#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grg s LYS 2 N 0.00 3.09 -0.40 3.17 -0.14 -1.26 -4.95 119.74 119.25 2grg s LYS 2 Ca 0.00 0.56 0.00 0.00 -1.36 0.00 0.00 55.97 55.17 2grg s LYS 2 Cb 0.00 -4.22 0.11 0.00 -1.68 0.00 0.00 37.83 32.04 2grg s LYS 2 CO 0.00 -2.19 0.16 -1.12 -0.76 0.00 0.00 175.35 171.43 2grg s SER 3 N 5.71 5.00 -0.58 2.83 0.01 -1.26 -5.04 113.70 120.36 2grg s SER 3 Ca 0.59 -2.19 -0.20 0.00 1.31 0.00 0.00 55.95 55.46 2grg s SER 3 Cb -0.12 -1.74 0.08 0.00 0.21 0.00 0.00 66.02 64.45 2grg s SER 3 CO 0.24 -0.45 0.76 -0.44 0.41 0.00 0.00 173.24 173.76 2grg s SER 4 N 1.26 6.20 -0.15 2.44 0.01 -1.26 -4.46 113.70 117.74 2grg s SER 4 Ca 0.10 -1.12 -0.08 0.00 1.31 0.00 0.00 55.95 56.16 2grg s SER 4 Cb -0.21 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2grg s SER 4 CO -0.06 -1.14 0.14 -0.63 0.41 0.00 0.00 173.24 171.97 2grg s ILE 5 N 3.06 5.46 0.65 1.44 1.01 -1.04 -4.53 121.20 127.25 2grg s ILE 5 Ca 0.16 0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.85 2grg s ILE 5 Cb -0.20 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 2grg s ILE 5 CO 0.09 0.54 0.92 -0.81 0.00 0.00 0.00 174.94 175.68 2grg n PRO 6 N 2.66 0.71 0.15 2.79 -0.04 -1.26 -0.20 135.00 139.80 2grg n PRO 6 Ca -0.18 0.29 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 2grg n PRO 6 Cb 0.54 -2.15 0.30 0.00 -0.04 0.00 0.00 33.50 32.15 2grg n PRO 6 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2grg h ILE 7 N 0.17 1.29 -0.51 0.52 6.09 -1.92 -1.00 117.51 122.15 2grg h ILE 7 Ca -0.48 -1.38 0.13 0.00 -1.37 0.00 0.00 64.86 61.76 2grg h ILE 7 Cb 1.36 1.68 -0.02 0.00 0.47 0.00 0.00 36.82 40.31 2grg h ILE 7 CO 0.49 0.40 0.36 0.74 -3.07 0.00 0.00 178.15 177.07 2grg h THR 8 N 0.08 0.78 0.01 2.19 2.02 -1.93 0.19 112.91 116.26 2grg h THR 8 Ca 0.01 -0.03 -0.25 0.00 0.77 0.00 0.00 66.41 66.91 2grg h THR 8 Cb 0.72 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2grg h THR 8 CO 0.05 0.02 -1.36 -0.62 0.37 0.00 0.00 175.52 173.97 2grg n GLU 9 N -4.41 0.58 -0.02 6.66 -0.58 -0.72 -4.48 120.64 117.67 2grg n GLU 9 Ca 0.09 0.55 -0.07 0.00 -0.42 0.00 0.00 57.16 57.30 2grg n GLU 9 Cb 0.52 -1.74 0.10 0.00 -0.57 0.00 0.00 31.44 29.76 2grg n GLU 9 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2grg h VAL 10 N -0.93 1.30 0.23 2.62 2.07 -0.92 -2.66 116.25 117.96 2grg h VAL 10 Ca -0.37 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.60 2grg h VAL 10 Cb 1.37 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 2grg h VAL 10 CO -0.20 0.49 -0.47 0.25 0.02 0.00 0.00 177.57 177.66 2grg h LEU 11 N 0.49 -1.36 -1.08 2.57 5.85 -0.84 0.44 115.31 121.37 2grg h LEU 11 Ca 0.04 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 2grg h LEU 11 Cb 0.89 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2grg h LEU 11 CO 0.08 -0.53 -0.44 1.55 -0.34 0.00 0.00 178.44 178.75 2grg h PRO 12 N -0.75 0.03 -0.23 5.25 0.13 -1.78 -2.92 132.00 131.73 2grg h PRO 12 Ca -0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2grg h PRO 12 Cb 0.71 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2grg h PRO 12 CO -0.19 0.47 0.00 0.54 -0.23 0.00 0.00 178.00 178.59 2grg n ARG 13 N -4.01 1.47 -3.99 0.86 1.74 -0.97 -4.85 116.66 106.92 2grg n ARG 13 Ca -0.02 -0.70 -0.28 0.00 -0.77 0.00 0.00 57.85 56.08 2grg n ARG 13 Cb 0.47 -1.18 -0.04 0.00 -1.02 0.00 