#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diu s SER 2 N 0.00 4.01 -0.51 1.61 1.04 -1.26 -4.94 113.70 113.65 2diu s SER 2 Ca 0.00 1.99 -0.28 0.00 0.48 0.00 0.00 55.95 58.14 2diu s SER 2 Cb 0.00 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.61 2diu s SER 2 CO 0.00 -2.37 1.09 -0.55 0.98 0.00 0.00 173.24 172.39 2diu s SER 3 N -3.02 6.54 0.00 7.02 0.15 -1.26 -4.35 113.70 118.78 2diu s SER 3 Ca 0.64 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.54 2diu s SER 3 Cb -0.20 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2diu s SER 3 CO 0.55 -1.27 0.00 0.61 1.20 0.00 0.00 173.24 174.33 2diu n GLY 4 N 4.94 1.93 3.58 9.45 0.00 -1.26 -5.00 105.19 118.83 2diu n GLY 4 Ca 0.09 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 2diu n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diu s SER 5 N -4.00 4.67 0.06 1.61 0.01 -1.26 -4.77 113.70 110.02 2diu s SER 5 Ca 0.00 -1.46 -0.31 0.00 1.31 0.00 0.00 55.95 55.49 2diu s SER 5 Cb 0.00 -2.59 -0.16 0.00 0.21 0.00 0.00 66.02 63.48 2diu s SER 5 CO 0.00 -3.45 1.47 0.28 0.41 0.00 0.00 173.24 171.96 2diu h SER 6 N 10.22 -1.08 -4.26 2.44 0.02 -1.95 -3.43 113.55 115.51 2diu h SER 6 Ca 0.17 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2diu h SER 6 Cb 0.95 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2diu h SER 6 CO 1.18 -0.63 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 2diu n GLY 7 N -1.52 -2.67 2.57 -3.77 0.00 -1.26 -4.74 105.19 93.80 2diu n GLY 7 Ca -0.12 -1.67 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 2diu n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diu s HIS 9 N -3.26 1.53 -0.19 0.00 0.09 -1.26 -4.53 115.29 107.66 2diu s HIS 9 Ca 0.39 -0.71 -0.05 0.00 -0.00 0.00 0.00 55.06 54.69 2diu s HIS 9 Cb 0.41 -2.20 0.06 0.00 -0.00 0.00 0.00 32.58 30.85 2diu s HIS 9 CO -0.08 -1.06 0.09 0.99 -0.00 0.00 0.00 174.74 174.68 2diu s THR 10 N -2.65 -0.02 0.17 1.30 2.01 0.51 -4.83 115.64 112.13 2diu s THR 10 Ca 0.60 -0.27 -0.13 0.00 0.31 0.00 0.00 61.69 62.19 2diu s THR 10 Cb -0.06 -0.67 -0.07 0.00 0.01 0.00 0.00 72.50 71.72 2diu s THR 10 CO 0.38 -0.32 0.56 -0.76 -0.69 0.00 0.00 174.62 173.78 2diu s LEU 11 N 2.10 4.30 0.08 4.42 1.43 -1.26 -0.28 118.68 129.47 2diu s LEU 11 Ca 0.03 1.05 0.07 0.00 -1.03 0.00 0.00 54.13 54.25 2diu s LEU 11 Cb -0.16 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2diu s LEU 11 CO -0.12 0.06 -0.13 -0.76 0.23 0.00 0.00 176.35 175.62 2diu s LEU 12 N -2.16 2.87 -0.23 1.79 1.43 -0.96 -4.81 118.68 116.60 2diu s LEU 12 Ca 0.40 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2diu s LEU 12 Cb -0.14 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.43 2diu s LEU 12 CO 0.20 0.21 -0.11 -0.31 0.23 0.00 0.00 176.35 176.56 2diu s TYR 13 N -1.10 3.06 0.01 0.29 2.02 0.20 -1.42 117.35 120.41 2diu s TYR 13 Ca 0.18 -1.82 -0.03 0.00 -0.37 0.00 0.00 57.07 55.03 2diu s TYR 13 Cb -0.11 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 2diu s TYR 13 CO 0.10 -0.80 0.21 0.08 -1.57 0.00 0.00 175.55 173.57 2diu s VAL 14 N 1.25 5.39 0.30 0.71 