#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 3.50 -0.31 1.61 1.04 -1.26 -5.03 113.70 113.25 2diu s SER 2 Ca 0.00 0.12 0.11 0.00 0.48 0.00 0.00 55.95 56.66 2diu s SER 2 Cb 0.00 -0.27 0.46 0.00 0.10 0.00 0.00 66.02 66.31 2diu s SER 2 CO 0.00 -2.47 1.15 -1.54 0.98 0.00 0.00 173.24 171.36 2diu n SER 3 N -3.50 3.96 0.00 7.02 3.41 -1.26 -5.01 113.62 118.24 2diu n SER 3 Ca 0.15 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 2diu n SER 3 Cb 0.60 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.61 3.40 2.83 5.00 0.00 -1.26 -5.13 105.19 109.42 2diu n GLY 4 Ca 0.33 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 3.01 -0.04 1.61 0.15 -1.26 -5.01 113.70 112.16 2diu s SER 5 Ca 0.00 -0.80 -0.24 0.00 0.70 0.00 0.00 55.95 55.61 2diu s SER 5 Cb 0.00 -0.82 -0.22 0.00 -1.71 0.00 0.00 66.02 63.26 2diu s SER 5 CO 0.00 -0.24 1.07 0.77 1.20 0.00 0.00 173.24 176.04 2diu h SER 6 N 8.14 0.22 -0.47 5.45 4.64 -2.05 -3.45 113.55 126.03 2diu h SER 6 Ca -0.19 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 2diu h SER 6 Cb 1.11 -0.07 -0.17 0.00 -0.31 0.00 0.00 62.40 62.96 2diu h SER 6 CO 0.37 0.92 -0.24 -0.83 -0.87 0.00 0.00 176.83 176.18 2diu s GLY 7 N -3.82 -1.59 0.40 -0.77 0.00 -1.26 -5.17 107.32 95.11 2diu s GLY 7 Ca -0.16 0.54 0.07 0.00 0.00 0.00 0.00 44.72 45.17 2diu s GLY 7 CO 0.74 4.09 0.01 0.00 0.00 0.00 0.00 173.10 177.94 2diu s HIS 9 N -2.74 3.36 -0.22 0.00 0.09 -1.25 -4.49 115.29 110.04 2diu s HIS 9 Ca 0.35 0.89 0.00 0.00 -0.00 0.00 0.00 55.06 56.30 2diu s HIS 9 Cb 0.09 -2.80 0.06 0.00 -0.00 0.00 0.00 32.58 29.93 2diu s HIS 9 CO 0.18 -0.87 -0.04 0.99 -0.00 0.00 0.00 174.74 175.00 2diu s THR 10 N -3.11 1.36 0.13 1.30 2.01 0.36 -4.87 115.64 112.81 2diu s THR 10 Ca 0.55 -1.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.34 2diu s THR 10 Cb -0.11 -1.65 -0.07 0.00 0.01 0.00 0.00 72.50 70.69 2diu s THR 10 CO 0.49 -0.09 0.52 -0.76 -0.69 0.00 0.00 174.62 174.09 2diu s LEU 11 N 1.48 4.34 0.14 4.42 1.43 -1.26 -0.77 118.68 128.46 2diu s LEU 11 Ca -0.04 1.02 0.07 0.00 -1.03 0.00 0.00 54.13 54.14 2diu s LEU 11 Cb -0.18 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 2diu s LEU 11 CO -0.07 0.12 -0.02 -0.76 0.23 0.00 0.00 176.35 175.85 2diu s LEU 12 N -1.94 3.27 -0.26 1.79 1.43 -0.91 -4.80 118.68 117.26 2diu s LEU 12 Ca 0.37 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2diu s LEU 12 Cb -0.15 -1.97 0.07 0.00 0.03 0.00 0.00 46.19 44.17 2diu s LEU 12 CO 0.19 0.12 -0.07 -0.31 0.23 0.00 0.00 176.35 176.51 2diu s TYR 13 N -1.54 3.08 0.15 0.29 2.02 0.04 -2.17 117.35 119.22 2diu s TYR 13 Ca 0.26 -2.25 -0.09 0.00 -0.37 0.00 0.00 57.07 54.62 2diu s TYR 13 Cb -0.10 -1.95 -0.06 0.00 -0.40 0.00 0.00 41.96 39.45 2diu s TYR 13 CO 0.17 -0.86 0.46 0.08 -1.57 0.00 0.00 175.55 173.83 2diu s VAL 14 N 1.16 5.03 0.21 0.71 1.01 -0.04 -0.62 120.40 127.86 2diu s VAL 14 Ca -0.06 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 2diu s VAL 14 Cb -0.20 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2diu s VAL 14 CO -0.06 0.11 0.16 -0.31 0.00 0.00 0.00 175.10 175.00 2diu s TYR 15 N -1.60 1.16 -1.07 5.22 1.51 0.29 -1.71 117.35 121.16 2diu s TYR 15 Ca 0.40 -1.