#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grg n LYS 2 N 0.00 0.29 -2.32 2.12 4.76 -1.26 -4.86 118.16 116.90 2grg n LYS 2 Ca 0.00 0.12 -0.35 0.00 -2.87 0.00 0.00 58.31 55.21 2grg n LYS 2 Cb 0.00 -1.02 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 2grg n LYS 2 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2grg s SER 3 N -5.96 5.90 -0.27 4.39 1.04 -1.26 -4.69 113.70 112.85 2grg s SER 3 Ca -0.16 -1.78 0.01 0.00 0.48 0.00 0.00 55.95 54.50 2grg s SER 3 Cb 0.02 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.64 2grg s SER 3 CO 0.24 -2.13 -0.01 -0.44 0.98 0.00 0.00 173.24 171.88 2grg s SER 4 N 5.68 4.13 -0.06 7.02 0.01 -1.26 -4.89 113.70 124.32 2grg s SER 4 Ca 0.60 -1.48 -0.18 0.00 1.31 0.00 0.00 55.95 56.20 2grg s SER 4 Cb 0.00 -1.26 -0.05 0.00 0.21 0.00 0.00 66.02 64.92 2grg s SER 4 CO 0.06 -0.29 0.49 -0.63 0.41 0.00 0.00 173.24 173.28 2grg s ILE 5 N 1.30 5.08 0.67 1.44 1.01 -1.26 -4.70 121.20 124.75 2grg s ILE 5 Ca -0.00 0.99 -0.15 0.00 0.00 0.00 0.00 60.65 61.49 2grg s ILE 5 Cb -0.19 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.47 2grg s ILE 5 CO -0.09 0.40 1.14 -2.16 0.00 0.00 0.00 174.94 174.23 2grg s PRO 6 N 0.05 2.63 0.46 2.79 0.04 -1.26 -0.43 135.00 139.28 2grg s PRO 6 Ca 0.26 1.50 0.16 0.00 0.04 0.00 0.00 61.00 62.96 2grg s PRO 6 Cb -0.16 -1.92 1.06 0.00 0.04 0.00 0.00 34.50 33.52 2grg s PRO 6 CO 0.12 -1.40 2.01 0.97 0.04 0.00 0.00 177.00 178.75 2grg h ILE 7 N -0.02 1.08 -0.09 0.56 6.09 -1.91 -1.79 117.51 121.43 2grg h ILE 7 Ca -0.47 -0.56 0.03 0.00 -1.37 0.00 0.00 64.86 62.48 2grg h ILE 7 Cb 1.26 1.31 -0.00 0.00 0.47 0.00 0.00 36.82 39.85 2grg h ILE 7 CO 0.53 0.16 0.14 0.00 -3.07 0.00 0.00 178.15 175.91 2grg h THR 8 N 0.00 0.33 0.00 2.19 1.03 -1.92 0.20 112.91 114.75 2grg h THR 8 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 66.41 65.98 2grg h THR 8 Cb 0.29 0.88 -0.07 0.00 -1.07 0.00 0.00 68.15 68.18 2grg h THR 8 CO 0.02 0.00 -2.46 -0.62 -0.01 0.00 0.00 175.52 172.45 2grg n GLU 9 N -3.55 0.63 0.05 0.00 -0.58 -0.71 -4.56 120.64 111.92 2grg n GLU 9 Ca -0.01 0.20 -0.07 0.00 -0.42 0.00 0.00 57.16 56.87 2grg n GLU 9 Cb 0.24 -1.52 0.11 0.00 -0.57 0.00 0.00 31.44 29.69 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 -0.38 1.34 0.29 2.62 2.07 -1.04 -2.89 116.25 118.27 2grg h VAL 10 Ca -0.62 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.08 2grg h VAL 10 Cb 1.79 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.38 2grg h VAL 10 CO -0.21 0.55 -0.40 0.25 0.02 0.00 0.00 177.57 177.79 2grg h LEU 11 N 0.30 -1.12 -1.35 2.57 5.85 -0.85 0.16 115.31 120.87 2grg h LEU 11 Ca 0.01 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2grg h LEU 11 Cb 1.05 