1.01 0.60 -0.18 120.40 129.48 2diu s VAL 14 Ca -0.01 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.89 2diu s VAL 14 Cb -0.17 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2diu s VAL 14 CO -0.07 0.29 0.25 -0.31 0.00 0.00 0.00 175.10 175.26 2diu s TYR 15 N -1.37 1.62 -1.19 5.22 1.51 0.20 -0.95 117.35 122.39 2diu s TYR 15 Ca 0.29 -1.60 -0.07 0.00 -1.01 0.00 0.00 57.07 54.68 2diu s TYR 15 Cb -0.13 -0.67 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 2diu s TYR 15 CO 0.20 -0.83 0.80 -1.71 -1.11 0.00 0.00 175.55 172.90 2diu n ASN 16 N -1.27 -3.62 -4.94 2.29 2.85 -0.93 -1.34 115.26 108.32 2diu n ASN 16 Ca 0.06 -0.83 -0.27 0.00 -0.11 0.00 0.00 54.58 53.44 2diu n ASN 16 Cb 0.63 -4.23 -0.03 0.00 1.24 0.00 0.00 39.78 37.39 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 -6.29 4.26 -0.85 1.20 1.43 -0.45 -4.14 118.68 113.84 2diu s LEU 17 Ca 0.24 0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 53.39 2diu s LEU 17 Cb -0.06 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 2diu s LEU 17 CO 0.80 -0.02 1.94 -2.16 0.23 0.00 0.00 176.35 177.14 2diu s PRO 18 N -3.35 2.56 0.21 1.29 0.04 -1.26 -4.78 135.00 129.71 2diu s PRO 18 Ca 0.37 -0.13 -0.09 0.00 0.04 0.00 0.00 61.00 61.19 2diu s PRO 18 Cb -0.11 -4.94 0.21 0.00 0.04 0.00 0.00 34.50 29.70 2diu s PRO 18 CO 0.29 -3.27 1.84 0.00 0.04 0.00 0.00 177.00 175.90 2diu h ALA 19 N 11.95 0.93 -0.15 8.56 0.00 -1.95 -2.66 119.26 135.94 2diu h ALA 19 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2diu h ALA 19 Cb 1.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2diu h ALA 19 CO 1.21 0.17 -0.02 -0.91 0.00 0.00 0.00 179.25 179.70 2diu h ASN 20 N 0.82 -0.11 -1.98 0.00 2.35 -2.01 -3.40 115.58 111.25 2diu h ASN 20 Ca 0.29 0.04 -0.58 0.00 -0.55 0.00 0.00 56.30 55.50 2diu h ASN 20 Cb 0.08 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2diu h ASN 20 CO -0.13 -0.03 1.50 -0.54 -1.65 0.00 0.00 177.43 176.58 2diu s LYS 21 N -6.20 3.07 -0.04 0.81 -0.14 -1.00 -4.84 119.74 111.40 2diu s LYS 21 Ca -0.13 1.99 -0.34 0.00 -1.36 0.00 0.00 55.97 56.13 2diu s LYS 21 Cb 0.09 -4.39 -0.17 0.00 -1.68 0.00 0.00 37.83 31.69 2diu s LYS 21 CO 0.68 -2.18 0.92 -0.25 -0.76 0.00 0.00 175.35 173.76 2diu n ASP 22 N 11.94 0.08 -0.25 2.83 8.00 -1.26 -4.55 116.55 133.34 2diu n ASP 22 Ca 0.30 0.96 0.04 0.00 0.71 0.00 0.00 54.79 56.80 2diu n ASP 22 Cb 0.45 -0.76 0.13 0.00 -0.02 0.00 0.00 41.12 40.93 2diu n ASP 22 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2diu h GLY 23 N 2.63 0.74 -0.96 0.44 0.00 -1.88 -0.79 103.07 103.24 2diu h GLY 23 Ca -0.42 0.15 0.16 0.00 0.00 0.00 0.00 47.33 47.23 2diu h GLY 23 CO 0.56 -0.29 -0.33 1.17 0.00 0.00 0.00 176.54 177.65 2diu n LYS 24 N -5.39 -0.18 -0.13 4.80 3.00 -1.26 0.55 118.16 119.56 2diu n LYS 24 Ca 0.12 1.49 -0.12 0.00 -0.00 0.00 0.00 58.31 59.80 2diu n LYS 24 Cb 0.44 -2.21 -0.01 0.00 0.00 0.00 0.00 35.03 33.25 2diu n LYS 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2diu h SER 25 N 0.00 1.00 0.12 3.14 4.64 -1.49 -3.25 113.55 117.71 2diu h SER 25 Ca 0.38 -0.43 