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.08 2diu s TYR 15 Cb -0.13 -0.53 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 2diu s TYR 15 CO 0.21 -0.68 0.90 0.09 -1.11 0.00 0.00 175.55 174.95 2diu n ASN 16 N -0.38 -2.80 -4.89 2.29 4.13 -1.09 -1.38 115.26 111.14 2diu n ASN 16 Ca 0.02 -0.58 -0.32 0.00 1.68 0.00 0.00 54.58 55.39 2diu n ASN 16 Cb 0.65 -4.72 -0.05 0.00 -1.54 0.00 0.00 39.78 34.12 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2diu s LEU 17 N -5.82 4.23 -0.96 3.41 1.43 -0.63 -4.47 118.68 115.87 2diu s LEU 17 Ca 0.08 0.71 -0.24 0.00 -1.03 0.00 0.00 54.13 53.65 2diu s LEU 17 Cb -0.01 -3.45 -0.06 0.00 0.03 0.00 0.00 46.19 42.70 2diu s LEU 17 CO 0.67 0.00 1.94 -2.16 0.23 0.00 0.00 176.35 177.03 2diu s PRO 18 N -2.72 2.54 0.28 1.29 0.04 -1.26 -4.80 135.00 130.36 2diu s PRO 18 Ca 0.43 -0.47 0.01 0.00 0.04 0.00 0.00 61.00 61.01 2diu s PRO 18 Cb -0.12 -5.10 0.55 0.00 0.04 0.00 0.00 34.50 29.87 2diu s PRO 18 CO 0.23 -3.50 1.82 0.00 0.04 0.00 0.00 177.00 175.59 2diu h ALA 19 N 10.97 1.47 -0.70 8.56 0.00 -1.94 -1.35 119.26 136.26 2diu h ALA 19 Ca 0.12 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.17 2diu h ALA 19 Cb 0.99 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 2diu h ALA 19 CO 1.21 0.16 0.31 -0.91 0.00 0.00 0.00 179.25 180.03 2diu h ASN 20 N 0.92 0.36 -2.57 0.00 2.35 -2.02 -3.40 115.58 111.22 2diu h ASN 20 Ca 0.49 0.08 -0.55 0.00 -0.55 0.00 0.00 56.30 55.77 2diu h ASN 20 Cb 0.52 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 2diu h ASN 20 CO -0.28 0.19 1.15 -0.54 -1.65 0.00 0.00 177.43 176.29 2diu s LYS 21 N -6.05 3.99 -0.33 0.81 -0.14 -0.51 -4.87 119.74 112.64 2diu s LYS 21 Ca -0.13 2.09 -0.43 0.00 -1.36 0.00 0.00 55.97 56.14 2diu s LYS 21 Cb 0.19 -4.05 -0.19 0.00 -1.68 0.00 0.00 37.83 32.10 2diu s LYS 21 CO 0.76 -1.08 1.55 -0.40 -0.76 0.00 0.00 175.35 175.43 2diu n ASP 22 N 7.88 1.42 -0.34 2.83 5.75 -1.26 -4.57 116.55 128.26 2diu n ASP 22 Ca 0.19 1.15 0.05 0.00 -0.01 0.00 0.00 54.79 56.16 2diu n ASP 22 Cb 0.43 -0.98 0.11 0.00 -1.03 0.00 0.00 41.12 39.66 2diu n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2diu n GLY 23 N 3.62 -1.62 0.32 6.12 0.00 -1.26 0.36 105.19 112.73 2diu n GLY 23 Ca 0.27 1.00 0.06 0.00 0.00 0.00 0.00 46.02 47.36 2diu n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2diu h LYS 24 N 0.00 0.02 0.35 1.61 1.57 -2.01 -0.33 116.57 117.78 2diu h LYS 24 Ca 0.43 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.19 2diu h LYS 24 Cb 0.66 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2diu h LYS 24 CO -0.95 0.02 -0.17 0.77 -0.57 0.00 0.00 179.45 178.55 2diu h SER 25 N 0.03 -0.39 -0.32 0.86 0.02 -0.41 -3.27 113.55 110.06 2diu h SER 25 Ca 0.46 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2diu h SER 25 Cb 0.79 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 2diu h SER 25 CO -0.85 0.01 -0.24 0.58 -1.14 0.00 0.00 