#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diu n SER 2 N 0.00 0.62 -4.50 1.61 7.64 -1.26 -4.99 113.62 112.74 2diu n SER 2 Ca 0.00 0.12 -0.42 0.00 1.01 0.00 0.00 58.87 59.58 2diu n SER 2 Cb 0.00 -0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 62.96 2diu n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2diu n SER 3 N -3.30 1.51 0.00 6.43 3.41 -1.26 -4.53 113.62 115.88 2diu n SER 3 Ca 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2diu n SER 3 Cb 0.15 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 2diu n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2diu n GLY 4 N 6.36 3.67 3.60 5.00 0.00 -1.26 -5.15 105.19 117.41 2diu n GLY 4 Ca 0.49 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 2diu n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2diu s SER 5 N 0.00 3.97 -0.19 1.61 0.15 -1.26 -5.12 113.70 112.86 2diu s SER 5 Ca 0.00 -1.15 -0.04 0.00 0.70 0.00 0.00 55.95 55.46 2diu s SER 5 Cb 0.00 -0.43 0.09 0.00 -1.71 0.00 0.00 66.02 63.97 2diu s SER 5 CO 0.00 -0.28 0.22 -0.44 1.20 0.00 0.00 173.24 173.93 2diu s SER 6 N -3.69 1.31 -0.04 5.45 0.01 -1.26 -5.14 113.70 110.35 2diu s SER 6 Ca 0.34 -0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.42 2diu s SER 6 Cb 0.03 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.66 2diu s SER 6 CO 0.18 -0.32 0.09 -0.83 0.41 0.00 0.00 173.24 172.77 2diu s GLY 7 N 2.32 -0.01 0.27 3.44 0.00 -1.26 -5.03 107.32 107.05 2diu s GLY 7 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.18 2diu s GLY 7 CO -0.11 0.58 1.72 0.00 0.00 0.00 0.00 173.10 175.28 2diu n HIS 9 N -4.99 -1.56 -3.64 0.00 -0.00 -1.25 -4.73 115.22 99.05 2diu n HIS 9 Ca 0.19 0.41 -0.27 0.00 -0.00 0.00 0.00 57.72 58.05 2diu n HIS 9 Cb 0.53 -1.47 -0.16 0.00 -0.00 0.00 0.00 29.99 28.89 2diu n HIS 9 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2diu s THR 10 N -2.10 0.15 0.17 1.59 2.01 0.73 -4.90 115.64 113.28 2diu s THR 10 Ca 0.45 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 2diu s THR 10 Cb -0.01 -0.86 -0.07 0.00 0.01 0.00 0.00 72.50 71.58 2diu s THR 10 CO 0.67 -0.38 0.53 -0.76 -0.69 0.00 0.00 174.62 174.00 2diu s LEU 11 N 2.02 4.29 0.19 4.42 1.43 -1.26 -0.02 118.68 129.74 2diu s LEU 11 Ca 0.03 1.00 0.09 0.00 -1.03 0.00 0.00 54.13 54.22 2diu s LEU 11 Cb -0.16 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2diu s LEU 11 CO -0.15 0.06 -0.05 -0.76 0.23 0.00 0.00 176.35 175.67 2diu s LEU 12 N -2.22 3.11 -0.21 1.79 1.43 -0.81 -4.83 118.68 116.95 2diu s LEU 12 Ca 0.40 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 2diu s LEU 12 Cb -0.14 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.37 2diu s LEU 12 CO 0.20 0.08 -0.12 -0.31 0.23 0.00 0.00 176.35 176.43 2diu s TYR 13 N -1.82 2.64 0.03 0.29 2.02 0.53 -1.93 117.35 119.12 2diu s TYR 13 Ca 0.27 -1.76 -0.03 0.00 -0.37 0.00 0.00 57.07 55.18 2diu s TYR 13 Cb -0.09 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2diu s TYR 13 CO 0.17 -0.78 0.23 0.08 -1.57 0.00 0.00 175.55 173.68 2diu s VAL 14 N 1.32 5.36 0.29 0.71 1.01 0.62 -0.12 120.40 129.59 2diu s VAL 14 Ca -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2diu