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2diu h SER 25 Cb 0.62 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2diu h SER 25 CO -0.97 1.23 -0.12 0.58 -0.87 0.00 0.00 176.83 176.69 2diu h VAL 26 N 0.78 0.00 -0.16 0.95 2.07 0.82 -2.87 116.25 117.84 2diu h VAL 26 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 2diu h VAL 26 Cb 0.93 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2diu h VAL 26 CO 0.09 0.00 -0.09 -1.54 0.02 0.00 0.00 177.57 176.04 2diu n SER 27 N -3.01 -0.17 -0.28 0.57 3.41 0.23 -0.77 113.62 113.60 2diu n SER 27 Ca -0.03 0.93 -0.07 0.00 -0.26 0.00 0.00 58.87 59.44 2diu n SER 27 Cb 0.11 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 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 -3.24 -0.71 -0.30 4.04 2.85 -1.22 0.13 115.26 116.82 2diu n ASN 28 Ca 0.00 1.24 0.09 0.00 -0.11 0.00 0.00 54.58 55.81 2diu n ASN 28 Cb 0.04 -0.18 0.22 0.00 1.24 0.00 0.00 39.78 41.10 2diu n ASN 28 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 2diu h ARG 29 N 0.00 0.06 0.04 1.20 9.65 -0.71 -0.06 114.38 124.56 2diu h ARG 29 Ca 0.11 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2diu h ARG 29 Cb 0.27 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2diu h ARG 29 CO -0.63 0.04 -0.02 -0.07 2.80 0.00 0.00 179.97 182.10 2diu h LEU 30 N 0.06 -0.04 -0.76 3.80 4.07 0.16 -3.23 115.31 119.36 2diu h LEU 30 Ca 0.50 -0.42 0.15 0.00 0.08 0.00 0.00 57.88 58.19 2diu h LEU 30 Cb 0.95 0.01 -0.14 0.00 1.08 0.00 0.00 40.66 42.56 2diu h LEU 30 CO -0.80 0.40 -0.20 0.54 -1.08 0.00 0.00 178.44 177.30 2diu n ARG 31 N -4.90 -0.08 -0.04 1.13 1.74 0.72 0.13 116.66 115.36 2diu n ARG 31 Ca -0.08 1.19 -0.09 0.00 -0.77 0.00 0.00 57.85 58.10 2diu n ARG 31 Cb 0.23 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 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 0.03 -0.02 5.56 2.47 -1.49 0.35 114.38 121.28 2diu h ARG 32 Ca 0.35 -0.00 0.01 0.00 -1.26 0.00 0.00 59.98 59.08 2diu h ARG 32 Cb 0.55 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2diu h ARG 32 CO -0.78 0.02 0.03 -0.07 0.56 0.00 0.00 179.97 179.73 2diu h LEU 33 N 0.03 0.00 0.14 3.04 3.38 0.11 -0.27 115.31 121.74 2diu h LEU 33 Ca 0.09 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.73 2diu h LEU 33 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2diu h LEU 33 CO -0.18 0.00 -1.76 0.77 0.09 0.00 0.00 178.44 177.37 2diu h SER 34 N 0.00 0.45 0.17 -0.43 4.64 0.39 -3.08 113.55 115.69 2diu h SER 34 Ca 0.01 -0.90 -0.07 0.00 -0.47 0.00 0.00 61.79 60.36 2diu h SER 34 Cb 0.08 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2diu h SER 34 CO -0.00 1.77 -0.26 -0.78 -0.87 0.00 0.00 176.83 176.69 2diu h ASP 35 N -0.06 0.15 1.50 4.97 3.58 0.31 1.97 116.42 128.84 2diu h ASP 35 Ca -0.37 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 56.95 2diu h ASP 35 Cb 1.96 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.96 2diu h ASP 35 CO 0.09 0.41 -0.51 0.78 -2.88 0.00 0.00 179.24 177.14 2diu h ASN 36 N 0.14 0.00 -0.42 2.28 4.21 -1.21 -3.23 115.58 117.35 2diu h ASN 36 