176.83 175.18 2diu h VAL 26 N -0.87 0.00 -0.35 2.27 2.07 -0.52 -2.13 116.25 116.73 2diu h VAL 26 Ca -0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2diu h VAL 26 Cb 0.53 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2diu h VAL 26 CO 0.08 0.00 -0.20 -1.20 0.02 0.00 0.00 177.57 176.26 2diu n SER 27 N -3.89 -0.37 -0.35 0.57 7.64 -0.26 -0.00 113.62 116.96 2diu n SER 27 Ca -0.00 0.97 -0.07 0.00 1.01 0.00 0.00 58.87 60.78 2diu n SER 27 Cb 0.12 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.02 2diu n SER 27 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2diu n ASN 28 N -3.77 -0.80 -0.31 6.43 2.85 -0.82 0.14 115.26 118.97 2diu n ASN 28 Ca 0.01 1.53 0.15 0.00 -0.11 0.00 0.00 54.58 56.16 2diu n ASN 28 Cb 0.09 -0.25 0.34 0.00 1.24 0.00 0.00 39.78 41.20 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 0.39 -0.03 1.20 9.65 -0.22 0.33 114.38 125.70 2diu h ARG 29 Ca 0.19 -0.02 -0.19 0.00 -1.10 0.00 0.00 59.98 58.85 2diu h ARG 29 Cb 0.41 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2diu h ARG 29 CO -0.83 0.26 -0.82 -0.07 2.80 0.00 0.00 179.97 181.31 2diu h LEU 30 N 0.41 0.37 -0.77 3.80 4.07 0.18 -3.17 115.31 120.19 2diu h LEU 30 Ca 0.59 -0.28 0.07 0.00 0.08 0.00 0.00 57.88 58.35 2diu h LEU 30 Cb 1.16 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.73 2diu h LEU 30 CO -0.54 1.04 0.44 0.03 -1.08 0.00 0.00 178.44 178.34 2diu h ARG 31 N 0.18 0.76 -0.58 1.13 3.08 0.38 -0.60 114.38 118.73 2diu h ARG 31 Ca -0.04 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 2diu h ARG 31 Cb 1.42 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 2diu h ARG 31 CO 0.13 0.50 -0.04 0.00 -1.07 0.00 0.00 179.97 179.50 2diu h ARG 32 N 0.78 1.05 0.00 0.04 2.47 -1.38 0.13 114.38 117.48 2diu h ARG 32 Ca 0.36 -0.35 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 2diu h ARG 32 Cb 0.26 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 2diu h ARG 32 CO -0.21 1.05 -0.12 -0.07 0.56 0.00 0.00 179.97 181.17 2diu h LEU 33 N 0.95 0.00 0.00 3.04 3.38 -1.31 -2.69 115.31 118.68 2diu h LEU 33 Ca 0.16 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.88 2diu h LEU 33 Cb 0.60 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2diu h LEU 33 CO 0.04 0.12 -1.74 -0.24 0.09 0.00 0.00 178.44 176.71 2diu n SER 34 N -3.41 0.67 -0.16 -0.43 2.88 -0.32 -3.58 113.62 109.26 2diu n SER 34 Ca -0.01 0.31 -0.05 0.00 -1.33 0.00 0.00 58.87 57.78 2diu n SER 34 Cb 0.30 0.31 0.12 0.00 -0.75 0.00 0.00 64.21 64.19 2diu n SER 34 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2diu h ASP 35 N 0.00 0.88 1.72 -3.46 3.58 -0.43 0.79 116.42 119.49 2diu h ASP 35 Ca -0.28 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 56.93 2diu h ASP 35 Cb 1.85 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.66 2diu h ASP 35 CO 0.05 0.91 -0.21 -1.13 -2.88 0.00 0.00 179.24 175.99 2diu h ASN 36 N 0.87 0.00 -0.59 2.28 -0.73 -1.67 -3.12 115.58 112.62 2diu h ASN 36 Ca 0.17 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.34 2diu h ASN 36 