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2grg h LEU 11 CO 0.09 -0.49 -0.22 1.55 -0.34 0.00 0.00 178.44 179.04 2grg h PRO 12 N -0.72 0.16 -0.08 5.25 0.13 -1.80 -2.39 132.00 132.55 2grg h PRO 12 Ca -0.04 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2grg h PRO 12 Cb 0.65 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2grg h PRO 12 CO -0.10 0.38 0.00 0.54 -0.23 0.00 0.00 178.00 178.58 2grg n ARG 13 N -4.22 1.41 -3.22 0.86 1.74 -1.05 -4.85 116.66 107.33 2grg n ARG 13 Ca -0.01 -0.61 -0.33 0.00 -0.77 0.00 0.00 57.85 56.13 2grg n ARG 13 Cb 0.32 -1.37 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.90 3.41 -0.48 7.54 0.00 0.55 -4.33 121.76 126.54 2grg s ALA 14 Ca 0.32 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.28 2grg s ALA 14 Cb 0.16 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.64 2grg s ALA 14 CO 0.26 0.38 0.61 1.33 0.00 0.00 0.00 175.76 178.35 2grg n VAL 15 N -0.14 0.00 -3.54 0.00 0.24 0.13 -4.96 118.33 110.06 2grg n VAL 15 Ca 0.02 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 2grg n VAL 15 Cb 0.53 1.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.96 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 -0.35 -0.46 -0.19 7.63 0.00 -0.89 -0.69 107.32 112.38 2grg s GLY 16 Ca 0.04 0.52 -0.16 0.00 0.00 0.00 0.00 44.72 45.13 2grg s GLY 16 CO 0.05 0.17 0.50 -1.35 0.00 0.00 0.00 173.10 172.47 2grg s SER 17 N -2.70 -0.56 -0.25 1.64 1.04 0.74 0.15 113.70 113.75 2grg s SER 17 Ca 0.05 1.04 -0.03 0.00 0.48 0.00 0.00 55.95 57.48 2grg s SER 17 Cb -0.02 1.01 0.02 0.00 0.10 0.00 0.00 66.02 67.13 2grg s SER 17 CO -0.07 -0.18 -0.03 -0.76 0.98 0.00 0.00 173.24 173.18 2grg s LEU 18 N 0.62 3.28 -0.41 2.42 1.43 0.81 -1.04 118.68 125.80 2grg s LEU 18 Ca -0.03 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.14 2grg s LEU 18 Cb -0.05 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.47 2grg s LEU 18 CO -0.04 -0.12 0.45 -0.89 0.23 0.00 0.00 176.35 175.98 2grg s THR 19 N 1.39 5.07 0.24 5.49 2.01 0.79 -0.13 115.64 130.50 2grg s THR 19 Ca 0.02 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 61.86 2grg s THR 19 Cb -0.16 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 2grg s THR 19 CO -0.03 -0.39 0.23 -0.36 -0.69 0.00 0.00 174.62 173.39 2grg s PHE 20 N 2.20 3.20 0.53 4.92 0.40 0.15 0.60 117.98 129.98 2grg s PHE 20 Ca 0.13 -0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 2grg s PHE 20 Cb -0.17 -1.45 0.10 0.00 0.51 0.00 0.00 43.02 42.01 2grg s PHE 20 CO 0.14 0.50 0.73 -0.40 0.70 0.00 0.00 175.22 176.89 2grg n ASP 21 N -1.16 1.41 0.26 1.36 5.75 -0.13 -1.43 116.55 122.61 2grg n ASP 21 Ca -0.08 -2.09 0.17 0.00 -0.01 0.00 0.00 54.79 52.78 2grg n ASP 21 Cb 0.57 -0.43 0.81 0.00 -1.03 0.00 0.00 