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2diu h ASN 36 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 2diu h ASN 36 CO 0.04 0.40 0.00 0.00 -1.29 0.00 0.00 177.43 176.57 2diu n GLY 38 N 0.33 -0.98 3.77 0.00 0.00 0.44 -4.54 105.19 104.22 2diu n GLY 38 Ca 0.20 0.35 -0.09 0.00 0.00 0.00 0.00 46.02 46.48 2diu n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2diu s GLY 39 N -2.91 0.43 -0.20 -0.02 0.00 0.64 -4.22 107.32 101.05 2diu s GLY 39 Ca 0.08 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.98 2diu s GLY 39 CO 0.59 -0.36 0.35 1.25 0.00 0.00 0.00 173.10 174.93 2diu s LYS 40 N -2.70 0.28 -0.64 2.90 2.20 -1.03 -3.60 119.74 117.15 2diu s LYS 40 Ca 0.17 0.75 -0.26 0.00 -0.36 0.00 0.00 55.97 56.26 2diu s LYS 40 Cb -0.05 -0.13 -0.12 0.00 -1.51 0.00 0.00 37.83 36.03 2diu s LYS 40 CO 0.12 -0.42 2.44 1.55 -0.36 0.00 0.00 175.35 178.68 2diu n VAL 41 N 5.37 -0.05 0.10 4.02 3.14 -1.26 -1.87 118.33 127.77 2diu n VAL 41 Ca -0.06 -0.63 -0.12 0.00 -2.96 0.00 0.00 64.34 60.57 2diu n VAL 41 Cb 0.50 -2.22 -0.05 0.00 -1.06 0.00 0.00 33.84 31.00 2diu n VAL 41 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2diu h LEU 42 N 19.06 -0.84 -8.10 6.55 3.38 -0.72 -3.47 115.31 131.17 2diu h LEU 42 Ca -0.15 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2diu h LEU 42 Cb 1.21 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 2diu h LEU 42 CO 1.17 -0.37 0.15 -0.44 0.09 0.00 0.00 178.44 179.04 2diu s SER 43 N -4.82 0.07 -0.20 -0.43 0.01 -0.99 -5.03 113.70 102.31 2diu s SER 43 Ca -0.16 -1.05 -0.04 0.00 1.31 0.00 0.00 55.95 56.01 2diu s SER 43 Cb 0.08 0.77 0.08 0.00 0.21 0.00 0.00 66.02 67.16 2diu s SER 43 CO 0.65 -1.50 0.16 -0.63 0.41 0.00 0.00 173.24 172.34 2diu s ILE 44 N -2.98 -0.21 -0.10 1.44 1.01 -1.26 -1.75 121.20 117.36 2diu s ILE 44 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.62 2diu s ILE 44 Cb -0.04 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2diu s ILE 44 CO 0.11 -0.29 -0.09 0.42 0.00 0.00 0.00 174.94 175.10 2diu s THR 45 N 2.23 3.50 0.00 2.92 -4.23 -0.68 -4.98 115.64 114.41 2diu s THR 45 Ca 0.05 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2diu s THR 45 Cb -0.16 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2diu s THR 45 CO -0.14 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 2diu n GLY 46 N 2.79 2.51 1.34 3.99 0.00 -1.26 0.10 105.19 114.66 2diu n GLY 46 Ca -0.18 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.50 2.60 0.12 0.00 1.04 0.12 -1.34 113.70 115.74 2diu s SER 48 Ca 0.33 -1.40 -0.15 0.00 0.48 0.00 0.00 55.95 55.22 2diu s SER 48 Cb 0.25 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.32 2diu s SER 48 CO 0.10 -0.61 0.38 0.00 0.98 0.00 0.00 173.24 174.09 2diu s ALA 49 N -3.22 -0.84 -0.09 5.32 0.00 -0.13 -1.68 121.76 121.12 2diu s ALA 49 Ca 0.35 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 2diu s ALA 49 Cb 0.09 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.90 2diu s ALA 49 CO 0.16 -0.63 -0.06 0.42 0.00 0.00 0.00 175.76 175.65 2diu s ILE 50 N -3.81 0.80 0.44 0.00 1.01 -0.72 -0.29 121.20 118.63 2diu s ILE 50 Ca 0.03 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.58 2diu s ILE 50 Cb 0.02 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 2diu s ILE 50 CO -0.12 0.32 0.38 -0.76 0.00 0.00 0.00 174.94 174.76 2diu s LEU 51 N 1.54 3.28 -0.16 2.97 1.02 -0.51 -0.01 118.68 126.81 2diu s LEU 51 Ca 0.00 -0.84 -0.02 0.00 0.02 0.00 0.00 54.13 53.30 2diu s LEU 51 Cb -0.13 -1.89 0.05 0.00 0.02 0.00 0.00 46.19 44.24 2diu s LEU 51 CO -0.05 -0.72 -0.00 -0.60 0.02 0.00 0.00 176.35 175.00 2diu s ARG 52 N -4.14 0.92 0.07 1.70 6.06 -0.78 -2.27 118.95 120.51 2diu s ARG 52 Ca 0.46 -0.38 0.05 0.00 -2.50 0.00 0.00 55.73 53.36 2diu s ARG 52 Cb -0.02 -1.89 -0.04 0.00 0.06 0.00 0.00 34.95 33.05 2diu s ARG 52 CO 0.27 -0.52 -0.03 -0.06 -2.50 0.00 0.00 175.30 172.46 2diu s PHE 53 N 1.79 2.93 0.25 5.12 0.40 0.61 -2.46 117.98 126.61 2diu s PHE 53 Ca 0.00 -0.05 -0.05 0.00 -0.60 0.00 0.00 56.93 56.24 2diu s PHE 53 Cb -0.16 -1.53 0.28 0.00 0.51 0.00 0.00 43.02 42.12 2diu s PHE 53 CO -0.07 0.45 1.83 0.97 0.70 0.00 0.00 175.22 179.10 2diu h ILE 54 N 3.13 1.24 -3.58 0.64 2.10 -1.83 0.15 117.51 119.36 2diu h ILE 54 Ca -0.48 -0.74 -0.06 0.00 1.08 0.00 0.00 64.86 64.65 2diu h ILE 54 Cb 1.17 0.34 -0.12 0.00 -1.09 0.00 0.00 36.82 37.11 2diu h ILE 54 CO 0.57 0.31 -0.17 0.54 -1.08 0.00 0.00 178.15 178.32 2diu s ASN 55 N -6.40 -0.10 0.10 2.19 2.20 -1.26 -4.11 114.94 107.56 2diu s ASN 55 Ca -0.12 -0.57 -0.28 0.00 -0.94 0.00 0.00 52.86 50.95 2diu s ASN 55 Cb 0.16 0.47 -0.10 0.00 -2.00 0.00 0.00 41.25 39.78 2diu s ASN 55 CO 0.82 -0.90 1.46 -0.61 -2.94 0.00 0.00 177.10 174.94 2diu h GLN 56 N 2.44 -0.40 -0.73 3.55 4.15 -1.88 -1.47 115.11 120.76 2diu h GLN 56 Ca -0.32 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.20 2diu h GLN 56 Cb 1.24 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.93 2diu h GLN 56 CO 0.46 -0.26 -0.42 -3.47 -1.93 0.00 0.00 178.83 173.20 2diu n ASP 57 N -4.97 -0.76 -0.22 -0.69 2.03 -1.26 0.23 116.55 110.91 2diu n ASP 57 Ca -0.04 1.30 0.07 0.00 0.52 0.00 0.00 54.79 56.64 2diu n ASP 57 Cb 0.30 -0.18 0.33 0.00 -0.72 0.00 0.00 41.12 40.86 2diu n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2diu h SER 58 N 0.00 0.71 0.84 1.67 0.02 -1.69 0.20 113.55 115.31 2diu h SER 58 Ca 0.13 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 2diu h SER 58 Cb 0.31 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2diu h SER 58 CO -0.69 0.45 -0.38 0.00 -1.14 0.00 0.00 176.83 175.06 2diu h ALA 59 N 1.58 1.00 0.24 3.77 0.00 0.40 -3.29 119.26 122.95 2diu h ALA 59 Ca 0.35 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2diu h ALA 59 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2diu h ALA 59 CO -0.13 0.48 -0.11 0.93 0.00 0.00 0.00 179.25 180.41 2diu h GLU 60 N 0.00 -0.31 -1.44 0.00 5.08 0.23 -0.71 114.58 117.43 2diu h GLU 60 Ca -0.00 0.02 0.42 0.00 -1.00 0.00 0.00 59.36 58.79 2diu h GLU 60 Cb 0.90 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 2diu h GLU 60 CO 0.05 -0.20 1.25 0.54 -1.00 0.00 0.00 179.01 179.64 2diu n ARG 61 N -3.60 0.01 -0.00 2.33 1.74 -0.91 0.17 116.66 116.39 2diu n ARG 61 Ca -0.04 0.99 -0.22 0.00 -0.77 0.00 0.00 57.85 57.81 2diu n ARG 61 Cb 0.13 -2.36 -0.14 0.00 -1.02 0.00 0.00 32.46 29.07 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 0.72 0.32 0.00 7.54 0.00 -1.61 -3.09 119.26 123.13 2diu h ALA 62 Ca 0.68 -1.