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.02 2diu h ASN 36 CO 0.01 0.21 0.00 0.00 -0.37 0.00 0.00 177.43 177.28 2diu n GLY 38 N 0.93 -0.92 2.99 0.00 0.00 -0.72 -4.58 105.19 102.90 2diu n GLY 38 Ca 0.25 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.38 1.95 3.20 -0.02 0.00 0.27 -3.80 105.19 105.41 2diu n GLY 39 Ca -0.13 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.53 0.37 -0.89 1.61 2.20 -0.85 -3.92 119.74 115.72 2diu s LYS 40 Ca 0.22 0.45 -0.25 0.00 -0.36 0.00 0.00 55.97 56.04 2diu s LYS 40 Cb -0.02 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 2diu s LYS 40 CO 0.16 -0.05 1.52 0.54 -0.36 0.00 0.00 175.35 177.16 2diu s VAL 41 N 0.24 3.74 0.13 4.02 0.11 -1.26 -0.07 120.40 127.31 2diu s VAL 41 Ca -0.01 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 58.43 2diu s VAL 41 Cb -0.03 -4.76 -0.07 0.00 -1.53 0.00 0.00 36.38 30.00 2diu s VAL 41 CO -0.00 -1.67 1.58 -0.07 -3.33 0.00 0.00 175.10 171.61 2diu h LEU 42 N 13.99 -1.36 -8.07 2.54 3.38 -1.41 -3.46 115.31 120.92 2diu h LEU 42 Ca 0.02 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2diu h LEU 42 Cb 1.03 0.55 -0.07 0.00 0.09 0.00 0.00 40.66 42.26 2diu h LEU 42 CO 1.34 -0.44 0.07 -0.44 0.09 0.00 0.00 178.44 179.05 2diu s SER 43 N -4.86 -0.19 -0.24 -0.43 0.01 -1.11 -5.04 113.70 101.84 2diu s SER 43 Ca -0.16 -0.73 -0.03 0.00 1.31 0.00 0.00 55.95 56.35 2diu s SER 43 Cb 0.09 0.66 0.08 0.00 0.21 0.00 0.00 66.02 67.05 2diu s SER 43 CO 0.64 -1.23 0.07 -0.63 0.41 0.00 0.00 173.24 172.50 2diu s ILE 44 N -3.96 0.44 -0.11 1.44 1.01 -1.26 -1.58 121.20 117.19 2diu s ILE 44 Ca 0.16 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 2diu s ILE 44 Cb -0.03 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 2diu s ILE 44 CO 0.07 -0.43 0.04 0.42 0.00 0.00 0.00 174.94 175.04 2diu s THR 45 N 1.87 4.64 0.00 2.92 -4.23 -0.35 -4.97 115.64 115.52 2diu s THR 45 Ca 0.04 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2diu s THR 45 Cb -0.17 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2diu s THR 45 CO -0.18 0.59 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 2diu n GLY 46 N 2.35 2.12 0.98 3.99 0.00 -1.26 0.26 105.19 113.63 2diu n GLY 46 Ca -0.19 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.66 2.97 0.06 0.00 1.04 0.14 -1.60 113.70 115.64 2diu s SER 48 Ca 0.27 -1.16 -0.06 0.00 0.48 0.00 0.00 55.95 55.47 2diu s SER 48 Cb 0.18 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 2diu s SER 48 CO 0.12 -0.27 0.12 0.00 0.98 0.00 0.00 173.24 174.19 2diu s ALA 49 N -2.90 -0.06 -0.17 5.32 0.00 -0.69 -1.21 121.76 122.04 2diu s ALA 49 Ca 0.29 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.60 2diu s ALA 49 Cb 0.02 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.53 2diu s ALA 49 CO 0.12 -0.40 -0.06 0.42 0.00 0.00 0.00 175.76 175.84 2diu s ILE 50 N -3.28 1.18 0.39 0.00 1.01 -0.61 -0.86 121.20 119.02 2diu s ILE 50 Ca 0.01 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.05 2diu s ILE 50 Cb 0.03 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 