#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 -2.86 -3.64 1.61 7.64 -1.26 -5.03 113.62 110.07 2diu n SER 2 Ca 0.00 -0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.80 2diu n SER 2 Cb 0.00 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.33 2diu n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diu s SER 3 N -1.49 -0.35 -0.92 6.43 1.04 -1.26 -4.99 113.70 112.16 2diu s SER 3 Ca 0.48 0.66 -0.16 0.00 0.48 0.00 0.00 55.95 57.41 2diu s SER 3 Cb -0.05 0.73 0.17 0.00 0.10 0.00 0.00 66.02 66.97 2diu s SER 3 CO 0.68 -0.11 1.02 -0.83 0.98 0.00 0.00 173.24 174.97 2diu s GLY 4 N 0.32 2.26 -0.38 7.32 0.00 -1.26 -4.97 107.32 110.60 2diu s GLY 4 Ca 0.03 -3.03 -0.08 0.00 0.00 0.00 0.00 44.72 41.63 2diu s GLY 4 CO -0.09 1.73 0.19 -0.45 0.00 0.00 0.00 173.10 174.47 2diu s SER 5 N 2.99 5.51 0.14 1.64 0.15 -1.26 -5.07 113.70 117.79 2diu s SER 5 Ca 0.28 -1.30 0.06 0.00 0.70 0.00 0.00 55.95 55.69 2diu s SER 5 Cb -0.07 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 2diu s SER 5 CO -0.09 -0.43 -0.13 -0.44 1.20 0.00 0.00 173.24 173.35 2diu s SER 6 N 1.72 2.04 0.00 5.45 0.01 -1.26 -4.89 113.70 116.78 2diu s SER 6 Ca 0.01 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2diu s SER 6 Cb -0.21 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2diu s SER 6 CO 0.03 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2diu n GLY 7 N 0.28 -1.65 0.07 3.44 0.00 -1.26 -4.84 105.19 101.24 2diu n GLY 7 Ca -0.13 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.08 2.50 -0.23 0.00 0.09 -1.24 -4.47 115.29 108.85 2diu s HIS 9 Ca -0.16 1.57 0.01 0.00 -0.00 0.00 0.00 55.06 56.48 2diu s HIS 9 Cb -0.01 -3.19 0.06 0.00 -0.00 0.00 0.00 32.58 29.44 2diu s HIS 9 CO 0.62 -1.87 -0.08 0.99 -0.00 0.00 0.00 174.74 174.40 2diu s THR 10 N -2.44 1.74 0.11 1.30 2.01 0.63 -4.91 115.64 114.08 2diu s THR 10 Ca 0.67 -1.29 -0.13 0.00 0.31 0.00 0.00 61.69 61.25 2diu s THR 10 Cb -0.21 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.32 2diu s THR 10 CO 0.46 -0.01 0.49 -0.76 -0.69 0.00 0.00 174.62 174.11 2diu s LEU 11 N 1.31 4.37 0.18 4.42 1.43 -1.26 -0.55 118.68 128.58 2diu s LEU 11 Ca -0.06 0.98 0.07 0.00 -1.03 0.00 0.00 54.13 54.10 2diu s LEU 11 Cb -0.19 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2diu s LEU 11 CO -0.06 0.16 0.00 -0.76 0.23 0.00 0.00 176.35 175.92 2diu s LEU 12 N -1.81 3.31 -0.23 1.79 1.43 -0.85 -4.83 118.68 117.49 2diu s LEU 12 Ca 0.34 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2diu s LEU 12 Cb -0.15 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 44.17 2diu s LEU 12 CO 0.18 0.08 -0.09 -0.31 0.23 0.00 0.00 176.35 176.44 2diu s TYR 13 N -1.77 2.64 0.05 0.29 2.02 -0.02 -1.92 117.35 118.64 2diu s TYR 13 Ca 0.28 -1.84 -0.04 0.00 -0.37 0.00 0.00 57.07 55.10 2diu s TYR 13 Cb -0.09 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.72 2diu s TYR 13 CO 0.19 -0.79 0.27 0.08 -1.57 0.00 0.00 175.55 173.72 2diu s VAL 14 N 1.32 5.31 0.21 0.71 1.01 0.11 -0.32 120.40 128.75 2diu s VAL 14 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2diu