s VAL 14 Cb -0.17 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2diu s VAL 14 CO -0.08 0.26 0.24 -0.31 0.00 0.00 0.00 175.10 175.21 2diu s TYR 15 N -1.40 1.53 -1.23 5.22 1.51 0.23 -1.20 117.35 122.00 2diu s TYR 15 Ca 0.31 -1.55 -0.01 0.00 -1.01 0.00 0.00 57.07 54.80 2diu s TYR 15 Cb -0.13 -0.64 -0.01 0.00 -0.11 0.00 0.00 41.96 41.08 2diu s TYR 15 CO 0.21 -0.81 0.84 -1.71 -1.11 0.00 0.00 175.55 172.97 2diu n ASN 16 N -1.11 -2.16 -4.90 2.29 2.85 -1.07 -1.29 115.26 109.87 2diu n ASN 16 Ca 0.05 -0.74 -0.31 0.00 -0.11 0.00 0.00 54.58 53.47 2diu n ASN 16 Cb 0.63 -4.54 -0.05 0.00 1.24 0.00 0.00 39.78 37.06 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2diu s LEU 17 N -6.43 4.25 -1.07 1.20 1.43 0.04 -4.20 118.68 113.91 2diu s LEU 17 Ca 0.06 0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 53.54 2diu s LEU 17 Cb -0.01 -3.34 -0.07 0.00 0.03 0.00 0.00 46.19 42.79 2diu s LEU 17 CO 0.78 0.03 1.94 -2.16 0.23 0.00 0.00 176.35 177.17 2diu s PRO 18 N -2.70 2.52 0.22 1.29 0.04 -1.26 -4.72 135.00 130.39 2diu s PRO 18 Ca 0.42 -0.81 -0.07 0.00 0.04 0.00 0.00 61.00 60.58 2diu s PRO 18 Cb -0.12 -5.17 0.36 0.00 0.04 0.00 0.00 34.50 29.61 2diu s PRO 18 CO 0.25 -3.73 1.73 0.00 0.04 0.00 0.00 177.00 175.29 2diu h ALA 19 N 10.37 0.90 -0.72 8.56 0.00 -1.94 -1.26 119.26 135.16 2diu h ALA 19 Ca 0.17 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.33 2diu h ALA 19 Cb 0.97 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 2diu h ALA 19 CO 1.22 -0.20 0.22 -0.91 0.00 0.00 0.00 179.25 179.57 2diu h ASN 20 N 0.41 0.11 -2.53 0.00 4.21 -2.00 -3.38 115.58 112.41 2diu h ASN 20 Ca 0.36 0.13 -0.57 0.00 1.21 0.00 0.00 56.30 57.43 2diu h ASN 20 Cb 0.49 0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.82 2diu h ASN 20 CO -0.36 0.02 1.31 -0.54 -1.29 0.00 0.00 177.43 176.57 2diu s LYS 21 N -6.04 3.23 -0.13 0.81 -0.14 -0.47 -4.87 119.74 112.12 2diu s LYS 21 Ca -0.13 1.40 -0.32 0.00 -1.36 0.00 0.00 55.97 55.56 2diu s LYS 21 Cb 0.21 -4.24 -0.15 0.00 -1.68 0.00 0.00 37.83 31.97 2diu s LYS 21 CO 0.76 -1.99 0.95 -0.25 -0.76 0.00 0.00 175.35 174.06 2diu n ASP 22 N 10.74 0.30 -0.24 2.83 9.92 -1.26 -4.49 116.55 134.36 2diu n ASP 22 Ca 0.23 0.89 0.03 0.00 -0.53 0.00 0.00 54.79 55.41 2diu n ASP 22 Cb 0.47 -0.69 0.12 0.00 -0.64 0.00 0.00 41.12 40.38 2diu n ASP 22 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2diu h GLY 23 N 2.79 0.68 -0.71 0.44 0.00 -1.89 0.37 103.07 104.75 2diu h GLY 23 Ca -0.37 0.14 0.32 0.00 0.00 0.00 0.00 47.33 47.42 2diu h GLY 23 CO 0.58 -0.26 1.05 0.07 0.00 0.00 0.00 176.54 177.98 2diu h LYS 24 N 0.07 0.00 0.09 4.80 2.10 -2.01 0.48 116.57 122.09 2diu h LYS 24 Ca 0.36 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.66 2diu h LYS 24 Cb 0.60 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.91 2diu h LYS 24 CO -0.65 0.00 -1.97 0.43 -2.00 0.00 0.00 179.45 175.26 2diu n SER 25 N -3.60 2.06 0.37 7.07 7.64 0.13 -4.26 113.62 123.03 2diu n SER 25 Ca 0.24 0.20 -0.18 0.00 1.01 0.00 0.00 58.87 60.14 2diu n SER 25 Cb 1.39 -0.82 -0.09 0.00 -1.01 0.00 0.00 64.21 63.68 2diu n SER 25 