2diu s ILE 50 CO -0.08 0.14 0.46 -0.76 0.00 0.00 0.00 174.94 174.70 2diu s LEU 51 N 1.60 3.66 -0.19 2.97 1.02 -0.92 -1.07 118.68 125.75 2diu s LEU 51 Ca 0.00 -0.45 -0.00 0.00 0.02 0.00 0.00 54.13 53.70 2diu s LEU 51 Cb -0.15 -2.47 0.05 0.00 0.02 0.00 0.00 46.19 43.63 2diu s LEU 51 CO -0.08 -0.60 -0.05 -0.60 0.02 0.00 0.00 176.35 175.05 2diu s ARG 52 N -4.20 1.42 -0.05 1.70 6.06 0.91 -2.13 118.95 122.64 2diu s ARG 52 Ca 0.49 -0.62 0.01 0.00 -2.50 0.00 0.00 55.73 53.11 2diu s ARG 52 Cb -0.08 -2.16 -0.03 0.00 0.06 0.00 0.00 34.95 32.74 2diu s ARG 52 CO 0.30 -0.49 -0.06 -0.06 -2.50 0.00 0.00 175.30 172.49 2diu s PHE 53 N 1.59 2.94 0.20 5.12 0.40 0.05 -2.01 117.98 126.27 2diu s PHE 53 Ca -0.01 0.02 -0.19 0.00 -0.60 0.00 0.00 56.93 56.15 2diu s PHE 53 Cb -0.16 -1.70 0.17 0.00 0.51 0.00 0.00 43.02 41.84 2diu s PHE 53 CO -0.07 0.35 1.58 0.97 0.70 0.00 0.00 175.22 178.74 2diu h ILE 54 N 4.14 0.13 -4.23 0.64 6.09 -1.84 0.10 117.51 122.54 2diu h ILE 54 Ca -0.49 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 62.80 2diu h ILE 54 Cb 1.17 0.13 -0.12 0.00 0.47 0.00 0.00 36.82 38.47 2diu h ILE 54 CO 0.53 0.00 -0.38 0.54 -3.07 0.00 0.00 178.15 175.77 2diu s ASN 55 N -5.22 0.29 0.05 2.19 2.20 -1.26 -3.87 114.94 109.31 2diu s ASN 55 Ca -0.14 -1.28 -0.11 0.00 -0.94 0.00 0.00 52.86 50.39 2diu s ASN 55 Cb 0.18 0.50 -0.03 0.00 -2.00 0.00 0.00 41.25 39.90 2diu s ASN 55 CO 0.70 -1.02 1.18 -0.61 -2.94 0.00 0.00 177.10 174.41 2diu h GLN 56 N 2.39 -0.08 -0.02 3.55 4.15 -1.85 -1.53 115.11 121.72 2diu h GLN 56 Ca -0.31 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.12 2diu h GLN 56 Cb 1.25 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 2diu h GLN 56 CO 0.44 -0.05 -0.01 -3.47 -1.93 0.00 0.00 178.83 173.80 2diu n ASP 57 N -3.66 -0.02 -0.36 -0.69 -0.08 -1.26 0.20 116.55 110.68 2diu n ASP 57 Ca -0.00 0.69 0.26 0.00 -1.51 0.00 0.00 54.79 54.23 2diu n ASP 57 Cb 0.10 -0.33 0.52 0.00 2.34 0.00 0.00 41.12 43.75 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 0.45 -0.38 1.67 0.02 -1.77 0.58 113.55 114.12 2diu h SER 58 Ca 0.00 0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 2diu h SER 58 Cb 0.01 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2diu h SER 58 CO -0.02 -0.10 -0.35 0.00 -1.14 0.00 0.00 176.83 175.22 2diu h ALA 59 N 1.75 0.56 0.14 3.77 0.00 0.32 -3.27 119.26 122.53 2diu h ALA 59 Ca 0.73 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2diu h ALA 59 Cb 1.83 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2diu h ALA 59 CO -0.50 0.64 -0.20 0.93 0.00 0.00 0.00 179.25 180.12 2diu h GLU 60 N 0.73 -0.35 -0.89 0.00 5.08 0.48 0.37 114.58 120.00 2diu h GLU 60 Ca 0.06 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 58.82 2diu h GLU 60 Cb 0.94 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 30.11 2diu h GLU 60 CO 0.09 -0.23 0.47 0.54 -1.00 0.00 0.00 179.01 178.87 2diu n ARG 61 N -3.58 -0.05 0.04 2.33 1.74 -1.01 0.17 116.66 116.30 2diu n ARG 61 Ca -0.04 1.23 -0.20 0.00 -0.77 0.00 0.00 57.85 58.07 2diu n ARG 61 Cb 