41.12 41.04 2grg n ASP 21 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2grg h GLU 22 N 0.00 0.00 -0.63 0.11 4.11 -1.89 0.14 114.58 116.43 2grg h GLU 22 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 2grg h GLU 22 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2grg h GLU 22 CO 0.30 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.47 2grg n ASN 23 N -2.85 3.35 -2.15 3.06 3.02 -1.26 -4.94 115.26 113.49 2grg n ASN 23 Ca -0.00 -2.01 -0.15 0.00 -0.03 0.00 0.00 54.58 52.38 2grg n ASN 23 Cb 0.19 -0.42 0.03 0.00 -0.61 0.00 0.00 39.78 38.97 2grg n ASN 23 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2grg n TYR 24 N 1.32 -1.36 -4.09 3.10 4.01 0.04 -5.02 117.16 115.15 2grg n TYR 24 Ca 0.21 0.36 -0.34 0.00 -0.16 0.00 0.00 57.90 57.97 2grg n TYR 24 Cb 0.53 -3.42 -0.07 0.00 -0.31 0.00 0.00 39.34 36.07 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 -2.80 5.81 -0.09 7.72 0.01 -1.26 -4.83 114.94 119.50 2grg s ASN 25 Ca 0.21 0.24 -0.30 0.00 -0.71 0.00 0.00 52.86 52.30 2grg s ASN 25 Cb -0.09 -1.73 -0.04 0.00 0.41 0.00 0.00 41.25 39.80 2grg s ASN 25 CO 0.26 0.32 1.45 -0.22 -1.51 0.00 0.00 177.10 177.40 2grg s LEU 26 N -1.43 4.26 -0.22 0.60 2.96 -1.26 -0.96 118.68 122.64 2grg s LEU 26 Ca 0.20 1.98 -0.16 0.00 -0.22 0.00 0.00 54.13 55.93 2grg s LEU 26 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 2grg s LEU 26 CO 0.10 -0.83 -0.34 0.18 -1.32 0.00 0.00 176.35 174.14 2grg n LEU 27 N 6.67 1.94 -3.99 -0.68 4.77 0.20 -4.96 117.00 120.96 2grg n LEU 27 Ca 0.15 0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 56.26 2grg n LEU 27 Cb 0.44 -0.78 -0.16 0.00 -2.33 0.00 0.00 43.42 40.59 2grg n LEU 27 CO 0.59 0.10 -0.44 -0.62 -1.33 0.00 0.00 177.39 175.69 2grg s ASP 28 N -6.60 1.29 -0.23 -1.43 2.15 -0.85 -4.99 116.67 106.00 2grg s ASP 28 Ca -0.33 -0.20 -0.01 0.00 0.43 0.00 0.00 52.55 52.44 2grg s ASP 28 Cb 0.09 -0.46 0.02 0.00 -0.30 0.00 0.00 42.92 42.27 2grg s ASP 28 CO 0.45 0.04 -0.09 -0.89 -0.17 0.00 0.00 175.17 174.51 2grg s THR 29 N 0.43 2.75 0.09 1.71 2.01 -1.26 -0.15 115.64 121.21 2grg s THR 29 Ca -0.07 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.00 2grg s THR 29 Cb -0.11 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2grg s THR 29 CO 0.01 0.29 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.71 2grg s SER 30 N 1.33 1.25 0.29 3.53 0.01 -0.21 -4.79 113.70 115.10 2grg s SER 30 Ca 0.02 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2grg s SER 30 Cb -0.16 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2grg s SER 30 CO -0.06 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2grg n GLY 31 N 0.58 -0.06 0.27 3.44 0.00 -1.26 -0.19 105.19 107.97 2grg n GLY 31 Ca -0.16 -0.99 