s VAL 14 Cb -0.18 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2diu s VAL 14 CO -0.07 0.22 0.16 -0.31 0.00 0.00 0.00 175.10 175.10 2diu s TYR 15 N -1.44 1.19 -1.02 5.22 1.51 0.22 -1.40 117.35 121.62 2diu s TYR 15 Ca 0.33 -1.38 -0.01 0.00 -1.01 0.00 0.00 57.07 54.99 2diu s TYR 15 Cb -0.13 -0.55 -0.01 0.00 -0.11 0.00 0.00 41.96 41.16 2diu s TYR 15 CO 0.22 -0.68 0.85 -1.71 -1.11 0.00 0.00 175.55 173.12 2diu n ASN 16 N -0.40 -2.72 -4.88 2.29 5.15 -0.79 -1.24 115.26 112.67 2diu n ASN 16 Ca 0.02 -0.55 -0.31 0.00 -0.60 0.00 0.00 54.58 53.14 2diu n ASN 16 Cb 0.65 -4.52 -0.05 0.00 -0.53 0.00 0.00 39.78 35.34 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2diu s LEU 17 N -5.65 4.12 -1.02 1.20 1.43 -1.14 -4.40 118.68 113.21 2diu s LEU 17 Ca 0.07 0.89 -0.24 0.00 -1.03 0.00 0.00 54.13 53.82 2diu s LEU 17 Cb -0.01 -3.67 -0.06 0.00 0.03 0.00 0.00 46.19 42.47 2diu s LEU 17 CO 0.63 -0.13 1.94 -2.16 0.23 0.00 0.00 176.35 176.87 2diu s PRO 18 N -3.07 2.53 0.23 1.29 0.04 -1.26 -4.81 135.00 129.94 2diu s PRO 18 Ca 0.47 -0.66 -0.09 0.00 0.04 0.00 0.00 61.00 60.76 2diu s PRO 18 Cb -0.11 -5.14 0.36 0.00 0.04 0.00 0.00 34.50 29.66 2diu s PRO 18 CO 0.24 -3.64 1.65 0.00 0.04 0.00 0.00 177.00 175.29 2diu h ALA 19 N 10.63 0.69 -0.70 8.56 0.00 -1.94 0.46 119.26 136.96 2diu h ALA 19 Ca 0.15 0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.40 2diu h ALA 19 Cb 0.98 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 2diu h ALA 19 CO 1.22 -0.40 0.24 -0.91 0.00 0.00 0.00 179.25 179.40 2diu h ASN 20 N 0.11 0.19 -1.94 0.00 4.21 -2.03 -3.38 115.58 112.75 2diu h ASN 20 Ca 0.37 0.11 -0.51 0.00 1.21 0.00 0.00 56.30 57.47 2diu h ASN 20 Cb 0.62 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 2diu h ASN 20 CO -0.59 0.08 1.48 -0.54 -1.29 0.00 0.00 177.43 176.57 2diu s LYS 21 N -6.05 2.61 -0.23 0.81 -0.14 0.15 -4.85 119.74 112.05 2diu s LYS 21 Ca -0.13 1.33 -0.33 0.00 -1.36 0.00 0.00 55.97 55.48 2diu s LYS 21 Cb 0.20 -4.44 -0.15 0.00 -1.68 0.00 0.00 37.83 31.76 2diu s LYS 21 CO 0.76 -2.71 1.03 -0.25 -0.76 0.00 0.00 175.35 173.42 2diu n ASP 22 N 13.49 0.54 -0.34 2.83 8.00 -1.26 -4.37 116.55 135.44 2diu n ASP 22 Ca 0.29 0.87 0.08 0.00 0.71 0.00 0.00 54.79 56.74 2diu n ASP 22 Cb 0.51 -0.66 0.17 0.00 -0.02 0.00 0.00 41.12 41.12 2diu n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2diu n GLY 23 N 2.24 -1.54 0.28 0.44 0.00 -1.26 0.28 105.19 105.62 2diu n GLY 23 Ca 0.20 1.01 0.02 0.00 0.00 0.00 0.00 46.02 47.25 2diu n GLY 23 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2diu h LYS 24 N 0.00 0.02 -0.24 1.61 1.63 -2.01 0.57 116.57 118.15 2diu h LYS 24 Ca 0.49 -0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.21 2diu h LYS 24 Cb 0.81 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 2diu h LYS 24 CO -0.97 0.01 -0.15 0.77 -3.45 0.00 0.00 179.45 175.67 2diu h SER 25 N 0.02 0.55 0.10 4.20 0.02 -0.48 -3.24 113.55 114.71 2diu h SER 25 Ca 0.37 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2diu h SER 25 Cb 0.59 