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2diu h VAL 26 N -0.13 0.00 0.00 0.44 2.07 0.48 -3.06 116.25 116.05 2diu h VAL 26 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2diu h VAL 26 Cb 1.89 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2diu h VAL 26 CO 0.00 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.05 2diu n SER 27 N -5.36 0.00 -0.27 0.57 3.41 -0.34 -1.02 113.62 110.62 2diu n SER 27 Ca -0.13 0.78 -0.07 0.00 -0.26 0.00 0.00 58.87 59.19 2diu n SER 27 Cb 0.46 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 2diu n SER 27 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2diu n ASN 28 N -2.57 -0.69 -0.31 4.04 5.15 -1.23 0.19 115.26 119.83 2diu n ASN 28 Ca 0.00 1.21 0.17 0.00 -0.60 0.00 0.00 54.58 55.36 2diu n ASN 28 Cb 0.00 -0.17 0.35 0.00 -0.53 0.00 0.00 39.78 39.43 2diu n ASN 28 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2diu h ARG 29 N 0.00 0.14 0.02 1.20 9.65 -0.97 -0.02 114.38 124.41 2diu h ARG 29 Ca 0.10 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2diu h ARG 29 Cb 0.27 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2diu h ARG 29 CO -0.61 0.10 -0.01 -0.07 2.80 0.00 0.00 179.97 182.17 2diu h LEU 30 N 0.15 -0.02 -0.89 3.80 4.07 0.27 -3.22 115.31 119.46 2diu h LEU 30 Ca 0.62 -0.64 0.20 0.00 0.08 0.00 0.00 57.88 58.15 2diu h LEU 30 Cb 1.36 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.94 2diu h LEU 30 CO -0.72 0.65 -0.13 0.54 -1.08 0.00 0.00 178.44 177.69 2diu n ARG 31 N -4.78 -0.08 -0.12 1.13 1.74 0.87 0.12 116.66 115.54 2diu n ARG 31 Ca -0.09 1.37 -0.09 0.00 -0.77 0.00 0.00 57.85 58.28 2diu n ARG 31 Cb 0.33 -2.10 -0.01 0.00 -1.02 0.00 0.00 32.46 29.66 2diu n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diu h ARG 32 N 0.00 0.52 0.00 5.56 2.47 -1.48 0.70 114.38 122.15 2diu h ARG 32 Ca 0.47 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 59.12 2diu h ARG 32 Cb 0.83 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2diu h ARG 32 CO -0.89 0.42 -0.08 -0.07 0.56 0.00 0.00 179.97 179.91 2diu h LEU 33 N 0.48 0.00 0.00 3.04 3.38 0.88 -2.48 115.31 120.62 2diu h LEU 33 Ca 0.13 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.79 2diu h LEU 33 Cb 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2diu h LEU 33 CO -0.02 0.08 -1.87 -1.20 0.09 0.00 0.00 178.44 175.51 2diu n SER 34 N -3.45 0.66 -0.09 -0.43 7.64 0.74 -3.58 113.62 115.11 2diu n SER 34 Ca -0.02 0.32 -0.00 0.00 1.01 0.00 0.00 58.87 60.18 2diu n SER 34 Cb 0.22 0.19 0.27 0.00 -1.01 0.00 0.00 64.21 63.89 2diu n SER 34 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2diu h ASP 35 N 0.00 0.67 1.10 6.43 1.82 0.85 0.48 116.42 127.77 2diu h ASP 35 Ca -0.35 -0.08 -0.18 0.00 -0.39 0.00 0.00 57.03 56.02 2diu h ASP 35 Cb 2.07 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 41.88 2diu h ASP 35 CO 0.07 0.61 -0.88 -1.13 -1.61 0.00 0.00 179.24 176.30 2diu h ASN 36 N 0.72 0.00 -0.60 2.28 -0.73 -1.66 -3.23 115.58 112.36 2diu h ASN 36 Ca 0.17 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 58.05 2diu h ASN 36 Cb 0.16 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 38.58 2diu h ASN 36 