0.18 -2.21 -0.11 0.00 -1.02 0.00 0.00 32.46 29.29 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 1.78 0.07 -0.19 7.54 0.00 -1.41 0.39 119.26 127.44 2diu h ALA 62 Ca 0.75 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2diu h ALA 62 Cb 1.98 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 2diu h ALA 62 CO -0.69 0.59 -0.07 0.37 0.00 0.00 0.00 179.25 179.45 2diu h GLN 63 N 0.22 0.29 0.00 0.00 -0.00 0.59 0.40 115.11 116.61 2diu h GLN 63 Ca -0.13 -0.06 -0.18 0.00 -0.00 0.00 0.00 58.65 58.28 2diu h GLN 63 Cb 1.65 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 29.06 2diu h GLN 63 CO 0.19 0.38 -1.40 1.57 0.00 0.00 0.00 178.83 179.57 2diu h LYS 64 N 0.28 0.00 0.17 1.69 5.09 -0.39 -3.16 116.57 120.25 2diu h LYS 64 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.79 2diu h LYS 64 Cb 0.31 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.64 2diu h LYS 64 CO 0.01 0.32 -0.08 -0.09 -2.09 0.00 0.00 179.45 177.52 2diu h ARG 65 N 0.00 -0.22 0.41 0.07 9.65 -0.51 -3.29 114.38 120.50 2diu h ARG 65 Ca -0.17 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.71 2diu h ARG 65 Cb 1.62 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.25 2diu h ARG 65 CO 0.05 0.13 -0.20 0.52 2.80 0.00 0.00 179.97 183.27 2diu h MET 66 N -0.96 -0.53 -1.76 0.20 2.86 -1.12 0.28 114.93 113.89 2diu h MET 66 Ca -0.02 0.04 0.53 0.00 -2.06 0.00 0.00 59.70 58.18 2diu h MET 66 Cb 0.45 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.14 2diu h MET 66 CO 0.04 -0.34 1.24 -0.85 1.06 0.00 0.00 176.91 178.06 2diu n GLU 67 N -5.32 -0.01 -0.04 1.72 0.28 -1.19 0.24 120.64 116.32 2diu n GLU 67 Ca -0.11 1.09 0.04 0.00 -0.16 0.00 0.00 57.16 58.01 2diu n GLU 67 Cb 0.24 -2.40 -0.16 0.00 1.43 0.00 0.00 31.44 30.55 2diu n GLU 67 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2diu n ASN 68 N -4.05 0.24 -4.43 -1.84 5.03 -0.90 -4.46 115.26 104.84 2diu n ASN 68 Ca 0.42 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.58 2diu n ASN 68 Cb 1.84 1.62 0.21 0.00 -1.02 0.00 0.00 39.78 42.43 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 -3.11 -0.40 -0.47 3.52 2.56 0.66 -4.91 118.70 116.55 2diu s GLU 69 Ca -0.08 0.43 0.03 0.00 0.00 0.00 0.00 54.97 55.35 2diu s GLU 69 Cb 0.11 -1.65 0.15 0.00 2.00 0.00 0.00 34.13 34.73 2diu s GLU 69 CO 0.84 -3.27 0.29 -0.51 -0.56 0.00 0.00 175.26 172.05 2diu s ASP 70 N -3.32 3.48 0.24 -1.70 1.01 -1.26 -3.26 116.67 111.87 2diu s ASP 70 Ca 0.67 -2.86 0.04 0.00 0.71 0.00 0.00 52.55 51.11 2diu s ASP 70 Cb -0.18 -1.02 0.65 0.00 1.01 0.00 0.00 42.92 43.38 2diu s ASP 70 CO 0.59 -0.23 1.20 0.55 0.21 0.00 0.00 175.17 177.49 2diu n VAL 71 N 3.23 -0.32 -3.15 -1.27 3.14 -1.18 -4.28 118.33 114.50 2diu n VAL 71 Ca 0.13 1.66 0.05 0.00 -2.96 0.00 0.00 64.34 63.23 2diu n VAL 71 Cb 0.37 -2.46 -0.01 0.00 -1.06 0.00 0.00 33.84 30.67 2diu n VAL 71 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2diu s PHE 72 N -5.61 -0.44 -0.39 1.45 0.08 -1.26 -4.94 117.98 106.87 2diu s PHE 72 Ca -0.09 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.32 