0.00 32.46 30.69 2grg n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2grg s ALA 14 N -1.73 3.82 -0.02 7.54 0.00 0.11 -4.13 121.76 127.35 2grg s ALA 14 Ca 0.13 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2grg s ALA 14 Cb 0.07 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2grg s ALA 14 CO 0.09 0.65 0.57 1.33 0.00 0.00 0.00 175.76 178.39 2grg n VAL 15 N -0.10 0.13 -3.61 0.00 0.24 0.11 -4.95 118.33 110.14 2grg n VAL 15 Ca -0.07 -0.56 -0.07 0.00 -2.04 0.00 0.00 64.34 61.59 2grg n VAL 15 Cb 0.53 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 2grg n VAL 15 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2grg s GLY 16 N -0.14 -0.37 -0.10 7.63 0.00 -0.95 -1.58 107.32 111.80 2grg s GLY 16 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 44.72 44.97 2grg s GLY 16 CO 0.00 0.14 0.51 -1.35 0.00 0.00 0.00 173.10 172.40 2grg s SER 17 N -2.74 -0.47 -0.22 1.64 1.04 0.65 0.27 113.70 113.87 2grg s SER 17 Ca 0.07 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2grg s SER 17 Cb -0.02 0.71 0.03 0.00 0.10 0.00 0.00 66.02 66.84 2grg s SER 17 CO -0.04 -0.38 -0.13 -0.76 0.98 0.00 0.00 173.24 172.91 2grg s LEU 18 N -0.59 2.75 -0.45 2.42 1.43 0.93 -1.09 118.68 124.07 2grg s LEU 18 Ca -0.07 -0.85 -0.20 0.00 -1.03 0.00 0.00 54.13 51.98 2grg s LEU 18 Cb -0.03 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.66 2grg s LEU 18 CO 0.04 -0.08 0.59 -0.89 0.23 0.00 0.00 176.35 176.25 2grg s THR 19 N 1.27 4.89 0.24 5.49 2.01 0.57 -0.15 115.64 129.96 2grg s THR 19 Ca 0.01 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 61.92 2grg s THR 19 Cb -0.16 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 2grg s THR 19 CO -0.08 -0.62 0.31 -0.36 -0.69 0.00 0.00 174.62 173.18 2grg s PHE 20 N 2.63 3.34 0.57 4.92 0.40 0.16 0.57 117.98 130.58 2grg s PHE 20 Ca 0.18 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.48 2grg s PHE 20 Cb -0.16 -1.52 0.05 0.00 0.51 0.00 0.00 43.02 41.90 2grg s PHE 20 CO 0.16 0.47 0.80 0.34 0.70 0.00 0.00 175.22 177.69 2grg s ASP 21 N -3.93 5.14 0.43 1.36 2.15 0.51 -0.86 116.67 121.48 2grg s ASP 21 Ca 0.34 -0.10 0.30 0.00 0.43 0.00 0.00 52.55 53.51 2grg s ASP 21 Cb -0.09 -0.70 1.31 0.00 -0.30 0.00 0.00 42.92 43.15 2grg s ASP 21 CO 0.28 -1.25 1.89 1.05 -0.17 0.00 0.00 175.17 176.97 2grg h GLU 22 N -0.00 0.00 -0.17 4.34 4.11 -1.83 0.24 114.58 121.26 2grg h GLU 22 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2grg h GLU 22 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2grg h GLU 22 CO 0.50 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.67 2grg n ASN 23 N -2.70 1.03 -1.75 3.06 5.03 -1.26 -4.90 115.26 113.78 2grg n ASN 23 Ca 0.01 -1.89 -0.16 0.00 0.87 0.00 0.00 54.58 53.41 2grg n ASN 23 Cb 0.23 -0.11 -0.02 0.00 -1.02 0.00 0.00 39.78 38.86 2grg n ASN 23 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2grg n TYR 24 N 0.02 -0.65 -3.91 3.10 4.01 0.83 -5.00 117.16 115.56 2grg n TYR 24 Ca 0.09 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.46 2grg n TYR 24 Cb 0.18 -3.22 -0.06 0.00 -0.31 0.00 0.00 39.34 35.93 2grg n TYR 24 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2grg s ASN 25 N -2.36 6.30 -0.18 7.72 0.01 -1.25 -4.80 114.94 120.39 2grg s ASN 25 Ca 0.00 0.43 -0.29 0.00 -0.71 0.00 0.00 52.86 52.29 2grg s ASN 25 Cb 0.00 