0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.24 -1.81 116.25 116.88 2grg h VAL 32 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2grg h VAL 32 Cb 0.00 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2grg h VAL 32 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2grg h ALA 33 N 2.03 1.00 0.00 1.67 0.00 -1.80 0.12 119.26 122.28 2grg h ALA 33 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2grg h ALA 33 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2grg h ALA 33 CO 0.00 0.00 -0.51 0.87 0.00 0.00 0.00 179.25 179.61 2grg h LYS 34 N 0.00 0.00 0.00 0.00 1.57 -1.50 -3.28 116.57 113.37 2grg h LYS 34 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2grg h LYS 34 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2grg h LYS 34 CO 0.00 0.51 -1.14 1.33 -0.57 0.00 0.00 179.45 179.59 2grg n VAL 35 N -3.32 0.00 -2.81 0.50 0.24 -0.06 -4.92 118.33 107.95 2grg n VAL 35 Ca 0.01 -0.20 -0.38 0.00 -2.04 0.00 0.00 64.34 61.73 2grg n VAL 35 Cb 0.69 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.69 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 -2.80 4.22 0.70 1.34 1.01 -0.64 -5.03 121.20 120.00 2grg s ILE 36 Ca 0.02 1.82 -0.16 0.00 0.00 0.00 0.00 60.65 62.33 2grg s ILE 36 Cb 0.12 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.55 2grg s ILE 36 CO 0.70 0.23 1.21 -1.83 0.00 0.00 0.00 174.94 175.26 2grg s GLU 37 N -1.84 2.32 -1.10 2.79 -1.05 -1.26 -4.91 118.70 113.64 2grg s GLU 37 Ca 0.47 1.78 -0.14 0.00 -0.15 0.00 0.00 54.97 56.93 2grg s GLU 37 Cb -0.20 -1.85 0.19 0.00 -0.44 0.00 0.00 34.13 31.83 2grg s GLU 37 CO 0.25 -1.70 1.26 0.15 0.95 0.00 0.00 175.26 176.16 2grg s LYS 38 N -3.79 3.98 0.99 -4.83 3.01 -1.26 -5.02 119.74 112.81 2grg s LYS 38 Ca 0.75 -2.55 -0.14 0.00 -1.01 0.00 0.00 55.97 53.03 2grg s LYS 38 Cb -0.30 -4.88 0.18 0.00 -1.01 0.00 0.00 37.83 31.83 2grg s LYS 38 CO 0.43 -1.62 1.14 -1.12 0.51 0.00 0.00 175.35 174.68 2grg s SER 39 N 2.62 2.80 -0.43 2.83 0.01 -1.26 -4.87 113.70 115.40 2grg s SER 39 Ca 0.36 0.91 -0.04 0.00 1.31 0.00 0.00 55.95 58.50 2grg s SER 39 Cb -0.05 -1.42 -0.07 0.00 0.21 0.00 0.00 66.02 64.69 2grg s SER 39 CO -0.04 -2.99 1.88 -0.81 0.41 0.00 0.00 173.24 171.69 2grg n PRO 40 N -4.04 1.34 0.17 12.44 -0.04 -1.26 -4.53 135.00 139.08 2grg n PRO 40 Ca 0.08 -0.93 0.03 0.00 -0.04 0.00 0.00 63.50 62.64 2grg n PRO 40 Cb 0.59 -2.10 0.39 0.00 -0.04 0.00 0.00 33.50 32.34 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 3.15 1.21 -0.66 0.52 2.04 -1.95 -2.35 117.51 119.48 2grg h ILE 41 Ca 0.27 -1.00 0.12 0.00 1.00 0.00 0.00 64.86 65.24 2grg h ILE 41 Cb 0.35 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2grg h ILE 41 CO 0.96 0.29 0.44 0.00 0.00 0.00 0.00 178.15 