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2diu h SER 25 CO -0.74 0.86 -0.27 0.58 -1.14 0.00 0.00 176.83 176.11 2diu h VAL 26 N 0.24 0.00 -0.24 2.27 2.07 0.15 -2.88 116.25 117.85 2diu h VAL 26 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2diu h VAL 26 Cb 0.66 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2diu h VAL 26 CO 0.04 0.00 -0.14 -1.54 0.02 0.00 0.00 177.57 175.95 2diu n SER 27 N -4.01 -0.26 -0.31 0.57 3.41 0.00 -0.76 113.62 112.26 2diu n SER 27 Ca -0.05 1.03 -0.08 0.00 -0.26 0.00 0.00 58.87 59.51 2diu n SER 27 Cb 0.22 -0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 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 -3.48 -0.78 -0.30 4.04 2.85 -1.17 0.14 115.26 116.56 2diu n ASN 28 Ca 0.00 1.33 0.11 0.00 -0.11 0.00 0.00 54.58 55.92 2diu n ASN 28 Cb 0.06 -0.18 0.26 0.00 1.24 0.00 0.00 39.78 41.16 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 0.12 -0.01 1.20 9.65 -0.73 -0.13 114.38 124.48 2diu h ARG 29 Ca 0.12 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2diu h ARG 29 Cb 0.30 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2diu h ARG 29 CO -0.70 0.08 -0.01 -0.07 2.80 0.00 0.00 179.97 182.08 2diu h LEU 30 N 0.13 0.03 -0.76 3.80 4.07 0.16 -3.24 115.31 119.50 2diu h LEU 30 Ca 0.53 -0.48 0.16 0.00 0.08 0.00 0.00 57.88 58.17 2diu h LEU 30 Cb 1.05 -0.01 -0.14 0.00 1.08 0.00 0.00 40.66 42.64 2diu h LEU 30 CO -0.73 0.50 -0.15 0.54 -1.08 0.00 0.00 178.44 177.52 2diu n ARG 31 N -4.84 -0.07 -0.10 1.13 1.74 0.80 0.17 116.66 115.50 2diu n ARG 31 Ca -0.08 1.18 -0.09 0.00 -0.77 0.00 0.00 57.85 58.09 2diu n ARG 31 Cb 0.26 -1.78 -0.01 0.00 -1.02 0.00 0.00 32.46 29.91 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 0.45 0.00 5.56 2.47 -1.51 0.29 114.38 121.64 2diu h ARG 32 Ca 0.38 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.06 2diu h ARG 32 Cb 0.62 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 2diu h ARG 32 CO -0.77 0.31 -0.06 -0.07 0.56 0.00 0.00 179.97 179.95 2diu h LEU 33 N 0.44 0.00 0.10 3.04 3.38 0.17 -1.91 115.31 120.53 2diu h LEU 33 Ca 0.12 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.77 2diu h LEU 33 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2diu h LEU 33 CO -0.02 0.06 -1.75 0.77 0.09 0.00 0.00 178.44 177.58 2diu h SER 34 N 0.00 0.32 -0.66 -0.43 4.64 0.14 -3.15 113.55 114.41 2diu h SER 34 Ca -0.00 -0.58 -0.07 0.00 -0.47 0.00 0.00 61.79 60.67 2diu h SER 34 Cb 0.21 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 2diu h SER 34 CO 0.01 1.51 0.13 -0.78 -0.87 0.00 0.00 176.83 176.82 2diu h ASP 35 N 0.06 1.04 0.30 4.97 3.58 0.05 1.99 116.42 128.41 2diu h ASP 35 Ca -0.32 -0.24 -0.16 0.00 0.42 0.00 0.00 57.03 56.73 2diu h ASP 35 Cb 2.03 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.79 2diu h ASP 35 CO 0.12 1.02 -0.64 -1.13 -2.88 0.00 0.00 179.24 175.73 2diu h ASN 36 N 1.03 0.37 -0.97 2.28 -0.73 -1.51 -3.08 115.58 112.96 2diu h ASN 36 Ca 0.21 -0.22 -0.54 0.00 1.87 0.00 0.00 56.30 57.62 2diu h ASN 36 Cb 0.41 -0.11 -0.30 0.00 0.27 0.00 0.00 38.32 