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.60 2grg s ASN 25 CO 0.00 0.40 1.47 -0.22 -1.51 0.00 0.00 177.10 177.24 2grg s LEU 26 N -0.95 4.08 -0.22 0.60 0.20 -1.26 -0.36 118.68 120.77 2grg s LEU 26 Ca 0.14 1.72 -0.16 0.00 0.69 0.00 0.00 54.13 56.53 2grg s LEU 26 Cb -0.12 -3.54 -0.10 0.00 -0.43 0.00 0.00 46.19 42.00 2grg s LEU 26 CO 0.04 -1.01 -0.24 0.18 -0.29 0.00 0.00 176.35 175.03 2grg n LEU 27 N 7.47 1.92 -4.07 -0.68 4.77 0.19 -4.95 117.00 121.65 2grg n LEU 27 Ca 0.16 0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 56.33 2grg n LEU 27 Cb 0.45 -0.83 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 2grg n LEU 27 CO 0.61 0.16 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.76 2grg s ASP 28 N -6.73 1.33 -0.19 -1.43 2.15 -0.72 -4.99 116.67 106.10 2grg s ASP 28 Ca -0.32 -0.27 0.01 0.00 0.43 0.00 0.00 52.55 52.41 2grg s ASP 28 Cb 0.09 -0.13 0.04 0.00 -0.30 0.00 0.00 42.92 42.62 2grg s ASP 28 CO 0.46 0.10 -0.13 -0.89 -0.17 0.00 0.00 175.17 174.54 2grg s THR 29 N -0.43 1.72 0.07 1.71 2.01 -1.26 -0.31 115.64 119.14 2grg s THR 29 Ca 0.03 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.13 2grg s THR 29 Cb -0.05 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 2grg s THR 29 CO -0.00 0.28 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.65 2grg s SER 30 N 1.38 1.44 0.24 3.53 0.01 -0.25 -4.80 113.70 115.25 2grg s SER 30 Ca 0.01 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2grg s SER 30 Cb -0.15 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2grg s SER 30 CO -0.09 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2grg n GLY 31 N 1.21 -0.12 0.23 3.44 0.00 -1.26 -0.25 105.19 108.44 2grg n GLY 31 Ca -0.21 -1.01 0.16 0.00 0.00 0.00 0.00 46.02 44.96 2grg n GLY 31 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2grg h VAL 32 N 0.00 0.00 0.00 1.61 2.07 -1.63 -2.48 116.25 115.81 2grg h VAL 32 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2grg h VAL 32 Cb 0.00 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2grg h VAL 32 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2grg n ALA 33 N -1.93 1.13 0.09 1.67 0.00 -1.20 -1.16 120.51 119.11 2grg n ALA 33 Ca -0.00 0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.52 2grg n ALA 33 Cb 0.16 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.41 2grg n ALA 33 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2grg h LYS 34 N 0.00 0.14 0.00 0.00 1.57 -1.64 -3.26 116.57 113.38 2grg h LYS 34 Ca 0.00 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2grg h LYS 34 Cb 0.05 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2grg h LYS 34 CO 0.00 0.83 -1.75 1.33 -0.57 0.00 0.00 179.45 179.29 2grg n VAL 35 N -3.72 0.62 -2.38 0.50 0.24 -0.31 -4.90 118.33 108.39 2grg n VAL 35 Ca -0.02 -0.61 -0.41 0.00 -2.04 0.00 0.00 64.34 61.25 2grg n VAL 35 Cb 0.73 -0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 32.75 2grg n VAL 35 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2grg s ILE 36 N -3.18 3.47 0.59 1.34 1.01 -0.74 -5.01 121.20 118.69 2grg s ILE 36 Ca -0.06 1.31 -0.17 0.00 0.00 0.00 0.00 60.65 61.73 2grg s ILE 36 Cb 0.11 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2grg s ILE 36 CO 0.85 0.25 1.11 -1.83 0.00 0.00 0.00 174.94 175.32 2grg s GLU 37 N -0.70 3.13 -0.01 2.79 -1.05 -1.26 -4.89 118.70 116.70 2grg s GLU 37 Ca 0.50 