CO -0.02 0.88 0.37 0.00 -0.37 0.00 0.00 177.43 178.29 2diu n GLY 38 N -0.43 -0.27 3.23 0.00 0.00 -1.03 -4.53 105.19 102.16 2diu n GLY 38 Ca 0.36 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 46.34 2diu n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2diu n GLY 39 N -2.22 3.12 3.22 -0.02 0.00 0.16 -4.10 105.19 105.35 2diu n GLY 39 Ca -0.29 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.60 2diu n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2diu s LYS 40 N -3.44 0.35 -0.96 1.61 2.36 -0.78 -4.16 119.74 114.71 2diu s LYS 40 Ca 0.28 0.74 -0.24 0.00 -2.55 0.00 0.00 55.97 54.21 2diu s LYS 40 Cb 0.01 -0.03 0.04 0.00 -1.05 0.00 0.00 37.83 36.80 2diu s LYS 40 CO 0.20 -0.17 1.46 0.54 1.55 0.00 0.00 175.35 178.93 2diu s VAL 41 N 1.43 3.85 0.13 4.02 0.11 -1.26 0.53 120.40 129.22 2diu s VAL 41 Ca -0.09 -0.52 -0.25 0.00 -2.93 0.00 0.00 61.98 58.19 2diu s VAL 41 Cb -0.09 -4.95 -0.02 0.00 -1.53 0.00 0.00 36.38 29.79 2diu s VAL 41 CO -0.12 -1.85 1.63 -0.07 -3.33 0.00 0.00 175.10 171.36 2diu h LEU 42 N 13.21 -0.81 -7.78 2.54 3.38 -1.52 -3.46 115.31 120.87 2diu h LEU 42 Ca 0.11 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.25 2diu h LEU 42 Cb 1.02 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 2diu h LEU 42 CO 1.39 -0.32 0.22 -0.44 0.09 0.00 0.00 178.44 179.38 2diu s SER 43 N -4.95 -0.33 -0.25 -0.43 0.01 -1.13 -5.05 113.70 101.58 2diu s SER 43 Ca -0.15 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 56.60 2diu s SER 43 Cb 0.10 0.70 0.08 0.00 0.21 0.00 0.00 66.02 67.11 2diu s SER 43 CO 0.67 -1.26 0.08 -0.63 0.41 0.00 0.00 173.24 172.50 2diu s ILE 44 N -3.88 0.47 -0.08 1.44 1.01 -1.26 -1.51 121.20 117.39 2diu s ILE 44 Ca 0.09 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2diu s ILE 44 Cb -0.05 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 2diu s ILE 44 CO 0.03 -0.46 0.10 0.42 0.00 0.00 0.00 174.94 175.03 2diu s THR 45 N 1.85 5.09 0.00 2.92 -4.23 -0.79 -4.96 115.64 115.52 2diu s THR 45 Ca 0.04 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2diu s THR 45 Cb -0.17 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.43 2diu s THR 45 CO -0.19 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 2diu n GLY 46 N 1.77 1.62 0.66 3.99 0.00 -1.26 0.31 105.19 112.28 2diu n GLY 46 Ca -0.17 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.73 2diu n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diu s SER 48 N -0.76 3.97 0.06 0.00 1.04 0.15 -0.78 113.70 117.37 2diu s SER 48 Ca 0.19 -1.38 -0.18 0.00 0.48 0.00 0.00 55.95 55.05 2diu s SER 48 Cb 0.11 -0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.00 2diu s SER 48 CO 0.10 -0.52 0.42 0.00 0.98 0.00 0.00 173.24 174.22 2diu s ALA 49 N -2.72 -1.03 -0.09 5.32 0.00 -0.34 -1.88 121.76 121.01 2diu s ALA 49 Ca 0.31 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.56 2diu s ALA 49 Cb 0.08 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.63 2diu s ALA 49 CO 0.16 -0.49 -0.11 0.42 0.00 0.00 0.00 175.76 175.74 2diu s ILE 50 N -2.71 1.15 0.39 0.00 1.01 -0.57 -0.28 121.20 120.20 2diu s ILE 50 Ca -0.04 