2diu s PHE 72 Cb 0.23 0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.80 2diu s PHE 72 CO 0.60 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.88 2diu n GLY 73 N 5.31 0.21 3.63 4.36 0.00 -1.26 -4.80 105.19 112.64 2diu n GLY 73 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.44 -1.04 0.58 1.61 2.47 -1.26 -5.16 114.94 110.69 2diu s ASN 74 Ca 0.00 1.48 -0.19 0.00 0.42 0.00 0.00 52.86 54.57 2diu s ASN 74 Cb 0.00 2.04 -0.04 0.00 -1.45 0.00 0.00 41.25 41.80 2diu s ASN 74 CO 0.00 -0.21 1.21 -0.13 -3.72 0.00 0.00 177.10 174.25 2diu s ARG 75 N 2.56 3.03 0.20 0.43 0.52 -1.26 -3.09 118.95 121.35 2diu s ARG 75 Ca -0.07 1.84 0.09 0.00 -0.52 0.00 0.00 55.73 57.08 2diu s ARG 75 Cb -0.10 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 2diu s ARG 75 CO -0.19 -1.16 -0.10 0.96 0.02 0.00 0.00 175.30 174.83 2diu s ILE 76 N -1.58 3.09 -0.15 1.52 -4.36 -1.20 -4.83 121.20 113.69 2diu s ILE 76 Ca 0.76 -1.80 -0.01 0.00 -0.26 0.00 0.00 60.65 59.34 2diu s ILE 76 Cb -0.31 -2.56 -0.01 0.00 1.25 0.00 0.00 42.46 40.83 2diu s ILE 76 CO 0.34 -0.18 -0.11 -0.63 0.24 0.00 0.00 174.94 174.60 2diu s ILE 77 N -1.87 3.16 -0.13 8.37 1.01 -0.48 -3.80 121.20 127.46 2diu s ILE 77 Ca 0.26 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2diu s ILE 77 Cb -0.08 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 2diu s ILE 77 CO 0.15 0.51 -0.18 -0.69 0.00 0.00 0.00 174.94 174.73 2diu s VAL 78 N 0.52 2.49 0.05 2.92 1.01 -1.26 0.10 120.40 126.23 2diu s VAL 78 Ca -0.08 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2diu s VAL 78 Cb -0.15 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2diu s VAL 78 CO 0.04 0.54 -0.06 -0.55 0.00 0.00 0.00 175.10 175.06 2diu s SER 79 N 0.53 0.75 0.26 3.32 0.15 0.21 -4.89 113.70 114.02 2diu s SER 79 Ca -0.12 -0.62 0.15 0.00 0.70 0.00 0.00 55.95 56.06 2diu s SER 79 Cb -0.16 0.06 0.04 0.00 -1.71 0.00 0.00 66.02 64.25 2diu s SER 79 CO 0.04 -0.28 1.40 -0.26 1.20 0.00 0.00 173.24 175.35 2diu h PHE 80 N 4.27 0.00 -2.49 3.44 -1.00 -1.87 0.16 116.94 119.45 2diu h PHE 80 Ca -0.35 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 59.87 2diu h PHE 80 Cb 1.20 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.67 2diu h PHE 80 CO 0.64 0.52 -0.62 0.95 -1.61 0.00 0.00 178.31 178.19 2diu s THR 81 N -2.95 3.85 0.75 -1.55 -4.23 -1.26 -4.78 115.64 105.47 2diu s THR 81 Ca 0.03 -1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 58.87 2diu s THR 81 Cb 0.08 -3.01 0.05 0.00 1.34 0.00 0.00 72.50 70.95 2diu s THR 81 CO 0.75 -0.25 1.09 -2.16 -0.54 0.00 0.00 174.62 173.51 2diu s PRO 82 N -3.40 2.34 -0.43 3.99 0.04 -1.26 -4.89 135.00 131.40 2diu s PRO 82 Ca 0.30 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 2diu s PRO 82 Cb -0.08 -1.91 0.19 0.00 0.04 0.00 0.00 34.50 32.74 2diu s PRO 82 CO 0.21 -1.58 2.31 1.63 0.04 0.00 0.00 177.00 179.61 2diu n LYS 83 N -3.34 2.16 0.08 4.56 4.76 -1.26 -4.43 118.16 120.69 2diu n LYS 83 Ca 0.09 -2.12 -0.22 0.00 -2.87 0.00 0.00 58.31 53.19 2diu n LYS 83 Cb 0.53 -1.91 -0.14 0.00 -1.84 0.00 0.00 35.03 31.66 2diu n LYS 83 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 2diu h ASN 84 N 2.17 0.68 -3.50 4.39 -1.24 -2.06 -3.45 115.58 112.57 2diu h ASN 84 Ca 0.37 -0.89 -0.27 0.00 0.71 0.00 0.00 56.30 56.22 2diu h ASN 84 Cb 0.79 -0.22 -0.33 0.00 0.73 0.00 0.00 38.32 39.30 2diu h ASN 84 CO 0.92 1.51 -0.68 -0.13 -1.29 0.00 0.00 177.43 177.77 2diu s ARG 85 N -2.70 0.02 -0.44 6.67 1.81 -1.26 -5.12 118.95 117.92 2diu s ARG 85 Ca -0.11 0.25 -0.25 0.00 -1.72 0.00 0.00 55.73 53.90 2diu s ARG 85 Cb 0.03 -0.21 0.02 0.00 -0.45 0.00 0.00 34.95 34.35 2diu s ARG 85 CO 0.89 -0.16 0.88 -1.83 -0.68 0.00 0.00 175.30 174.39 2diu s GLU 86 N 1.06 3.54 -0.06 3.54 -1.05 -1.26 -5.01 118.70 119.46 2diu s GLU 86 Ca -0.09 0.13 -0.13 0.00 -0.15 0.00 0.00 54.97 54.73 2diu s GLU 86 Cb -0.12 -3.91 0.03 0.00 -0.44 0.00 0.00 34.13 29.69 2diu s GLU 86 CO -0.04 -1.15 0.31 -0.51 0.95 0.00 0.00 175.26 174.83 2diu s LEU 87 N 3.56 0.82 -0.09 1.83 1.43 -1.26 -5.06 118.68 119.92 2diu s LEU 87 Ca 0.35 0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 53.61 2diu s LEU 87 Cb -0.11 1.20 -0.28 0.00 0.03 0.00 0.00 46.19 47.02 2diu s LEU 87 CO 0.24 -0.31 0.63 0.00 0.23 0.00 0.00 176.35 177.14 2diu s GLU 89 N -2.49 0.67 -0.25 0.00 1.03 -1.26 -5.06 118.70 111.35 2diu s GLU 89 Ca -0.18 -0.31 -0.10 0.00 0.03 0.00 0.00 54.97 54.41 2diu s GLU 89 Cb 0.04 0.27 -0.15 0.00 -0.80 0.00 0.00 34.13 33.48 2diu s GLU 89 CO 0.79 -0.30 -0.19 -2.37 -1.33 0.00 0.00 175.26 171.86 2diu n THR 90 N -0.31 1.54 0.40 1.83 5.66 -1.26 -4.30 114.28 117.84 2diu n THR 90 Ca -0.06 -0.41 0.11 0.00 -3.05 0.00 0.00 64.05 60.64 2diu n THR 90 Cb 0.61 -1.76 0.47 0.00 -1.55 0.00 0.00 70.33 68.10 2diu n THR 90 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2diu n SER 91 N -3.93 0.59 -0.74 1.09 3.41 -1.26 -4.99 113.62 107.79 2diu n SER 91 Ca -0.48 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 58.85 2diu n SER 91 Cb 0.90 -0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 2diu n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2diu n GLY 92 N -0.04 -1.79 3.70 5.00 0.00 -1.26 -4.76 105.19 106.04 2diu n GLY 92 Ca 0.02 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.01 4.29 -0.35 1.61 0.04 -1.26 -5.00 135.00 133.33 2diu s PRO 93 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2diu s PRO 93 Cb 0.00 -3.47 0.11 0.00 0.04 0.00 0.00 34.50 31.18 2diu s PRO 93 CO 0.00 -0.54 0.14 -1.54 0.04 0.00 0.00 177.00 175.10 2diu s SER 94 N 1.66 3.93 0.08 6.66 1.04 -1.26 -5.11 113.70 120.70 2diu s SER 94 Ca 0.65 -1.95 0.04 0.00 0.48 0.00 0.00 55.95 55.17 2diu s SER 94 Cb -0.34 -0.93 -0.03 0.00 0.10 0.00 0.00 66.02 64.82 2diu s SER 94 CO 0.28 -0.37 -0.11 -0.94 0.98 0.00 0.00 173.24 173.08 2diu s SER 95 N 1.23 1.43 0.00 7.02 1.04 -1.26 -5.28 113.70 117.87 2diu s SER 95 Ca 0.12 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2diu s SER 95 Cb -0.19 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2diu s SER 95 CO -0.16 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.49