1.48 -0.19 0.00 -0.15 0.00 0.00 54.97 56.61 2grg s GLU 37 Cb -0.33 -1.99 -0.33 0.00 -0.44 0.00 0.00 34.13 31.05 2grg s GLU 37 CO 0.39 -1.01 0.96 0.87 0.95 0.00 0.00 175.26 177.43 2grg h LYS 38 N 0.65 0.42 0.00 -4.83 6.56 -1.95 -3.50 116.57 113.93 2grg h LYS 38 Ca -0.48 -0.69 0.34 0.00 -1.06 0.00 0.00 60.65 58.75 2grg h LYS 38 Cb 1.25 0.25 -0.08 0.00 -0.57 0.00 0.00 32.23 33.08 2grg h LYS 38 CO 0.56 1.32 -0.45 0.43 -2.06 0.00 0.00 179.45 179.25 2grg n SER 39 N -3.95 -8.04 -1.84 0.86 7.64 -1.26 -3.47 113.62 103.55 2grg n SER 39 Ca -0.15 1.34 -0.04 0.00 1.01 0.00 0.00 58.87 61.04 2grg n SER 39 Cb 0.93 -3.77 -0.06 0.00 -1.01 0.00 0.00 64.21 60.31 2grg n SER 39 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2grg n PRO 40 N -3.90 1.08 -0.11 1.43 -0.04 -1.26 -4.45 135.00 127.75 2grg n PRO 40 Ca 0.01 -0.33 -0.02 0.00 -0.04 0.00 0.00 63.50 63.12 2grg n PRO 40 Cb 0.57 -1.45 0.23 0.00 -0.04 0.00 0.00 33.50 32.80 2grg n PRO 40 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2grg h ILE 41 N 1.68 1.21 -0.91 0.52 2.04 -1.91 -2.67 117.51 117.47 2grg h ILE 41 Ca 0.06 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.23 2grg h ILE 41 Cb 0.92 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 2grg h ILE 41 CO 0.13 0.28 0.58 0.00 0.00 0.00 0.00 178.15 179.14 2grg h ALA 42 N 1.41 1.23 -0.77 1.87 0.00 -1.87 0.48 119.26 121.60 2grg h ALA 42 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2grg h ALA 42 Cb 0.25 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2grg h ALA 42 CO -0.01 0.41 0.39 1.49 0.00 0.00 0.00 179.25 181.53 2grg h GLU 43 N 1.11 1.10 0.00 0.00 4.57 -1.85 -2.55 114.58 116.96 2grg h GLU 43 Ca 0.38 -0.14 -0.16 0.00 -1.18 0.00 0.00 59.36 58.25 2grg h GLU 43 Cb 0.07 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2grg h GLU 43 CO -0.14 0.83 -0.77 0.82 -1.18 0.00 0.00 179.01 178.57 2grg h ILE 44 N 1.09 1.41 -0.31 2.32 1.08 -0.86 -2.76 117.51 119.49 2grg h ILE 44 Ca 0.27 -2.77 -0.01 0.00 -0.39 0.00 0.00 64.86 61.97 2grg h ILE 44 Cb 0.09 2.55 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 2grg h ILE 44 CO -0.04 0.75 0.17 0.40 -0.69 0.00 0.00 178.15 178.74 2grg h ILE 45 N 0.00 1.13 -0.43 -0.67 2.04 0.26 0.28 117.51 120.12 2grg h ILE 45 Ca -0.01 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 65.35 2grg h ILE 45 Cb 1.49 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2grg h ILE 45 CO 0.10 0.14 -0.29 0.08 0.00 0.00 0.00 178.15 178.18 2grg h ARG 46 N 0.38 0.94 -0.28 2.37 0.11 -1.51 0.12 114.38 116.50 2grg h ARG 46 Ca 0.11 -0.44 -0.00 0.00 0.10 0.00 0.00 59.98 59.75 2grg h ARG 46 Cb 0.07 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 2grg h ARG 46 CO -0.02 1.10 0.17 0.87 0.10 0.00 0.00 179.97 182.19 2grg h LYS 47 N 0.79 0.38 0.00 0.08 1.57 -1.27 -1.71 116.57 116.42 2grg h LYS 47 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2grg h LYS 47 Cb 0.87 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2grg h LYS 47 CO 0.08 0.30 0.00 0.77 -0.57 0.00 0.00 179.45 180.03 2grg h SER 48 N 0.35 0.00 0.17 0.86 0.02 -0.28 -1.92 113.55 112.75 2grg h SER 48 Ca 0.10 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.94 2grg h SER 48 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2grg h SER 48 CO -0.02 0.00 -0.41 -1.13 -1.14 0.00 0.00 176.83 174.13 2grg h ASN 49 N 0.00 0.33 0.98 