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.26 2diu s ILE 50 Cb -0.00 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 2diu s ILE 50 CO -0.04 0.37 0.18 -0.76 0.00 0.00 0.00 174.94 174.69 2diu s LEU 51 N 1.17 3.18 -0.15 2.97 1.02 -0.81 -1.34 118.68 124.70 2diu s LEU 51 Ca -0.05 -0.95 -0.01 0.00 0.02 0.00 0.00 54.13 53.14 2diu s LEU 51 Cb -0.14 -1.58 0.04 0.00 0.02 0.00 0.00 46.19 44.53 2diu s LEU 51 CO -0.03 -0.47 -0.03 -0.60 0.02 0.00 0.00 176.35 175.25 2diu s ARG 52 N -3.90 1.16 0.22 1.70 6.06 0.19 -1.92 118.95 122.46 2diu s ARG 52 Ca 0.40 -0.40 0.09 0.00 -2.50 0.00 0.00 55.73 53.32 2diu s ARG 52 Cb 0.01 -1.85 -0.04 0.00 0.06 0.00 0.00 34.95 33.12 2diu s ARG 52 CO 0.23 -0.45 -0.01 -0.06 -2.50 0.00 0.00 175.30 172.51 2diu s PHE 53 N 1.73 2.75 0.00 5.12 0.40 0.97 -1.87 117.98 127.09 2diu s PHE 53 Ca 0.01 -0.19 -0.25 0.00 -0.60 0.00 0.00 56.93 55.90 2diu s PHE 53 Cb -0.15 -1.28 -0.19 0.00 0.51 0.00 0.00 43.02 41.91 2diu s PHE 53 CO -0.07 0.56 1.37 0.97 0.70 0.00 0.00 175.22 178.74 2diu h ILE 54 N 2.24 1.31 -4.42 0.64 2.10 -1.82 0.21 117.51 117.76 2diu h ILE 54 Ca -0.46 -0.93 -0.26 0.00 1.08 0.00 0.00 64.86 64.30 2diu h ILE 54 Cb 1.22 1.92 -0.15 0.00 -1.09 0.00 0.00 36.82 38.72 2diu h ILE 54 CO 0.58 0.24 -0.62 0.54 -1.08 0.00 0.00 178.15 177.82 2diu s ASN 55 N -5.62 0.36 0.12 2.19 2.20 -1.26 -3.93 114.94 109.00 2diu s ASN 55 Ca -0.15 -1.38 -0.31 0.00 -0.94 0.00 0.00 52.86 50.08 2diu s ASN 55 Cb 0.03 0.33 -0.10 0.00 -2.00 0.00 0.00 41.25 39.51 2diu s ASN 55 CO 0.68 -0.81 1.57 -0.61 -2.94 0.00 0.00 177.10 174.99 2diu h GLN 56 N 2.59 -0.59 -0.57 3.55 4.15 -1.91 -2.04 115.11 120.29 2diu h GLN 56 Ca -0.36 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.15 2diu h GLN 56 Cb 1.25 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 29.00 2diu h GLN 56 CO 0.55 -0.39 -0.34 -3.47 -1.93 0.00 0.00 178.83 173.25 2diu n ASP 57 N -5.46 -0.61 -0.30 -0.69 -0.08 -1.26 0.90 116.55 109.06 2diu n ASP 57 Ca -0.06 1.30 0.09 0.00 -1.51 0.00 0.00 54.79 54.60 2diu n ASP 57 Cb 0.38 -0.27 0.25 0.00 2.34 0.00 0.00 41.12 43.82 2diu n ASP 57 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2diu h SER 58 N 0.00 0.52 0.30 1.67 0.02 -1.79 0.29 113.55 114.57 2diu h SER 58 Ca 0.09 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2diu h SER 58 Cb 0.23 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2diu h SER 58 CO -0.54 0.19 -0.27 0.00 -1.14 0.00 0.00 176.83 175.08 2diu h ALA 59 N 1.59 1.50 0.35 3.77 0.00 0.12 -3.22 119.26 123.37 2diu h ALA 59 Ca 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2diu h ALA 59 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2diu h ALA 59 CO -0.39 0.33 -0.17 0.93 0.00 0.00 0.00 179.25 179.96 2diu h GLU 60 N 0.00 -0.45 -1.52 0.00 5.08 0.36 -0.54 114.58 117.51 2diu h GLU 60 Ca -0.00 0.03 0.47 0.00 -1.00 0.00 0.00 59.36 58.86 2diu h GLU 60 Cb 0.49 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.75 2diu h GLU 60 CO 0.03 -0.30 1.05 0.54 -1.00 0.00 0.00 179.01 179.33 2diu n ARG 61 N -3.93 -0.02 0.07 2.33 1.74 -0.86 0.23 116.66 116.23 2diu n ARG 61 Ca -0.06 1.04 -0.21 0.00 -0.77 0.00 0.00 57.85 57.85 2diu n ARG 61 Cb 0.19 -2.22 -0.15 0.00 -1.02 0.00 0.00 32.46 29.26 2diu n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diu h ALA 62 N 1.14 0.18 0.00 7.54 0.00 -1.55 -2.56 119.26 124.00 2diu h ALA 62 Ca 0.82 -1.