Ca 0.04 -1.00 -0.12 0.00 -0.39 0.00 0.00 64.86 63.39 2o6k h ILE 42 Cb 0.66 2.00 -0.02 0.00 -3.07 0.00 0.00 36.82 36.39 2o6k h ILE 42 CO 0.05 0.26 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.58 2o6k h LEU 43 N -0.40 1.02 -0.83 1.44 3.38 -1.35 -2.18 115.31 116.39 2o6k h LEU 43 Ca 0.00 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2o6k h LEU 43 Cb 0.43 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2o6k h LEU 43 CO 0.00 1.14 0.45 -1.28 0.09 0.00 0.00 178.44 178.84 2o6k h SER 44 N 0.90 1.03 -0.47 -0.43 0.87 -0.62 -1.06 113.55 113.77 2o6k h SER 44 Ca 0.14 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 2o6k h SER 44 Cb 0.69 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2o6k h SER 44 CO 0.05 0.84 0.03 0.44 -0.53 0.00 0.00 176.83 177.66 2o6k h ASP 45 N 1.15 0.79 0.29 6.23 3.32 -0.76 -1.70 116.42 125.74 2o6k h ASP 45 Ca 0.29 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2o6k h ASP 45 Cb 0.04 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2o6k h ASP 45 CO -0.05 0.88 -0.14 0.22 -1.72 0.00 0.00 179.24 178.44 2o6k h TYR 46 N 0.67 -0.36 -0.78 4.55 3.20 -1.00 -2.56 116.97 120.68 2o6k h TYR 46 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2o6k h TYR 46 Cb 0.46 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 2o6k h TYR 46 CO 0.03 -0.22 0.45 0.82 -1.64 0.00 0.00 178.16 177.60 2o6k h ILE 47 N -0.40 1.23 -0.63 1.81 2.04 -1.19 -2.50 117.51 117.88 2o6k h ILE 47 Ca -0.04 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.31 2o6k h ILE 47 Cb 0.30 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2o6k h ILE 47 CO 0.07 0.25 0.41 -0.33 0.00 0.00 0.00 178.15 178.55 2o6k h GLU 48 N 1.08 0.75 -0.41 2.37 5.08 -1.21 -3.02 114.58 119.22 2o6k h GLU 48 Ca 0.28 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2o6k h GLU 48 Cb -0.00 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2o6k h GLU 48 CO -0.05 0.50 0.00 0.25 -1.00 0.00 0.00 179.01 178.71 2o6k n THR 49 N -4.46 0.57 -5.07 1.13 -2.24 -0.97 -4.93 114.28 98.32 2o6k n THR 49 Ca 0.07 -0.78 -0.31 0.00 -2.27 0.00 0.00 64.05 60.76 2o6k n THR 49 Cb 0.10 0.92 -0.17 0.00 -2.10 0.00 0.00 70.33 69.08 2o6k n THR 49 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2o6k s HIS 50 N -1.38 2.45 -0.69 4.78 3.76 -1.05 -5.03 115.29 118.13 2o6k s HIS 50 Ca 0.38 -1.04 0.26 0.00 -0.15 0.00 0.00 55.06 54.51 2o6k s HIS 50 Cb 0.22 -1.65 0.77 0.00 1.11 0.00 0.00 32.58 33.03 2o6k s HIS 50 CO 0.30 -0.43 1.76 0.78 -0.85 0.00 0.00 174.74 176.30 2o6k h GLY 51 N 6.84 0.00 2.00 -2.22 0.00 -1.91 -2.63 103.07 105.14 2o6k h GLY 51 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2o6k h GLY 51 CO 0.48 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.11 2o6k n ASP 52 N -2.35 0.53 -4.41 0.19 5.75 -1.26 -4.48 116.55 110.52 2o6k n ASP 52 Ca 0.05 0.61 -0.39 0.00 -0.01 0.00 0.00 54.79 55.05 2o6k n ASP 52 Cb 0.43 -0.73 -0.11 0.00 -1.03 0.00 0.00 41.12 39.68 2o6k n ASP 52 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2o6k s PHE 53 N -3.20 3.20 0.00 2.11 0.08 -0.99 -4.90 117.98 114.28 2o6k s PHE 53 Ca 0.07 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.36 2o6k s PHE 53 Cb 0.11 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 2o6k