38.60 2diu h ASN 36 CO 0.01 0.91 0.69 0.00 -0.37 0.00 0.00 177.43 178.67 2diu n GLY 38 N -1.05 -1.13 3.78 0.00 0.00 -0.69 -4.61 105.19 101.49 2diu n GLY 38 Ca 0.59 0.67 -0.08 0.00 0.00 0.00 0.00 46.02 47.19 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 -2.81 0.27 -0.21 -0.02 0.00 0.67 -4.21 107.32 101.01 2diu s GLY 39 Ca 0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 44.72 44.10 2diu s GLY 39 CO 0.87 -0.31 0.36 1.25 0.00 0.00 0.00 173.10 175.27 2diu s LYS 40 N -3.35 0.30 -0.70 2.90 2.20 -0.92 -3.63 119.74 116.54 2diu s LYS 40 Ca 0.16 0.70 -0.26 0.00 -0.36 0.00 0.00 55.97 56.21 2diu s LYS 40 Cb -0.05 -0.21 -0.11 0.00 -1.51 0.00 0.00 37.83 35.95 2diu s LYS 40 CO 0.10 -0.47 2.39 0.54 -0.36 0.00 0.00 175.35 177.54 2diu s VAL 41 N 2.54 3.03 0.13 4.02 0.11 -1.26 -1.24 120.40 127.72 2diu s VAL 41 Ca 0.06 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.80 2diu s VAL 41 Cb -0.14 -3.06 -0.07 0.00 -1.53 0.00 0.00 36.38 31.58 2diu s VAL 41 CO -0.14 -0.06 1.57 -0.07 -3.33 0.00 0.00 175.10 173.07 2diu h LEU 42 N 21.43 -1.51 -8.18 2.54 3.38 -1.16 -3.46 115.31 128.36 2diu h LEU 42 Ca -0.08 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2diu h LEU 42 Cb 1.09 0.61 -0.08 0.00 0.09 0.00 0.00 40.66 42.37 2diu h LEU 42 CO 1.06 -0.44 -0.02 -0.44 0.09 0.00 0.00 178.44 178.69 2diu s SER 43 N -4.91 -0.12 -0.23 -0.43 0.01 -1.09 -5.04 113.70 101.88 2diu s SER 43 Ca -0.15 -0.86 -0.03 0.00 1.31 0.00 0.00 55.95 56.22 2diu s SER 43 Cb 0.09 0.63 0.08 0.00 0.21 0.00 0.00 66.02 67.02 2diu s SER 43 CO 0.63 -1.20 0.08 -0.63 0.41 0.00 0.00 173.24 172.52 2diu s ILE 44 N -3.96 0.38 -0.11 1.44 1.01 -1.26 -1.40 121.20 117.29 2diu s ILE 44 Ca 0.19 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 2diu s ILE 44 Cb -0.02 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2diu s ILE 44 CO 0.09 -0.42 0.06 0.42 0.00 0.00 0.00 174.94 175.09 2diu s THR 45 N 1.90 4.79 0.00 2.92 -4.23 0.02 -4.96 115.64 116.09 2diu s THR 45 Ca 0.04 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2diu s THR 45 Cb -0.17 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2diu s THR 45 CO -0.17 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 2diu n GLY 46 N 2.35 1.32 1.41 3.99 0.00 -1.26 0.48 105.19 113.48 2diu n GLY 46 Ca -0.19 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 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 0.51 0.18 0.09 0.00 1.04 0.18 -1.88 113.70 113.83 2diu s SER 48 Ca 0.16 -0.98 -0.11 0.00 0.48 0.00 0.00 55.95 55.49 2diu s SER 48 Cb 0.13 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.62 2diu s SER 48 CO 0.02 -0.79 0.26 0.00 0.98 0.00 0.00 173.24 173.71 2diu s ALA 49 N -3.98 -0.46 -0.12 5.32 0.00 -0.50 -0.80 121.76 121.22 2diu s ALA 49 Ca 0.18 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 2diu s ALA 49 Cb 0.05 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.73 2diu s ALA 49 CO -0.01 -0.54 -0.06 0.42 0.00 0.00 0.00 175.76 175.57 2diu s ILE 50 N -3.73 0.98 0.38 0.00 1.01 -0.49 -0.71 121.20 118.63 2diu s ILE 50 Ca 