3.07 -1.24 0.14 0.16 115.58 119.03 2grg h ASN 49 Ca 0.00 -0.14 -0.14 0.00 0.71 0.00 0.00 56.30 56.72 2grg h ASN 49 Cb 0.48 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 2grg h ASN 49 CO 0.00 0.71 -0.69 0.00 -1.29 0.00 0.00 177.43 176.16 2grg h ALA 50 N 1.31 0.69 -0.14 1.57 0.00 -0.89 -3.27 119.26 118.53 2grg h ALA 50 Ca 0.02 -0.63 -0.21 0.00 0.00 0.00 0.00 54.91 54.10 2grg h ALA 50 Cb 0.84 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.53 2grg h ALA 50 CO 0.07 0.86 -0.73 0.93 0.00 0.00 0.00 179.25 180.37 2grg h GLU 51 N 0.00 0.75 -3.92 0.00 4.39 -0.82 -3.48 114.58 111.50 2grg h GLU 51 Ca -0.01 -0.62 -0.18 0.00 0.34 0.00 0.00 59.36 58.90 2grg h GLU 51 Cb 1.37 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 30.06 2grg h GLU 51 CO 0.09 1.23 -0.17 -0.48 -1.16 0.00 0.00 179.01 178.52 2grg s LEU 52 N -8.45 0.72 0.00 1.33 0.05 0.52 -5.05 118.68 107.80 2grg s LEU 52 Ca -0.11 -1.27 0.00 0.00 0.05 0.00 0.00 54.13 52.81 2grg s LEU 52 Cb 0.08 1.59 0.00 0.00 -2.05 0.00 0.00 46.19 45.81 2grg s LEU 52 CO 0.89 -1.24 0.00 0.61 -0.55 0.00 0.00 176.35 176.06 2grg n GLY 53 N -0.48 0.87 0.00 -3.48 0.00 -1.26 -4.40 105.19 96.44 2grg n GLY 53 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2grg n GLY 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2grg n ARG 54 N 0.00 1.62 -2.02 1.61 0.00 -1.26 -4.21 116.66 112.39 2grg n ARG 54 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 2grg n ARG 54 Cb 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 32.46 31.70 2grg n ARG 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2grg s LEU 55 N -3.57 2.65 -0.37 6.15 2.01 -1.26 -4.08 118.68 120.21 2grg s LEU 55 Ca 0.00 0.66 -0.03 0.00 0.01 0.00 0.00 54.13 54.78 2grg s LEU 55 Cb 0.00 -3.23 0.09 0.00 0.01 0.00 0.00 46.19 43.05 2grg s LEU 55 CO 0.00 -1.76 0.13 -0.83 1.01 0.00 0.00 176.35 174.90 2grg s GLY 56 N -4.54 1.91 0.12 -3.19 0.00 0.71 -4.50 107.32 97.82 2grg s GLY 56 Ca 0.61 -2.23 -0.30 0.00 0.00 0.00 0.00 44.72 42.80 2grg s GLY 56 CO 0.47 0.90 0.99 -0.47 0.00 0.00 0.00 173.10 175.00 2grg s TYR 57 N 1.19 3.76 -0.34 1.90 5.04 -1.16 -2.51 117.35 125.23 2grg s TYR 57 Ca 0.03 1.75 -0.28 0.00 -2.44 0.00 0.00 57.07 56.13 2grg s TYR 57 Cb -0.21 -3.11 -0.02 0.00 0.35 0.00 0.00 41.96 38.97 2grg s TYR 57 CO -0.03 0.01 1.82 -1.12 -1.34 0.00 0.00 175.55 174.89 2grg s SER 58 N 0.05 5.84 -0.14 4.32 0.01 -1.26 -0.39 113.70 122.14 2grg s SER 58 Ca 0.48 1.27 0.16 0.00 1.31 0.00 0.00 55.95 59.17 2grg s SER 58 Cb -0.24 -2.53 -0.24 0.00 0.21 0.00 0.00 66.02 63.22 2grg s SER 58 CO 0.31 -1.76 0.30 1.33 0.41 0.00 0.00 173.24 173.83 2grg n VAL 59 N 7.42 1.42 -3.55 3.43 0.24 0.79 -4.80 118.33 123.27 2grg n VAL 59 Ca 0.23 -0.82 -0.29 0.00 -2.04 0.00 0.00 64.34 61.42 2grg n VAL 59 Cb 0.47 -0.64 -0.15 0.00 -1.47 0.00 0.00 33.84 32.05 2grg n VAL 59 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2grg s TYR 60 N -2.57 0.39 -0.37 6.34 5.04 -1.12 -4.91 117.35 120.15 2grg s TYR 60 Ca -0.08 -0.92 -0.14 0.00 -2.44 0.00 0.00 57.07 53.50 2grg s TYR 60 Cb 0.07 -0.94 -0.00 0.00 0.35 0.00 0.00 41.96 41.44 2grg s TYR 60 CO 0.83 -0.83 0.27 -2.00 -1.34 0.00 0.00 175.55 172.49 2grg s GLU 61 N 2.08 3.28 0.38 4.97 2.12 -1.26 0.74 118.70 131.00 2grg s GLU 61 Ca 0.09 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.71 2grg s GLU 61 Cb -0.16 -3.88 -0.03 0.00 0.26 0.00 0.00 34.13 30.32 2grg s GLU 61 CO -0.36 -0.58 0.27 0.34 -0.54 0.00 0.00 175.26 174.39 2grg s ASP 62 N 1.71 4.92 0.56 -1.70 2.15 0.11 -5.00 116.67 119.41 2grg s ASP 62 Ca 0.06 -0.75 0.35 0.00 0.43 0.00 0.00 52.55 52.64 2grg s ASP 62 Cb -0.18 -0.68 1.48 0.00 -0.30 0.00 0.00 42.92 43.24 2grg s ASP 62 CO 0.10 -0.49 2.03 0.00 -0.17 0.00 0.00 175.17 176.64 2grg h ALA 63 N 1.26 1.00 0.00 3.66 0.00 -2.03 -3.28 119.26 119.88 2grg h ALA 63 Ca -0.43 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 2grg h ALA 63 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2grg h ALA 63 CO 0.61 0.00 -1.27 1.04 0.00 0.00 0.00 179.25 179.63 2grg n GLN 64 N -3.09 0.53 -4.27 0.00 6.02 -1.26 -5.02 117.38 110.29 2grg n GLN 64 Ca 0.00 0.38 -0.15 0.00 -0.01 0.00 0.00 57.00 57.23 2grg n GLN 64 Cb 0.28 -1.58 -0.10 0.00 1.02 0.00 0.00 30.24 29.86 2grg n GLN 64 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2grg s TYR 65 N -2.52 1.37 -0.09 1.08 2.02 -1.24 -3.93 117.35 114.05 2grg s TYR 65 Ca -0.27 -1.20 0.00 0.00 -0.37 0.00 0.00 57.07 55.23 2grg s TYR 65 Cb 0.06 -0.77 0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2grg s TYR 65 CO 0.42 -0.39 -0.07 0.42 -1.57 0.00 0.00 175.55 174.36 2grg s ILE 66 N -3.84 0.88 0.01 2.71 1.01 0.13 0.04 121.20 122.14 2grg s ILE 66 Ca 0.35 -0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.62 2grg s ILE 66 Cb 0.07 -0.89 -0.06 0.00 0.01 0.00 0.00 42.46 41.59 2grg s ILE 66 CO 0.11 0.33 0.40 -0.83 0.00 0.00 0.00 174.94 174.95 2grg s GLY 67 N 1.41 2.46 -0.07 6.18 0.00 0.23 -0.04 107.32 117.49 2grg s GLY 67 Ca -0.02 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.49 2grg s GLY 67 CO -0.04 0.10 -0.14 0.30 0.00 0.00 0.00 173.10 173.32 2grg s HIS 68 N -1.12 1.61 -0.16 1.90 0.09 0.47 -0.15 115.29 117.92 2grg s HIS 68 Ca 0.25 -0.60 -0.24 0.00 -0.00 0.00 0.00 55.06 54.47 2grg s HIS 68 Cb -0.16 -1.15 -0.02 0.00 -0.00 0.00 0.00 32.58 31.25 2grg s HIS 68 CO 0.14 -0.29 0.78 0.00 -0.00 0.00 0.00 174.74 175.36 2grg s ALA 69 N 0.60 3.50 -0.02 -1.40 0.00 0.48 -0.55 121.76 124.37 2grg s ALA 69 Ca -0.15 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 51.85 2grg s ALA 69 Cb -0.16 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2grg s ALA 69 CO 0.04 -0.57 -0.18 -0.06 0.00 0.00 0.00 175.76 174.99 2grg s PHE 70 N 1.96 2.59 -0.13 0.00 0.40 0.10 -2.99 117.98 119.91 2grg s PHE 70 Ca 0.36 -0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 56.18 2grg s PHE 70 Cb -0.17 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 2grg s PHE 70 CO 0.13 0.15 0.90 0.15 0.70 0.00 0.00 175.22 177.25 2grg s LYS 71 N -0.87 4.37 0.52 0.44 3.01 -1.26 -1.39 119.74 124.56 2grg s LYS 71 Ca 0.12 1.19 0.02 0.00 -1.01 0.00 0.00 55.97 56.28 2grg s LYS 71 Cb -0.10 -3.55 -0.00 0.00 -1.01 0.00 0.00 37.83 33.17 2grg s LYS 71 CO 0.01 -0.28 0.07 0.15 0.51 0.00 0.00 175.35 175.81 2grg s LYS 72 N 1.95 2.21 -0.64 1.68 -0.14 0.25 -4.86 119.74 120.18 2grg s LYS 72 Ca 0.43 -2.35 -0.26 0.00 -1.36 0.00 0.00 55.97 52.43 2grg s LYS 72 Cb -0.18 -1.62 -0.04 0.00 -1.68 0.00 0.00 37.83 34.31 2grg s LYS 72 CO 0.16 -0.42 2.00 0.00 -0.76 0.00 0.00 175.35 176.33 2grg s ALA 73 N -2.87 1.92 -0.53 5.17 0.00 -1.26 -2.59 121.76 121.60 2grg s ALA 73 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2grg s ALA 73 Cb 0.01 