s PHE 53 CO 0.42 -0.54 0.28 0.25 -0.10 0.00 0.00 175.22 175.52 2o6k n THR 54 N 4.98 0.05 -1.70 0.64 -2.24 -1.26 -4.88 114.28 109.87 2o6k n THR 54 Ca -0.13 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.04 2o6k n THR 54 Cb 0.48 1.47 0.07 0.00 -2.10 0.00 0.00 70.33 70.25 2o6k n THR 54 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2o6k s LEU 55 N -0.05 3.54 0.00 3.22 1.43 -1.26 -5.18 118.68 120.38 2o6k s LEU 55 Ca 0.00 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 2o6k s LEU 55 Cb 0.00 -4.62 0.00 0.00 0.03 0.00 0.00 46.19 41.60 2o6k s LEU 55 CO 0.00 -2.05 0.00 -2.65 0.23 0.00 0.00 176.35 171.88 2o6k n PRO 56 N -2.00 2.38 0.00 1.29 -0.02 -1.26 -4.91 135.00 130.48 2o6k n PRO 56 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2o6k n PRO 56 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 2o6k n PRO 56 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2o6k n SER 58 N 0.00 0.00 0.03 2.55 3.41 -1.26 -4.11 113.62 114.24 2o6k n SER 58 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2o6k n SER 58 Cb 0.00 -0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 63.71 2o6k n SER 58 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2o6k h VAL 59 N 0.00 1.16 -0.81 -3.33 2.07 -1.98 -1.13 116.25 112.24 2o6k h VAL 59 Ca 0.00 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.76 2o6k h VAL 59 Cb 0.00 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2o6k h VAL 59 CO 0.00 0.20 0.51 0.15 0.02 0.00 0.00 177.57 178.45 2o6k h PHE 60 N -0.45 0.95 -0.09 1.57 3.57 -1.94 0.61 116.94 121.16 2o6k h PHE 60 Ca -0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2o6k h PHE 60 Cb 0.39 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 2o6k h PHE 60 CO 0.05 0.52 -0.23 -0.44 -2.23 0.00 0.00 178.31 175.97 2o6k h ASP 61 N 0.96 -0.71 0.31 0.41 3.32 -1.88 0.19 116.42 119.02 2o6k h ASP 61 Ca 0.34 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.43 2o6k h ASP 61 Cb 0.08 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2o6k h ASP 61 CO -0.14 -0.29 -0.33 -0.78 -1.72 0.00 0.00 179.24 175.99 2o6k h ASP 62 N -0.32 0.03 -0.33 6.45 3.58 -0.77 -1.20 116.42 123.85 2o6k h ASP 62 Ca 0.09 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 2o6k h ASP 62 Cb 0.45 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2o6k h ASP 62 CO -0.27 0.36 -0.14 0.25 -2.88 0.00 0.00 179.24 176.56 2o6k h LEU 63 N 0.03 0.69 -0.54 2.28 5.85 -0.13 -1.70 115.31 121.79 2o6k h LEU 63 Ca 0.00 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 2o6k h LEU 63 Cb 0.59 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2o6k h LEU 63 CO 0.04 0.93 0.05 0.22 -0.34 0.00 0.00 178.44 179.34 2o6k h TYR 64 N 0.45 0.99 -0.63 1.25 3.20 -0.36 -1.17 116.97 120.70 2o6k h TYR 64 Ca 0.08 -0.15 0.05 0.00 3.14 0.00 0.00 58.73 61.84 2o6k h TYR 64 Cb 0.66 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 2o6k h TYR 64 CO 0.06 0.89 0.35 1.49 -1.64 0.00 0.00 178.16 179.31 2o6k h GLU 65 N 0.80 0.65 -0.66 1.82 4.81 -1.19 -0.46 114.58 120.35 2o6k h GLU 65 Ca 0.16 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2o6k h GLU 65 Cb 0.46 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2o6k h GLU 65 CO 0.02 0.43 0.36 1.49 -0.73 0.00 0.00 