0.03 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.42 2diu s ILE 50 Cb 0.04 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 2diu s ILE 50 CO -0.11 0.29 0.45 -0.76 0.00 0.00 0.00 174.94 174.82 2diu s LEU 51 N 1.72 3.68 -0.18 2.97 1.02 -0.81 -0.62 118.68 126.47 2diu s LEU 51 Ca 0.04 -0.43 -0.00 0.00 0.02 0.00 0.00 54.13 53.75 2diu s LEU 51 Cb -0.13 -2.49 0.05 0.00 0.02 0.00 0.00 46.19 43.64 2diu s LEU 51 CO -0.08 -0.57 -0.05 -0.60 0.02 0.00 0.00 176.35 175.07 2diu s ARG 52 N -4.19 1.42 0.06 1.70 6.06 -0.37 -2.00 118.95 121.62 2diu s ARG 52 Ca 0.48 -0.58 0.05 0.00 -2.50 0.00 0.00 55.73 53.18 2diu s ARG 52 Cb -0.08 -2.11 -0.04 0.00 0.06 0.00 0.00 34.95 32.79 2diu s ARG 52 CO 0.30 -0.47 -0.09 -0.06 -2.50 0.00 0.00 175.30 172.49 2diu s PHE 53 N 1.61 2.80 0.15 5.12 0.40 0.29 -2.15 117.98 126.20 2diu s PHE 53 Ca -0.00 -0.11 -0.22 0.00 -0.60 0.00 0.00 56.93 56.00 2diu s PHE 53 Cb -0.16 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 41.90 2diu s PHE 53 CO -0.08 0.39 1.64 0.97 0.70 0.00 0.00 175.22 178.84 2diu h ILE 54 N 3.47 0.42 -4.33 0.64 6.09 -1.83 0.18 117.51 122.15 2diu h ILE 54 Ca -0.48 0.00 -0.25 0.00 -1.37 0.00 0.00 64.86 62.75 2diu h ILE 54 Cb 1.17 0.42 -0.12 0.00 0.47 0.00 0.00 36.82 38.76 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 -5.06 0.59 0.03 2.19 2.20 -1.26 -3.71 114.94 109.92 2diu s ASN 55 Ca -0.15 -1.39 -0.09 0.00 -0.94 0.00 0.00 52.86 50.29 2diu s ASN 55 Cb 0.12 0.53 -0.04 0.00 -2.00 0.00 0.00 41.25 39.87 2diu s ASN 55 CO 0.68 -1.07 1.15 -0.61 -2.94 0.00 0.00 177.10 174.32 2diu h GLN 56 N 2.32 -0.15 -0.54 3.55 4.15 -1.88 -1.66 115.11 120.90 2diu h GLN 56 Ca -0.30 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.18 2diu h GLN 56 Cb 1.24 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.90 2diu h GLN 56 CO 0.42 -0.10 -0.32 -3.47 -1.93 0.00 0.00 178.83 173.44 2diu n ASP 57 N -3.38 -0.57 -0.26 -0.69 -0.08 -1.26 0.16 116.55 110.48 2diu n ASP 57 Ca -0.02 1.09 0.07 0.00 -1.51 0.00 0.00 54.79 54.42 2diu n ASP 57 Cb 0.10 -0.19 0.20 0.00 2.34 0.00 0.00 41.12 43.57 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 0.07 -0.32 1.67 0.02 -1.82 -0.41 113.55 112.77 2diu h SER 58 Ca 0.09 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2diu h SER 58 Cb 0.22 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2diu h SER 58 CO -0.50 -0.03 0.12 0.00 -1.14 0.00 0.00 176.83 175.28 2diu h ALA 59 N 1.62 0.41 0.08 3.77 0.00 0.25 -3.18 119.26 122.21 2diu h ALA 59 Ca 0.43 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2diu h ALA 59 Cb 0.75 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2diu h ALA 59 CO -0.51 0.01 -0.33 0.93 0.00 0.00 0.00 179.25 179.36 2diu h GLU 60 N 0.36 -0.45 -1.36 0.00 5.08 0.12 0.69 114.58 119.02 2diu h GLU 60 Ca 0.10 0.03 0.40 0.00 -1.00 0.00 0.00 59.36 58.89 2diu h GLU 60 Cb 0.19 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2diu h GLU 60 CO -0.01 -0.30 1.21 0.00 -1.00 0.00 0.00 179.01 178.91 2diu h ARG 61 N -0.47 0.00 0.00 2.33 3.08 -1.41 2.07 114.38 119.98 2diu h