179.84 2grg h ALA 42 N 1.67 2.05 -0.47 1.87 0.00 -1.90 0.42 119.26 122.90 2grg h ALA 42 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2grg h ALA 42 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2grg h ALA 42 CO 0.04 -0.21 -0.07 1.49 0.00 0.00 0.00 179.25 180.50 2grg h GLU 43 N 0.41 0.83 0.00 0.00 4.57 -1.81 -2.03 114.58 116.56 2grg h GLU 43 Ca 0.31 -0.26 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 2grg h GLU 43 Cb 0.66 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 2grg h GLU 43 CO -0.09 0.88 -0.93 0.82 -1.18 0.00 0.00 179.01 178.50 2grg h ILE 44 N 0.76 1.17 -0.17 2.32 1.08 -0.89 -2.85 117.51 118.93 2grg h ILE 44 Ca 0.13 -2.74 -0.00 0.00 -0.39 0.00 0.00 64.86 61.87 2grg h ILE 44 Cb 0.56 2.55 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 2grg h ILE 44 CO 0.03 0.67 0.10 0.40 -0.69 0.00 0.00 178.15 178.65 2grg h ILE 45 N 0.00 1.09 -0.61 -0.67 2.04 -0.03 0.19 117.51 119.52 2grg h ILE 45 Ca -0.05 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 2grg h ILE 45 Cb 1.63 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 2grg h ILE 45 CO 0.09 0.08 0.11 0.08 0.00 0.00 0.00 178.15 178.52 2grg h ARG 46 N 0.18 1.00 -0.24 2.37 0.11 -1.43 0.16 114.38 116.53 2grg h ARG 46 Ca 0.06 -0.26 0.03 0.00 0.10 0.00 0.00 59.98 59.91 2grg h ARG 46 Cb 0.05 -0.12 -0.03 0.00 1.11 0.00 0.00 29.97 30.99 2grg h ARG 46 CO -0.01 0.93 0.08 0.87 0.10 0.00 0.00 179.97 181.94 2grg h LYS 47 N 0.91 0.18 0.00 0.08 1.57 -1.27 -1.70 116.57 116.33 2grg h LYS 47 Ca 0.19 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2grg h LYS 47 Cb 0.41 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2grg h LYS 47 CO 0.01 0.12 -0.06 0.77 -0.57 0.00 0.00 179.45 179.72 2grg h SER 48 N 0.19 0.00 0.01 0.86 0.02 -0.27 -1.56 113.55 112.79 2grg h SER 48 Ca 0.11 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 2grg h SER 48 Cb 0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2grg h SER 48 CO -0.12 0.06 -0.29 -1.13 -1.14 0.00 0.00 176.83 174.22 2grg h ASN 49 N 0.00 0.43 1.64 3.07 -1.24 0.24 -0.19 115.58 119.53 2grg h ASN 49 Ca -0.00 -0.15 -0.07 0.00 0.71 0.00 0.00 56.30 56.79 2grg h ASN 49 Cb 0.52 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 2grg h ASN 49 CO 0.01 0.71 -0.37 0.00 -1.29 0.00 0.00 177.43 176.49 2grg h ALA 50 N 1.32 0.79 -0.00 1.57 0.00 -0.93 -3.32 119.26 118.69 2grg h ALA 50 Ca 0.05 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.42 2grg h ALA 50 Cb 0.70 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2grg h ALA 50 CO 0.05 0.39 -0.99 0.93 0.00 0.00 0.00 179.25 179.63 2grg h GLU 51 N 0.00 0.56 0.00 0.00 4.39 -0.59 -3.49 114.58 115.44 2grg h GLU 51 Ca -0.01 -0.60 -0.11 0.00 0.34 0.00 0.00 59.36 