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2diu h ALA 62 Cb 2.98 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 21.16 2diu h ALA 62 CO -0.20 1.05 -0.34 0.37 0.00 0.00 0.00 179.25 180.12 2diu h GLN 63 N 0.10 0.00 0.00 0.00 -0.00 0.45 0.17 115.11 115.83 2diu h GLN 63 Ca -0.31 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.23 2diu h GLN 63 Cb 2.08 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.54 2diu h GLN 63 CO 0.18 0.34 -1.15 1.57 0.00 0.00 0.00 178.83 179.76 2diu h LYS 64 N 0.00 0.00 0.00 1.69 5.09 -0.50 -3.22 116.57 119.63 2diu h LYS 64 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2diu h LYS 64 Cb 0.64 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.97 2diu h LYS 64 CO 0.04 0.20 -0.22 -0.09 -2.09 0.00 0.00 179.45 177.30 2diu h ARG 65 N 0.00 0.00 -0.49 0.07 9.65 -1.13 -3.36 114.38 119.11 2diu h ARG 65 Ca -0.09 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.89 2diu h ARG 65 Cb 1.36 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.85 2diu h ARG 65 CO 0.03 0.00 -0.05 0.52 2.80 0.00 0.00 179.97 183.27 2diu h MET 66 N -0.68 0.06 -1.19 0.20 2.86 -0.89 0.30 114.93 115.59 2diu h MET 66 Ca 0.00 -0.00 0.41 0.00 -2.06 0.00 0.00 59.70 58.05 2diu h MET 66 Cb 0.22 -0.01 -0.15 0.00 0.06 0.00 0.00 31.60 31.72 2diu h MET 66 CO 0.00 0.04 0.72 1.05 1.06 0.00 0.00 176.91 179.78 2diu h GLU 67 N 0.06 0.09 0.00 1.72 4.11 -1.70 0.61 114.58 119.48 2diu h GLU 67 Ca 0.25 -0.01 -0.30 0.00 0.07 0.00 0.00 59.36 59.37 2diu h GLU 67 Cb 0.38 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2diu h GLU 67 CO -0.46 0.06 -1.92 0.09 0.07 0.00 0.00 179.01 176.85 2diu n ASN 68 N -4.91 0.55 -4.61 3.06 5.03 -0.05 -4.35 115.26 109.99 2diu n ASN 68 Ca 0.37 0.26 -0.30 0.00 0.87 0.00 0.00 54.58 55.78 2diu n ASN 68 Cb 1.33 0.36 0.20 0.00 -1.02 0.00 0.00 39.78 40.65 2diu n ASN 68 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2diu s GLU 69 N -2.61 0.29 -0.33 3.52 2.56 0.21 -4.84 118.70 117.51 2diu s GLU 69 Ca -0.06 1.30 -0.01 0.00 0.00 0.00 0.00 54.97 56.20 2diu s GLU 69 Cb 0.07 -1.66 0.11 0.00 2.00 0.00 0.00 34.13 34.66 2diu s GLU 69 CO 0.83 -3.04 0.15 -0.51 -0.56 0.00 0.00 175.26 172.12 2diu s ASP 70 N -2.61 3.65 0.27 -1.70 1.01 -1.26 -3.05 116.67 112.98 2diu s ASP 70 Ca 0.67 -1.82 -0.10 0.00 0.71 0.00 0.00 52.55 52.01 2diu s ASP 70 Cb -0.24 -0.68 0.41 0.00 1.01 0.00 0.00 42.92 43.41 2diu s ASP 70 CO 0.60 -0.38 1.56 0.58 0.21 0.00 0.00 175.17 177.75 2diu h VAL 71 N 5.99 0.03 -0.99 -1.27 2.07 -1.92 -3.40 116.25 116.75 2diu h VAL 71 Ca -0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.57 2diu h VAL 71 Cb 0.99 0.03 -0.21 0.00 -1.52 0.00 0.00 31.29 30.57 2diu h VAL 71 CO 0.43 0.00 -0.04 -0.36 0.02 0.00 0.00 177.57 177.62 2diu s PHE 72 N -6.20 -1.09 -1.28 1.57 0.08 -1.26 -4.95 117.98 104.85 2diu s PHE 72 Ca -0.15 1.40 -0.16 0.00 0.12 0.00 0.00 56.93 58.14 2diu s PHE 72 Cb 0.25 0.47 0.16 