ARG 61 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.77 2diu h ARG 61 Cb 0.47 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 2diu h ARG 61 CO -0.18 0.00 -1.88 0.00 -1.07 0.00 0.00 179.97 176.84 2diu n ALA 62 N -2.56 1.66 0.18 0.04 0.00 0.07 -3.30 120.51 116.60 2diu n ALA 62 Ca 0.30 -0.89 0.07 0.00 0.00 0.00 0.00 53.44 52.93 2diu n ALA 62 Cb 1.63 -0.66 0.10 0.00 0.00 0.00 0.00 19.45 20.52 2diu n ALA 62 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2diu h GLN 63 N 0.00 0.00 0.00 0.00 -0.00 0.90 -1.64 115.11 114.37 2diu h GLN 63 Ca -0.33 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.27 2diu h GLN 63 Cb 1.94 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.42 2diu h GLN 63 CO 0.05 0.25 -1.22 0.36 0.00 0.00 0.00 178.83 178.27 2diu n LYS 64 N -3.16 0.62 -0.01 1.69 -0.00 0.17 -3.08 118.16 114.37 2diu n LYS 64 Ca 0.03 0.12 -0.15 0.00 -0.00 0.00 0.00 58.31 58.30 2diu n LYS 64 Cb 0.63 -1.79 -0.14 0.00 -0.00 0.00 0.00 35.03 33.73 2diu n LYS 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2diu n ARG 65 N -2.69 0.70 0.09 -1.58 -4.01 -1.21 -4.18 116.66 103.78 2diu n ARG 65 Ca -0.03 0.26 -0.07 0.00 -1.04 0.00 0.00 57.85 56.97 2diu n ARG 65 Cb 0.64 -1.73 0.01 0.00 -3.04 0.00 0.00 32.46 28.33 2diu n ARG 65 CO 0.00 0.00 0.00 0.52 -3.04 0.00 0.00 177.63 175.11 2diu h MET 66 N 0.04 0.12 -1.03 2.89 2.86 -1.46 -2.06 114.93 116.29 2diu h MET 66 Ca -0.38 -0.13 0.33 0.00 -2.06 0.00 0.00 59.70 57.47 2diu h MET 66 Cb 2.03 0.04 -0.15 0.00 0.06 0.00 0.00 31.60 33.58 2diu h MET 66 CO 0.08 0.89 0.59 1.05 1.06 0.00 0.00 176.91 180.58 2diu h GLU 67 N 0.06 0.28 0.00 1.72 4.11 -1.70 -1.05 114.58 118.00 2diu h GLU 67 Ca -0.03 -0.02 -0.35 0.00 0.07 0.00 0.00 59.36 59.03 2diu h GLU 67 Cb 1.47 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.59 2diu h GLU 67 CO 0.12 0.19 -2.32 0.27 0.07 0.00 0.00 179.01 177.34 2diu n ASN 68 N -5.02 0.54 -4.45 3.06 0.23 -1.23 -4.42 115.26 103.96 2diu n ASN 68 Ca 0.32 -0.02 -0.39 0.00 -0.53 0.00 0.00 54.58 53.96 2diu n ASN 68 Cb 1.03 0.79 0.03 0.00 -2.08 0.00 0.00 39.78 39.55 2diu n ASN 68 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2diu n GLU 69 N -2.77 0.53 -3.85 -3.83 4.07 -0.40 -4.54 120.64 109.85 2diu n GLU 69 Ca -0.33 0.20 -0.30 0.00 -0.06 0.00 0.00 57.16 56.68 2diu n GLU 69 Cb 1.10 -1.61 -0.15 0.00 -0.06 0.00 0.00 31.44 30.72 2diu n GLU 69 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2diu s ASP 70 N -1.07 3.86 0.29 4.31 -4.77 -1.26 -1.37 116.67 116.67 2diu s ASP 70 Ca 0.66 -1.38 0.03 0.00 -3.30 0.00 0.00 52.55 48.55 2diu s ASP 70 Cb -0.50 -1.04 0.74 0.00 -1.09 0.00 0.00 42.92 41.03 2diu s ASP 70 CO 0.56 -0.32 1.63 0.58 0.70 0.00 0.00 175.17 178.32 2diu h VAL 71 N 6.58 0.24 -0.72 2.11 2.07 -1.92 -3.39 116.25 121.22 2diu h VAL 71 Ca -0.14 -0.05 0.13 0.00 0.82 0.00 0.00 66.70 67.45 2diu h VAL 71 Cb 1.06 0.08 -0.21 0.00 -1.52 0.00 0.00 31.29 30.69 2diu h VAL 71 CO 0.43 0.03 -0.16 -0.36 0.02 0.00 0.00 177.57 177.53 2diu s PHE 72 N -5.93 -1.24 -1.60 1.57 0.08 -1.26 -4.95 117.98 