58.98 2grg h GLU 51 Cb 1.24 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 30.03 2grg h GLU 51 CO 0.04 1.22 -0.07 1.47 -1.16 0.00 0.00 179.01 180.50 2grg n LEU 52 N -3.80 0.00 0.00 1.33 -0.00 -0.15 -4.95 117.00 109.43 2grg n LEU 52 Ca -0.09 -1.06 0.00 0.00 -0.00 0.00 0.00 56.01 54.87 2grg n LEU 52 Cb 0.86 0.87 0.00 0.00 -0.00 0.00 0.00 43.42 45.15 2grg n LEU 52 CO 0.54 -0.23 0.00 0.61 -0.00 0.00 0.00 177.39 178.31 2grg n GLY 53 N -0.21 0.51 0.90 1.47 0.00 -1.26 -4.65 105.19 101.95 2grg n GLY 53 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.30 2.16 -2.52 1.61 0.63 -1.26 -3.00 116.66 113.99 2grg n ARG 54 Ca 0.00 -1.77 -0.24 0.00 -0.92 0.00 0.00 57.85 54.92 2grg n ARG 54 Cb 0.00 -1.44 0.04 0.00 0.45 0.00 0.00 32.46 31.51 2grg n ARG 54 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2grg s LEU 55 N -1.38 3.20 -0.42 6.15 2.01 -1.26 -3.42 118.68 123.56 2grg s LEU 55 Ca 0.35 0.36 -0.03 0.00 0.01 0.00 0.00 54.13 54.82 2grg s LEU 55 Cb 0.20 -3.16 0.11 0.00 0.01 0.00 0.00 46.19 43.35 2grg s LEU 55 CO 0.28 -1.17 0.22 -0.83 1.01 0.00 0.00 176.35 175.86 2grg s GLY 56 N -4.38 2.02 0.15 -3.19 0.00 0.43 -4.37 107.32 97.98 2grg s GLY 56 Ca 0.56 -2.58 -0.30 0.00 0.00 0.00 0.00 44.72 42.40 2grg s GLY 56 CO 0.42 1.03 1.00 -0.47 0.00 0.00 0.00 173.10 175.09 2grg s TYR 57 N 1.08 3.77 -0.40 1.90 6.14 -1.19 -4.17 117.35 124.46 2grg s TYR 57 Ca 0.09 1.75 -0.28 0.00 0.64 0.00 0.00 57.07 59.27 2grg s TYR 57 Cb -0.23 -3.12 -0.01 0.00 0.42 0.00 0.00 41.96 39.03 2grg s TYR 57 CO -0.04 -0.02 1.65 -1.54 0.64 0.00 0.00 175.55 176.24 2grg s SER 58 N -0.21 5.98 -0.22 4.32 1.04 -1.26 -0.67 113.70 122.69 2grg s SER 58 Ca 0.47 0.98 0.06 0.00 0.48 0.00 0.00 55.95 57.93 2grg s SER 58 Cb -0.26 -2.53 -0.20 0.00 0.10 0.00 0.00 66.02 63.13 2grg s SER 58 CO 0.32 -1.69 -0.07 1.33 0.98 0.00 0.00 173.24 174.11 2grg n VAL 59 N 7.25 1.49 -3.93 5.02 0.24 0.11 -4.79 118.33 123.72 2grg n VAL 59 Ca 0.20 -0.66 -0.31 0.00 -2.04 0.00 0.00 64.34 61.53 2grg n VAL 59 Cb 0.48 -1.17 -0.15 0.00 -1.47 0.00 0.00 33.84 31.52 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 -2.52 3.08 -0.38 6.34 5.04 -1.16 -4.97 117.35 122.79 2grg s TYR 60 Ca -0.26 -2.55 -0.13 0.00 -2.44 0.00 0.00 57.07 51.69 2grg s TYR 60 Cb 0.08 -2.47 0.02 0.00 0.35 0.00 0.00 41.96 39.93 2grg s TYR 60 CO 0.68 -0.92 0.24 -2.00 -1.34 0.00 0.00 175.55 172.22 2grg s GLU 61 N 1.14 3.02 0.34 4.97 2.12 -1.26 0.44 118.70 129.47 2grg s GLU 61 Ca 0.09 -0.97 0.09 0.00 0.36 0.00 0.00 54.97 54.55 2grg s GLU 61 Cb -0.18 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.32 2grg s GLU 61 CO -0.13 -0.66 0.01 0.34 -0.54 0.00 0.00 175.26 174.28 2grg s ASP 62 N 1.63 4.18 0.27 -1.70 -1.08 0.09 -5.01 116.67 