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 2diu h ALA 62 Cb 3.17 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 21.60 2diu h ALA 62 CO -0.01 1.08 -0.22 0.37 0.00 0.00 0.00 179.25 180.47 2diu h GLN 63 N -0.18 0.00 0.00 0.00 -0.00 0.34 0.29 115.11 115.55 2diu h GLN 63 Ca -0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.22 2diu h GLN 63 Cb 1.87 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.34 2diu h GLN 63 CO 0.04 0.22 -0.64 1.57 0.00 0.00 0.00 178.83 180.03 2diu h LYS 64 N 0.00 0.00 0.00 1.69 5.09 -0.75 -3.22 116.57 119.37 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 0.40 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.73 2diu h LYS 64 CO 0.03 0.17 -0.27 -2.13 -2.09 0.00 0.00 179.45 175.17 2diu n ARG 65 N -2.98 0.24 -0.28 0.07 3.00 -0.79 -4.37 116.66 111.55 2diu n ARG 65 Ca 0.00 0.40 0.06 0.00 -0.00 0.00 0.00 57.85 58.31 2diu n ARG 65 Cb 0.64 -1.26 0.16 0.00 0.00 0.00 0.00 32.46 32.01 2diu n ARG 65 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 2diu h MET 66 N -0.53 0.05 -1.58 -0.14 2.86 -0.66 0.48 114.93 115.41 2diu h MET 66 Ca 0.00 -0.00 0.50 0.00 -2.06 0.00 0.00 59.70 58.14 2diu h MET 66 Cb 0.27 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.80 2diu h MET 66 CO 0.00 0.04 1.07 1.05 1.06 0.00 0.00 176.91 180.13 2diu h GLU 67 N 0.06 0.01 0.00 1.72 4.11 -1.72 1.57 114.58 120.33 2diu h GLU 67 Ca 0.44 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 2diu h GLU 67 Cb 0.77 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2diu h GLU 67 CO -0.76 0.01 -1.88 0.09 0.07 0.00 0.00 179.01 176.54 2diu n ASN 68 N -4.45 0.32 -4.77 3.06 4.13 0.15 -4.42 115.26 109.28 2diu n ASN 68 Ca 0.41 -0.07 -0.39 0.00 1.68 0.00 0.00 54.58 56.22 2diu n ASN 68 Cb 1.70 1.88 -0.01 0.00 -1.54 0.00 0.00 39.78 41.82 2diu n ASN 68 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2diu s GLU 69 N -3.40 3.94 -0.50 3.52 -6.30 0.54 -4.88 118.70 111.62 2diu s GLU 69 Ca -0.07 2.02 -0.02 0.00 -2.50 0.00 0.00 54.97 54.40 2diu s GLU 69 Cb 0.13 -2.68 0.13 0.00 0.00 0.00 0.00 34.13 31.72 2diu s GLU 69 CO 0.86 -0.47 0.29 -0.51 0.02 0.00 0.00 175.26 175.46 2diu s ASP 70 N -0.94 5.12 0.26 -1.70 1.11 -1.26 -2.95 116.67 116.32 2diu s ASP 70 Ca 0.58 -2.47 -0.08 0.00 0.18 0.00 0.00 52.55 50.76 2diu s ASP 70 Cb -0.35 -1.81 0.44 0.00 1.07 0.00 0.00 42.92 42.27 2diu s ASP 70 CO 0.44 -0.43 1.59 0.58 1.18 0.00 0.00 175.17 178.53 2diu h VAL 71 N 5.86 0.15 -0.98 -1.27 2.07 -1.90 -3.40 116.25 116.78 2diu h VAL 71 Ca -0.07 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.56 2diu h VAL 71 Cb 0.99 0.13 -0.21 0.00 -1.52 0.00 0.00 31.29 30.68 2diu h VAL 71 CO 0.69 0.00 -0.18 -0.36 0.02 0.00 0.00 177.57 177.75 2diu s PHE 72 N -6.20 -1.38 0.00 1.57 0.08 -1.26 -4.93 117.98 105.86 2diu s PHE 72 Ca -0.14 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.48 2diu s PHE 72 Cb 0.25 0.52 0.00 0.00 -0.57 0.00 0.00 43.02 43.22 2diu s PHE 72 CO 0.76 -0.75 0.00 0.41 -0.10 0.00 0.00 175.22 175.54 2diu n GLY 73 N 5.43 -0.39 3.50 4.36 0.00 -1.26 -4.79 105.19 112.04 2diu n GLY 73 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.59 -0.62 -0.03 1.61 2.47 -1.26 -5.14 114.94 110.38 2diu s ASN 74 Ca 0.00 0.68 -0.13 0.00 0.42 0.00 0.00 52.86 53.83 2diu s ASN 74 Cb 0.00 0.54 -0.05 0.00 -1.45 0.00 0.00 41.25 40.29 2diu s ASN 74 CO 0.00 -0.59 0.35 -0.60 -3.72 0.00 0.00 177.10 172.54 2diu s ARG 75 N -1.16 3.82 0.20 0.43 3.00 -1.26 -2.92 118.95 121.05 2diu s ARG 75 Ca -0.11 0.29 0.06 0.00 -1.00 0.00 0.00 55.73 54.97 2diu s ARG 75 Cb -0.01 -3.22 -0.04 0.00 0.00 0.00 0.00 34.95 31.69 2diu s ARG 75 CO 0.09 0.70 0.15 0.96 0.00 0.00 0.00 175.30 177.20 2diu s ILE 76 N -1.04 4.42 -0.15 4.11 -4.36 -1.15 -4.76 121.20 118.27 2diu s ILE 76 Ca 0.22 -1.22 0.01 0.00 -0.26 0.00 0.00 60.65 59.39 2diu s ILE 76 Cb -0.16 -3.30 0.00 0.00 1.25 0.00 0.00 42.46 40.26 2diu s ILE 76 CO 0.11 -0.20 -0.17 -0.63 0.24 0.00 0.00 174.94 174.30 2diu s ILE 77 N -1.89 2.52 -0.17 8.37 1.01 -0.45 -4.19 121.20 126.40 2diu s ILE 77 Ca 0.31 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 2diu s ILE 77 Cb -0.09 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 2diu s ILE 77 CO 0.24 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.97 2diu s VAL 78 N 0.85 3.70 0.03 2.92 1.01 -1.26 0.62 120.40 128.27 2diu s VAL 78 Ca -0.05 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.53 2diu s VAL 78 Cb -0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2diu s VAL 78 CO -0.01 0.47 -0.06 -0.55 0.00 0.00 0.00 175.10 174.94 2diu s SER 79 N 0.72 0.66 0.31 3.32 0.15 0.75 -4.91 113.70 114.71 2diu s SER 79 Ca -0.02 -0.53 0.18 0.00 0.70 0.00 0.00 55.95 56.29 2diu s SER 79 Cb -0.15 0.05 0.13 0.00 -1.71 0.00 0.00 66.02 64.35 2diu s SER 79 CO 0.02 -0.23 1.41 -0.26 1.20 0.00 0.00 173.24 175.38 2diu h PHE 80 N 4.56 0.00 -2.43 3.44 -1.00 -1.87 0.61 116.94 120.24 2diu h PHE 80 Ca -0.35 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 59.86 2diu h PHE 80 Cb 1.20 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.66 2diu h PHE 80 CO 0.65 0.30 -0.66 0.95 -1.61 0.00 0.00 178.31 177.94 2diu s THR 81 N -3.08 3.47 0.38 -1.55 -4.23 -1.26 -4.78 115.64 104.60 2diu s THR 81 Ca 0.04 -1.79 -0.26 0.00 -1.18 0.00 0.00 61.69 58.50 2diu s THR 81 Cb 0.07 -2.82 -0.09 0.00 1.34 0.00 0.00 72.50 71.00 2diu s THR 81 CO 0.73 -0.29 1.20 -2.16 -0.54 0.00 0.00 174.62 173.55 2diu s PRO 82 N -3.43 4.15 -0.66 3.99 0.04 -1.26 -4.89 135.00 132.93 2diu s PRO 82 Ca 0.30 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 63.25 2diu s PRO 82 Cb -0.07 -2.79 0.43 0.00 0.04 0.00 0.00 34.50 32.11 2diu s PRO 82 CO 0.19 -0.27 1.93 1.63 0.04 0.00 0.00 177.00 180.53 2diu n LYS 83 N 0.30 2.81 -0.21 4.56 5.02 -1.26 -4.66 118.16 124.71 2diu n LYS 83 Ca 0.03 -3.45 -0.07 0.00 -2.02 