104.65 2diu s PHE 72 Ca -0.12 1.06 -0.19 0.00 0.12 0.00 0.00 56.93 57.80 2diu s PHE 72 Cb 0.27 0.34 0.18 0.00 -0.57 0.00 0.00 43.02 43.24 2diu s PHE 72 CO 0.77 -0.70 0.57 0.41 -0.10 0.00 0.00 175.22 176.17 2diu n GLY 73 N 5.39 -0.43 3.42 4.36 0.00 -1.26 -4.87 105.19 111.81 2diu n GLY 73 Ca 0.01 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.08 -0.57 0.22 1.61 2.47 -1.26 -5.13 114.94 109.21 2diu s ASN 74 Ca 0.70 0.79 -0.30 0.00 0.42 0.00 0.00 52.86 54.47 2diu s ASN 74 Cb -0.40 1.62 -0.09 0.00 -1.45 0.00 0.00 41.25 40.93 2diu s ASN 74 CO 0.86 -0.11 1.22 -0.60 -3.72 0.00 0.00 177.10 174.75 2diu s ARG 75 N 2.36 4.48 0.15 0.43 3.52 -1.26 -3.07 118.95 125.55 2diu s ARG 75 Ca -0.03 1.95 0.04 0.00 -0.13 0.00 0.00 55.73 57.56 2diu s ARG 75 Cb -0.06 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 2diu s ARG 75 CO -0.17 -0.08 0.18 0.96 -0.81 0.00 0.00 175.30 175.38 2diu s ILE 76 N -0.36 4.80 -0.14 4.11 -4.36 -0.47 -4.88 121.20 119.91 2diu s ILE 76 Ca 0.52 -0.90 -0.04 0.00 -0.26 0.00 0.00 60.65 59.97 2diu s ILE 76 Cb -0.34 -3.45 -0.03 0.00 1.25 0.00 0.00 42.46 39.89 2diu s ILE 76 CO 0.40 -0.08 -0.02 -0.63 0.24 0.00 0.00 174.94 174.85 2diu s ILE 77 N -1.71 4.05 -0.14 8.37 1.01 -0.37 -4.17 121.20 128.24 2diu s ILE 77 Ca 0.32 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.68 2diu s ILE 77 Cb -0.11 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2diu s ILE 77 CO 0.25 0.51 -0.18 -0.69 0.00 0.00 0.00 174.94 174.83 2diu s VAL 78 N 0.10 2.43 0.04 2.92 1.01 -1.26 0.70 120.40 126.35 2diu s VAL 78 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2diu s VAL 78 Cb -0.13 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2diu s VAL 78 CO 0.02 0.53 -0.07 -0.55 0.00 0.00 0.00 175.10 175.04 2diu s SER 79 N 0.69 0.77 0.25 3.32 0.15 0.56 -4.88 113.70 114.56 2diu s SER 79 Ca -0.09 -0.56 0.15 0.00 0.70 0.00 0.00 55.95 56.15 2diu s SER 79 Cb -0.16 0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 2diu s SER 79 CO 0.01 -0.23 1.38 -0.26 1.20 0.00 0.00 173.24 175.35 2diu h PHE 80 N 4.47 0.00 -2.65 3.44 -1.00 -1.88 -0.01 116.94 119.31 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 -0.08 0.00 3.61 0.00 0.00 35.95 40.68 2diu h PHE 80 CO 0.65 0.54 -0.59 0.95 -1.61 0.00 0.00 178.31 178.25 2diu s THR 81 N -2.94 4.23 0.68 -1.55 -4.23 -1.26 -4.77 115.64 105.80 2diu s THR 81 Ca 0.03 -1.26 -0.14 0.00 -1.18 0.00 0.00 61.69 59.14 2diu s THR 81 Cb 0.08 -3.17 0.01 0.00 1.34 0.00 0.00 72.50 70.75 2diu s THR 81 CO 0.76 -0.16 1.11 -2.16 -0.54 0.00 0.00 174.62 173.63 2diu s PRO 82 N -3.19 2.72 -0.20 3.99 0.04 -1.26 -4.89 135.00 132.21 2diu s PRO 82 Ca 0.30 1.35 0.07 0.00 0.04 0.00 0.00 61.00 62.76 2diu s PRO 82 Cb -0.09 -1.94 -0.21 0.00 0.04 0.00 0.00 34.50 32.29 2diu s PRO 82 CO 0.22 -1.31 0.05 1.63 0.04 0.00 0.00 177.00 177.63 2diu n LYS 83 N -2.59 0.68 -0.14 4.56 4.76 -1.26 -4.48 118.16 119.68 2diu n LYS 83 Ca 0.10 0.14 -0.08 0.00 -2.87 0.00 0.00 58.31 55.60 2diu n LYS 83 Cb 0.52 -1.58 -0.02 0.00 -1.84 0.00 0.00 35.03 32.11 2diu n LYS 83 