0.00 -0.57 0.00 0.00 43.02 43.34 2diu s PHE 72 CO 0.77 -0.58 0.41 0.41 -0.10 0.00 0.00 175.22 176.12 2diu n GLY 73 N 5.35 -0.30 3.64 4.36 0.00 -1.26 -4.82 105.19 112.17 2diu n GLY 73 Ca -0.06 0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 2diu n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2diu s ASN 74 N -2.55 -0.57 0.01 1.61 2.47 -1.26 -5.10 114.94 109.55 2diu s ASN 74 Ca 0.57 0.98 -0.26 0.00 0.42 0.00 0.00 52.86 54.57 2diu s ASN 74 Cb -0.33 1.14 -0.04 0.00 -1.45 0.00 0.00 41.25 40.56 2diu s ASN 74 CO 0.70 -0.16 0.81 -0.60 -3.72 0.00 0.00 177.10 174.13 2diu s ARG 75 N 0.93 4.51 0.13 0.43 3.52 -1.26 -3.34 118.95 123.88 2diu s ARG 75 Ca -0.04 1.13 0.01 0.00 -0.13 0.00 0.00 55.73 56.70 2diu s ARG 75 Cb -0.04 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 2diu s ARG 75 CO -0.12 0.14 0.28 0.96 -0.81 0.00 0.00 175.30 175.76 2diu s ILE 76 N 0.43 5.32 -0.14 4.11 -4.36 -1.17 -4.79 121.20 120.61 2diu s ILE 76 Ca 0.42 -0.57 0.02 0.00 -0.26 0.00 0.00 60.65 60.26 2diu s ILE 76 Cb -0.20 -3.71 0.00 0.00 1.25 0.00 0.00 42.46 39.80 2diu s ILE 76 CO 0.23 -0.04 -0.19 -0.63 0.24 0.00 0.00 174.94 174.55 2diu s ILE 77 N -1.70 2.42 -0.14 8.37 1.01 -0.41 -4.10 121.20 126.64 2diu s ILE 77 Ca 0.35 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2diu s ILE 77 Cb -0.11 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 2diu s ILE 77 CO 0.28 0.54 -0.09 -0.69 0.00 0.00 0.00 174.94 174.98 2diu s VAL 78 N 0.65 3.43 0.03 2.92 1.01 -1.26 0.75 120.40 127.93 2diu s VAL 78 Ca -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2diu s VAL 78 Cb -0.16 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2diu s VAL 78 CO 0.02 0.51 -0.04 -0.55 0.00 0.00 0.00 175.10 175.05 2diu s SER 79 N 0.37 0.38 0.22 3.32 0.15 0.83 -4.90 113.70 114.06 2diu s SER 79 Ca -0.08 -0.62 0.17 0.00 0.70 0.00 0.00 55.95 56.13 2diu s SER 79 Cb -0.15 0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.30 2diu s SER 79 CO 0.04 -0.36 1.23 -0.26 1.20 0.00 0.00 173.24 175.10 2diu h PHE 80 N 4.28 0.00 -2.67 3.44 -1.00 -1.88 0.15 116.94 119.27 2diu h PHE 80 Ca -0.33 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 59.87 2diu h PHE 80 Cb 1.19 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.66 2diu h PHE 80 CO 0.63 0.40 -0.62 0.95 -1.61 0.00 0.00 178.31 178.07 2diu s THR 81 N -3.03 3.98 0.34 -1.55 -4.23 -1.26 -4.76 115.64 105.13 2diu s THR 81 Ca 0.02 -1.39 -0.28 0.00 -1.18 0.00 0.00 61.69 58.86 2diu s THR 81 Cb 0.08 -3.04 -0.10 0.00 1.34 0.00 0.00 72.50 70.78 2diu s THR 81 CO 0.76 -0.17 1.22 -2.16 -0.54 0.00 0.00 174.62 173.73 2diu s PRO 82 N -3.18 4.33 -0.67 3.99 0.04 -1.26 -4.88 135.00 133.37 2diu s PRO 82 Ca 0.29 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.33 2diu s PRO 82 Cb -0.09 -2.98 0.42 0.00 0.04 0.00 0.00 34.50 31.89 2diu s PRO 82 CO 0.21 -0.14 1.89 1.63 0.04 0.00 0.00 177.00 180.64 2diu n LYS 83 N 0.67 2.85 -0.03 4.56 5.02 -1.26 -4.63 118.16 125.34 2diu n LYS 83 Ca 0.01 -3.52 -0.15 0.00 -2.02 0.00 0.00 58.31 52.64 2diu n LYS 83 Cb 0.44 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 33.05 2diu n LYS 83 