0.00 0.00 58.31 52.80 2diu n LYS 83 Cb 0.45 -2.28 0.03 0.00 -0.02 0.00 0.00 35.03 33.21 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 2.22 0.77 -4.16 4.39 -0.73 -2.07 -3.43 115.58 112.57 2diu h ASN 84 Ca 0.57 -0.11 -0.46 0.00 1.87 0.00 0.00 56.30 58.18 2diu h ASN 84 Cb 0.73 -0.20 -0.29 0.00 0.27 0.00 0.00 38.32 38.84 2diu h ASN 84 CO 1.47 0.65 -0.80 -0.13 -0.37 0.00 0.00 177.43 178.25 2diu s ARG 85 N -5.80 1.01 0.01 6.67 0.52 -1.26 -5.15 118.95 114.96 2diu s ARG 85 Ca -0.13 -0.45 0.04 0.00 -0.52 0.00 0.00 55.73 54.66 2diu s ARG 85 Cb 0.13 -0.98 -0.01 0.00 0.52 0.00 0.00 34.95 34.61 2diu s ARG 85 CO 0.78 0.27 -0.12 -2.00 0.02 0.00 0.00 175.30 174.25 2diu s GLU 86 N -0.31 0.87 0.24 3.54 2.12 -1.26 -5.13 118.70 118.75 2diu s GLU 86 Ca 0.05 -0.56 -0.08 0.00 0.36 0.00 0.00 54.97 54.74 2diu s GLU 86 Cb -0.05 -0.84 -0.02 0.00 0.26 0.00 0.00 34.13 33.48 2diu s GLU 86 CO -0.00 0.22 0.35 -0.51 -0.54 0.00 0.00 175.26 174.78 2diu s LEU 87 N -0.70 0.65 -0.10 2.70 1.43 -1.26 -5.18 118.68 116.22 2diu s LEU 87 Ca 0.02 -1.12 -0.17 0.00 -1.03 0.00 0.00 54.13 51.82 2diu s LEU 87 Cb -0.06 1.26 0.04 0.00 0.03 0.00 0.00 46.19 47.46 2diu s LEU 87 CO 0.00 -1.04 0.43 0.00 0.23 0.00 0.00 176.35 175.97 2diu n GLU 89 N 2.07 0.00 -3.83 0.00 2.13 -1.26 -5.00 120.64 114.76 2diu n GLU 89 Ca -0.17 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.30 2diu n GLU 89 Cb 0.57 -0.43 -0.12 0.00 0.27 0.00 0.00 31.44 31.72 2diu n GLU 89 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2diu s THR 90 N -1.95 3.14 0.05 6.31 2.01 -1.26 -5.01 115.64 118.94 2diu s THR 90 Ca 0.00 -1.91 -0.10 0.00 0.31 0.00 0.00 61.69 59.99 2diu s THR 90 Cb 0.00 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 2diu s THR 90 CO 0.00 -0.54 1.15 -0.24 -0.69 0.00 0.00 174.62 174.30 2diu n SER 91 N 4.57 -0.34 -0.17 3.53 2.88 -1.26 -4.94 113.62 117.89 2diu n SER 91 Ca -0.04 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 2diu n SER 91 Cb 0.42 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 2diu n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2diu n GLY 92 N -1.08 -0.07 3.74 0.46 0.00 -1.26 -5.05 105.19 101.93 2diu n GLY 92 Ca 0.01 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.43 4.40 0.08 1.61 0.04 -1.26 -4.92 135.00 134.52 2diu s PRO 93 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2diu s PRO 93 Cb 0.00 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2diu s PRO 93 CO 0.00 -0.23 0.00 -1.13 0.04 0.00 0.00 177.00 175.68 2diu n SER 94 N 2.50 0.36 0.09 6.66 3.41 -1.26 -4.88 113.62 120.50 2diu n SER 94 Ca 0.06 0.13 -0.15 0.00 -0.26 0.00 0.00 58.87 58.64 2diu n SER 94 Cb 0.43 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.23 2diu n SER 94 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2diu h SER 95 N 0.00 -1.54 0.00 4.04 0.87 -2.06 -3.58 113.55 111.28 2diu h SER 95 Ca 0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2diu h SER 95 Cb 0.34 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2diu h SER 95 CO 0.00 -0.52 0.00 0.61 -0.53 0.00 0.00 176.83 176.39