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2diu h ASN 84 N 0.01 -1.21 -4.74 4.39 4.21 -2.06 -3.42 115.58 112.76 2diu h ASN 84 Ca -0.52 0.21 -0.23 0.00 1.21 0.00 0.00 56.30 56.98 2diu h ASN 84 Cb 2.04 0.56 -0.22 0.00 -1.12 0.00 0.00 38.32 39.58 2diu h ASN 84 CO -0.01 -0.33 -0.72 -0.13 -1.29 0.00 0.00 177.43 174.95 2diu s ARG 85 N -5.95 0.39 0.01 0.81 1.81 -1.26 -5.16 118.95 109.60 2diu s ARG 85 Ca -0.15 -0.61 0.04 0.00 -1.72 0.00 0.00 55.73 53.30 2diu s ARG 85 Cb 0.13 -0.10 -0.01 0.00 -0.45 0.00 0.00 34.95 34.52 2diu s ARG 85 CO 0.67 0.01 -0.13 -2.00 -0.68 0.00 0.00 175.30 173.17 2diu s GLU 86 N -1.33 0.97 0.00 3.54 2.56 -1.26 -4.58 118.70 118.60 2diu s GLU 86 Ca -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 54.97 54.28 2diu s GLU 86 Cb -0.09 -0.96 0.00 0.00 2.00 0.00 0.00 34.13 35.09 2diu s GLU 86 CO -0.00 0.25 0.00 1.47 -0.56 0.00 0.00 175.26 176.42 2diu n LEU 87 N 2.40 0.75 -3.81 2.70 -0.00 -1.26 -5.03 117.00 112.75 2diu n LEU 87 Ca -0.16 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.63 2diu n LEU 87 Cb 0.55 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.90 2diu n LEU 87 CO 0.24 0.13 -0.34 0.00 -0.00 0.00 0.00 177.39 177.42 2diu s GLU 89 N -6.17 0.59 -0.27 0.00 4.04 -1.26 -4.71 118.70 110.92 2diu s GLU 89 Ca 0.01 0.93 0.01 0.00 0.04 0.00 0.00 54.97 55.96 2diu s GLU 89 Cb -0.01 0.16 0.07 0.00 0.02 0.00 0.00 34.13 34.37 2diu s GLU 89 CO 0.72 -0.13 -0.02 0.95 -1.84 0.00 0.00 175.26 174.94 2diu s THR 90 N 1.07 1.60 -0.85 1.83 -4.23 -1.26 -4.96 115.64 108.84 2diu s THR 90 Ca -0.06 -1.47 -0.23 0.00 -1.18 0.00 0.00 61.69 58.75 2diu s THR 90 Cb -0.06 -1.96 0.07 0.00 1.34 0.00 0.00 72.50 71.89 2diu s THR 90 CO -0.10 -0.27 1.22 -0.44 -0.54 0.00 0.00 174.62 174.50 2diu s SER 91 N 1.32 6.37 0.00 3.99 0.01 -1.26 -4.84 113.70 119.30 2diu s SER 91 Ca -0.01 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2diu s SER 91 Cb -0.19 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2diu s SER 91 CO -0.09 -1.47 0.00 0.61 0.41 0.00 0.00 173.24 172.70 2diu n GLY 92 N 5.86 0.73 3.75 3.44 0.00 -1.26 -5.10 105.19 112.61 2diu n GLY 92 Ca 0.15 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.00 4.41 -0.29 1.61 0.04 -1.26 -5.02 135.00 132.49 2diu s PRO 93 Ca 0.00 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 2diu s PRO 93 Cb 0.00 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.39 2diu s PRO 93 CO 0.00 -0.18 0.04 0.45 0.04 0.00 0.00 177.00 177.35 2diu s SER 94 N 0.04 4.93 -0.29 6.66 0.15 -1.26 -5.07 113.70 118.86 2diu s SER 94 Ca 0.54 -0.88 -0.29 0.00 0.70 0.00 0.00 55.95 56.02 2diu s SER 94 Cb -0.36 -1.81 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 2diu s SER 94 CO 0.41 -0.20 1.22 -0.44 1.20 0.00 0.00 173.24 175.43 2diu s SER 95 N 1.41 6.79 0.00 5.45 0.01 -1.26 -5.23 113.70 120.88 2diu s SER 95 Ca 0.00 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2diu s SER 95 Cb -0.18 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2diu s SER 95 CO 0.00 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.29