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2grg s ALA 73 CO 0.05 -4.25 0.00 0.41 0.00 0.00 0.00 175.76 171.97 2grg n GLY 74 N 5.99 0.66 3.30 0.00 0.00 -1.26 -4.95 105.19 108.93 2grg n GLY 74 Ca 0.28 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2grg n GLY 74 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2grg s HIS 75 N -1.82 1.04 -0.11 1.61 4.02 -1.07 -2.79 115.29 116.17 2grg s HIS 75 Ca 0.00 -1.27 -0.02 0.00 1.02 0.00 0.00 55.06 54.79 2grg s HIS 75 Cb 0.00 -0.40 0.04 0.00 -1.02 0.00 0.00 32.58 31.20 2grg s HIS 75 CO 0.00 -0.75 0.03 -0.06 1.02 0.00 0.00 174.74 174.98 2grg s PHE 76 N -4.03 0.59 -0.09 1.40 0.08 -0.04 -0.58 117.98 115.31 2grg s PHE 76 Ca 0.35 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 57.15 2grg s PHE 76 Cb 0.05 -0.79 -0.01 0.00 -0.57 0.00 0.00 43.02 41.69 2grg s PHE 76 CO 0.13 -0.40 -0.18 0.42 -0.10 0.00 0.00 175.22 175.10 2grg s ILE 77 N 2.00 2.68 -0.36 0.64 1.01 -0.49 0.37 121.20 127.05 2grg s ILE 77 Ca 0.03 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 2grg s ILE 77 Cb -0.14 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2grg s ILE 77 CO -0.06 0.55 0.19 -0.69 0.00 0.00 0.00 174.94 174.93 2grg s VAL 78 N 0.00 4.55 -0.19 2.92 1.01 0.78 0.02 120.40 129.50 2grg s VAL 78 Ca -0.06 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 2grg s VAL 78 Cb -0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2grg s VAL 78 CO 0.05 -0.16 0.51 -0.31 0.00 0.00 0.00 175.10 175.18 2grg s TYR 79 N 1.56 3.39 -0.33 5.22 1.51 0.28 -0.05 117.35 128.94 2grg s TYR 79 Ca 0.02 0.78 -0.14 0.00 -1.01 0.00 0.00 57.07 56.73 2grg s TYR 79 Cb -0.19 -2.65 -0.02 0.00 -0.11 0.00 0.00 41.96 39.00 2grg s TYR 79 CO 0.06 -0.06 0.33 -0.06 -1.11 0.00 0.00 175.55 174.72 2grg s PHE 80 N 1.46 3.22 -0.01 2.71 0.40 0.14 -0.40 117.98 125.51 2grg s PHE 80 Ca 0.24 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.59 2grg s PHE 80 Cb -0.15 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 2grg s PHE 80 CO 0.10 -0.37 0.03 0.95 0.70 0.00 0.00 175.22 176.63 2grg s THR 81 N 1.95 4.41 -0.81 0.64 -4.23 0.95 0.04 115.64 118.60 2grg s THR 81 Ca 0.11 -0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 60.02 2grg s THR 81 Cb -0.17 -2.98 -0.09 0.00 1.34 0.00 0.00 72.50 70.61 2grg s THR 81 CO 0.11 0.39 1.98 -0.81 -0.54 0.00 0.00 174.62 175.75 2grg n PRO 82 N 1.40 1.74 -2.41 3.99 -0.04 -1.26 0.22 135.00 138.64 2grg n PRO 82 Ca -0.14 -1.54 -0.10 0.00 -0.04 0.00 0.00 63.50 61.67 2grg n PRO 82 Cb 0.53 -2.60 -0.01 0.00 -0.04 0.00 0.00 33.50 31.39 2grg n PRO 82 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2grg n LYS 83 N 5.30 -2.30 -1.23 0.54 5.02 -1.25 -4.83 118.16 119.40 2grg n LYS 83 Ca 0.44 0.51 -0.20 0.00 -2.02 0.00 0.00 58.31 57.04 2grg n LYS 83 Cb 0.23 -5.08 -0.09 0.00 -0.02 0.00 0.00 35.03 30.06 2grg n LYS 83 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2grg n ASN 84 N -1.70 5.97 -0.00 4.39 0.23 -1.26 -4.48 115.26 118.40 2grg n ASN 84 Ca -0.12 -2.89 -0.04 0.00 -0.53 0.00 0.00 54.58 51.00 2grg n ASN 84 Cb 0.59 -1.29 0.20 0.00 -2.08 0.00 0.00 39.78 37.20 2grg n ASN 84 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2grg h LYS 85 N 2.82 0.53 -2.95 -3.83 3.64 -1.94 -3.43 116.57 111.41 2grg h LYS 85 Ca 0.30 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.33 2grg h LYS 85 Cb 1.04 -0.04 -0.26 0.00 -0.41 0.00 0.00 32.23 32.56 2grg h LYS 85 CO 0.59 0.71 -0.38 1.21 -2.27 0.00 0.00 179.45 179.31 2grg s ASN 86 N -6.79 -0.33 0.04 4.20 3.84 -1.26 -4.90 114.94 109.73 2grg s ASN 86 Ca -0.07 0.63 0.00 0.00 0.21 0.00 0.00 52.86 53.63 2grg s ASN 86 Cb 0.14 0.59 0.00 0.00 -0.55 0.00 0.00 41.25 41.43 2grg s ASN 86 CO 0.79 -0.13 0.00 0.54 -2.79 0.00 0.00 177.10 175.51 2grg n ARG 87 N 3.45 0.00 0.00 0.43 1.74 -1.26 -5.13 116.66 115.89 2grg n ARG 87 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2grg n ARG 87 Cb 0.56 -0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 2grg n ARG 87 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2grg n GLU 88 N -2.68 0.39 -0.75 5.56 0.00 -1.26 -4.99 120.64 116.91 2grg n GLU 88 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 2grg n GLU 88 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.32 2grg n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2grg n GLY 89 N 0.59 2.52 0.81 8.31 0.00 -1.26 -3.93 105.19 112.22 2grg n GLY 89 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.19 2grg n GLY 89 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2grg n VAL 90 N 2.67 2.26 -2.30 1.61 0.24 -1.26 -5.00 118.33 116.56 2grg n VAL 90 Ca 0.33 -2.01 -0.28 0.00 -2.04 0.00 0.00 64.34 60.34 2grg n VAL 90 Cb 0.67 -0.26 0.03 0.00 -1.47 0.00 0.00 33.84 32.80 2grg n VAL 90 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2grg s VAL 91 N -2.88 3.99 -0.44 3.34 -7.23 -1.25 -4.96 120.40 110.97 2grg s VAL 91 Ca 0.41 0.22 -0.44 0.00 -1.81 0.00 0.00 61.98 60.37 2grg s VAL 91 Cb 0.34 -3.58 -0.18 0.00 0.56 0.00 0.00 36.38 33.51 2grg s VAL 91 CO 0.07 -0.65 1.82 -0.81 -0.31 0.00 0.00 175.10 175.23 2grg n PRO 92 N -2.61 0.34 -1.92 4.82 -0.04 -1.26 -4.83 135.00 129.49 2grg n PRO 92 Ca 0.04 0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.19 2grg n PRO 92 Cb 0.57 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 2grg n PRO 92 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2grg s PRO 93 N 4.19 3.21 -0.05 0.54 0.02 -1.26 -4.94 135.00 136.72 2grg s PRO 93 Ca 1.08 1.48 -0.30 0.00 0.02 0.00 0.00 61.00 63.28 2grg s PRO 93 Cb -1.35 -4.25 -0.05 0.00 0.02 0.00 0.00 34.50 28.86 2grg s PRO 93 CO 0.72 -2.00 1.55 0.54 -0.33 0.00 0.00 177.00 177.48 2grg s VAL 94 N 7.45 3.64 0.00 3.83 0.11 -1.26 -4.47 120.40 129.70 2grg s VAL 94 Ca 0.83 0.87 0.00 0.00 -2.93 0.00 0.00 61.98 60.75 2grg s VAL 94 Cb -0.23 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 2grg s VAL 94 CO 0.33 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 2grg n GLY 95 N 3.96 -1.83 3.50 6.54 0.00 -1.26 -5.07 105.19 111.02 2grg n GLY 95 Ca 0.16 0.67 -0.43 0.00 0.00 0.00 0.00 46.02 46.42 2grg n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2grg s ILE 96 N 0.00 4.75 -0.04 -0.61 -1.09 -1.26 -4.71 121.20 118.25 2grg s ILE 96 Ca 0.00 -0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.34 2grg s ILE 96 Cb 0.00 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 2grg s ILE 96 CO 0.00 -0.77 0.06 0.41 -1.23 0.00 0.00 174.94 173.41 2grg n THR 97 N 5.85 -9.50 -0.19 2.92 -1.04 -1.26 -5.05 114.28 106.00 2grg n THR 97 Ca -0.02 1.99 0.00 0.00 -2.04 0.00 0.00 64.05 63.97 2grg n THR 97 Cb 0.47 -5.21 0.00 0.00 -1.82 0.00 0.00 70.33 63.77 2grg n THR 97 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97