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2diu h ASN 84 N 2.33 0.21 -4.94 4.39 -0.73 -2.07 -3.47 115.58 111.30 2diu h ASN 84 Ca 0.56 -0.76 -0.18 0.00 1.87 0.00 0.00 56.30 57.78 2diu h ASN 84 Cb 0.68 -0.06 -0.15 0.00 0.27 0.00 0.00 38.32 39.06 2diu h ASN 84 CO 1.42 0.95 -0.68 -0.13 -0.37 0.00 0.00 177.43 178.62 2diu s ARG 85 N -3.17 0.77 -0.03 6.67 3.00 -1.26 -5.16 118.95 119.77 2diu s ARG 85 Ca -0.16 -1.31 0.07 0.00 0.00 0.00 0.00 55.73 54.32 2diu s ARG 85 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 34.95 34.95 2diu s ARG 85 CO 0.74 -0.09 -0.22 -2.00 0.00 0.00 0.00 175.30 173.73 2diu s GLU 86 N -3.90 1.93 -0.06 3.54 2.56 -1.26 -5.09 118.70 116.42 2diu s GLU 86 Ca 0.12 -0.80 -0.14 0.00 0.00 0.00 0.00 54.97 54.14 2diu s GLU 86 Cb 0.07 -1.80 0.03 0.00 2.00 0.00 0.00 34.13 34.42 2diu s GLU 86 CO -0.06 0.45 0.34 -0.48 -0.56 0.00 0.00 175.26 174.95 2diu s LEU 87 N -0.42 0.72 -0.86 2.70 0.05 -1.26 -5.06 118.68 114.55 2diu s LEU 87 Ca 0.06 0.35 -0.02 0.00 0.05 0.00 0.00 54.13 54.57 2diu s LEU 87 Cb -0.10 1.29 0.35 0.00 -2.05 0.00 0.00 46.19 45.68 2diu s LEU 87 CO 0.00 -0.33 2.01 0.00 -0.55 0.00 0.00 176.35 177.49 2diu s GLU 89 N -4.09 3.60 -0.88 0.00 2.12 -1.26 -5.00 118.70 113.18 2diu s GLU 89 Ca 0.51 -0.02 -0.23 0.00 0.36 0.00 0.00 54.97 55.58 2diu s GLU 89 Cb 0.42 -3.84 0.06 0.00 0.26 0.00 0.00 34.13 31.04 2diu s GLU 89 CO -0.40 -0.80 1.29 0.99 -0.54 0.00 0.00 175.26 175.81 2diu s THR 90 N 2.75 4.04 0.22 -1.70 2.01 -1.26 -4.92 115.64 116.78 2diu s THR 90 Ca 0.24 -0.52 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 2diu s THR 90 Cb -0.14 -4.93 0.04 0.00 0.01 0.00 0.00 72.50 67.48 2diu s THR 90 CO 0.16 -1.79 0.85 -0.44 -0.69 0.00 0.00 174.62 172.71 2diu s SER 91 N 4.27 -0.21 -0.12 3.53 0.01 -1.26 -5.08 113.70 114.84 2diu s SER 91 Ca 0.38 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 57.09 2diu s SER 91 Cb -0.05 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.79 2diu s SER 91 CO -0.01 -1.12 0.12 0.61 0.41 0.00 0.00 173.24 173.26 2diu n GLY 92 N -0.47 -1.72 3.77 3.44 0.00 -1.26 -5.02 105.19 103.92 2diu n GLY 92 Ca -0.05 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2diu n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diu s PRO 93 N -1.16 2.59 -0.42 1.61 0.04 -1.26 -5.00 135.00 131.41 2diu s PRO 93 Ca 0.05 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.22 2diu s PRO 93 Cb -0.01 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.61 2diu s PRO 93 CO 0.24 -1.40 0.47 -1.12 0.04 0.00 0.00 177.00 175.24 2diu s SER 94 N -2.90 6.22 0.07 6.66 0.01 -1.26 -5.05 113.70 117.46 2diu s SER 94 Ca 0.65 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 57.41 2diu s SER 94 Cb -0.19 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2diu s SER 94 CO 0.47 -0.60 -0.16 -0.55 0.41 0.00 0.00 173.24 172.81 2diu s SER 95 N 1.84 1.90 0.00 2.44 0.15 -1.26 -5.34 113.70 113.43 2diu s SER 95 Ca 0.14 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2diu s SER 95 Cb -0.16 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2diu s SER 95 CO 0.14 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.18