179.01 180.57 2o6k h GLU 66 N 0.67 0.93 -0.29 1.92 4.81 -1.09 -2.09 114.58 119.44 2o6k h GLU 66 Ca 0.27 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 2o6k h GLU 66 Cb 0.14 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 2o6k h GLU 66 CO -0.16 0.70 -0.08 -0.92 -0.73 0.00 0.00 179.01 177.83 2o6k h TYR 67 N 0.90 -0.16 -0.80 0.92 3.20 -0.39 0.19 116.97 120.83 2o6k h TYR 67 Ca 0.23 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.15 2o6k h TYR 67 Cb 0.05 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2o6k h TYR 67 CO -0.01 -0.13 0.52 1.79 -1.64 0.00 0.00 178.16 178.69 2o6k h THR 68 N -0.01 1.16 0.16 1.81 1.35 -0.63 0.30 112.91 117.05 2o6k h THR 68 Ca 0.14 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 2o6k h THR 68 Cb 0.22 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 2o6k h THR 68 CO -0.30 0.19 -0.08 -0.08 -0.25 0.00 0.00 175.52 175.00 2o6k h GLU 69 N 1.03 -0.21 -0.97 4.72 4.81 -0.97 -1.40 114.58 121.59 2o6k h GLU 69 Ca 0.31 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.73 2o6k h GLU 69 Cb -0.05 0.05 -0.17 0.00 0.63 0.00 0.00 28.75 29.21 2o6k h GLU 69 CO -0.09 0.01 -0.31 2.35 -0.73 0.00 0.00 179.01 180.24 2o6k h TRP 70 N -0.40 -0.77 -0.32 0.92 7.01 -0.33 -0.87 115.95 121.17 2o6k h TRP 70 Ca -0.02 0.09 0.02 0.00 2.11 0.00 0.00 58.89 61.09 2o6k h TRP 70 Cb 0.32 0.49 -0.03 0.00 -2.10 0.00 0.00 29.16 27.84 2o6k h TRP 70 CO -0.01 -0.41 0.17 1.25 -2.79 0.00 0.00 178.44 176.65 2o6k h LEU 71 N -0.01 0.26 -0.15 0.65 6.46 -0.05 -0.70 115.31 121.77 2o6k h LEU 71 Ca 0.41 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.17 2o6k h LEU 71 Cb 0.66 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 2o6k h LEU 71 CO -0.99 0.19 0.06 0.11 -0.62 0.00 0.00 178.44 177.20 2o6k h LYS 72 N 0.35 0.23 -0.93 1.25 1.57 -0.39 0.35 116.57 118.99 2o6k h LYS 72 Ca 0.13 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.99 2o6k h LYS 72 Cb 0.03 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.22 2o6k h LYS 72 CO -0.08 0.30 0.56 0.74 -0.57 0.00 0.00 179.45 180.39 2o6k h PHE 73 N 0.10 1.00 -0.04 -1.35 -1.00 -1.01 -1.61 116.94 113.04 2o6k h PHE 73 Ca 0.05 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 2o6k h PHE 73 Cb 0.16 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.40 2o6k h PHE 73 CO -0.02 0.38 0.02 1.25 -1.61 0.00 0.00 178.31 178.33 2o6k h LEU 74 N 0.88 0.05 -1.17 1.54 5.85 -0.54 0.28 115.31 122.21 2o6k h LEU 74 Ca 0.46 -0.11 0.19 0.00 0.84 0.00 0.00 57.88 59.26 2o6k h LEU 74 Cb 0.48 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 2o6k h LEU 74 CO -0.27 0.15 0.61 -0.33 -0.34 0.00 0.00 178.44 178.26 2o6k h GLU 75 N -0.05 0.65 -0.00 1.25 5.08 -0.44 -3.28 114.58 117.78 2o6k h GLU 75 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2o6k h GLU 75 Cb 0.11 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2o6k h GLU 75 CO -0.00 0.43 -0.11 1.58 -1.00 0.00 0.00 179.01 179.91 2o6k n HIS 76 N -4.67 0.00 0.29 4.33 -0.00 -0.65 -5.11 115.22 109.41 2o6k n HIS 76 Ca 0.22 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.43 2o6k n HIS 76 Cb 0.60 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.49 2o6k n HIS 76 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52