115.06 2grg s ASP 62 Ca 0.04 -0.98 0.24 0.00 -0.52 0.00 0.00 52.55 51.34 2grg s ASP 62 Cb -0.19 -0.54 1.00 0.00 -1.46 0.00 0.00 42.92 41.73 2grg s ASP 62 CO 0.08 -0.22 1.73 0.00 0.52 0.00 0.00 175.17 177.29 2grg h ALA 63 N 1.82 1.00 0.00 3.66 0.00 -2.03 -3.28 119.26 120.43 2grg h ALA 63 Ca -0.43 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2grg h ALA 63 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2grg h ALA 63 CO 0.66 0.00 -0.72 1.04 0.00 0.00 0.00 179.25 180.23 2grg n GLN 64 N -2.30 0.48 -4.26 0.00 6.02 -1.26 -5.05 117.38 111.01 2grg n GLN 64 Ca 0.02 0.40 -0.15 0.00 -0.01 0.00 0.00 57.00 57.27 2grg n GLN 64 Cb 0.24 -1.59 -0.10 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.51 1.37 -0.07 1.08 2.02 -1.24 -4.26 117.35 113.75 2grg s TYR 65 Ca -0.21 -1.32 0.01 0.00 -0.37 0.00 0.00 57.07 55.18 2grg s TYR 65 Cb 0.03 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.89 2grg s TYR 65 CO 0.31 -0.53 -0.07 0.42 -1.57 0.00 0.00 175.55 174.11 2grg s ILE 66 N -3.92 0.85 0.06 2.71 1.01 0.79 -0.73 121.20 121.97 2grg s ILE 66 Ca 0.38 -0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 2grg s ILE 66 Cb 0.07 -0.84 -0.06 0.00 0.01 0.00 0.00 42.46 41.63 2grg s ILE 66 CO 0.14 0.31 0.49 -0.83 0.00 0.00 0.00 174.94 175.05 2grg s GLY 67 N 1.16 2.55 -0.11 6.18 0.00 0.17 -0.44 107.32 116.82 2grg s GLY 67 Ca -0.06 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.56 2grg s GLY 67 CO -0.01 0.25 -0.16 0.30 0.00 0.00 0.00 173.10 173.48 2grg s HIS 68 N -1.17 2.02 -0.18 1.90 0.09 0.50 0.06 115.29 118.51 2grg s HIS 68 Ca 0.29 -0.96 -0.26 0.00 -0.00 0.00 0.00 55.06 54.13 2grg s HIS 68 Cb -0.17 -1.45 -0.01 0.00 -0.00 0.00 0.00 32.58 30.94 2grg s HIS 68 CO 0.17 -0.49 0.86 0.00 -0.00 0.00 0.00 174.74 175.28 2grg s ALA 69 N 0.98 3.54 -0.04 -1.40 0.00 0.16 -0.70 121.76 124.29 2grg s ALA 69 Ca -0.06 0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.99 2grg s ALA 69 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2grg s ALA 69 CO -0.02 -0.70 -0.16 -0.06 0.00 0.00 0.00 175.76 174.82 2grg s PHE 70 N 2.29 2.65 -0.24 0.00 0.40 0.69 -3.20 117.98 120.57 2grg s PHE 70 Ca 0.39 -0.20 -0.26 0.00 -0.60 0.00 0.00 56.93 56.26 2grg s PHE 70 Cb -0.16 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 41.76 2grg s PHE 70 CO 0.12 0.16 0.90 0.15 0.70 0.00 0.00 175.22 177.24 2grg s LYS 71 N -0.72 4.20 0.53 0.44 3.01 -1.16 -1.86 119.74 124.17 2grg s LYS 71 Ca 0.11 1.07 0.04 0.00 -1.01 0.00 0.00 55.97 56.18 2grg s LYS 71 Cb -0.11 -3.65 0.02 0.00 -1.01 0.00 0.00 37.83 33.09 2grg s LYS 71 CO 0.00 -0.57 0.27 0.15 0.51 0.00 0.00 175.35 175.71 2grg s LYS 72 N 2.98 2.24 -0.81 1.68 -0.14 0.32 -4.74 119.74 121.26 2grg s LYS 72 Ca 0.38 -2.13 -0.25 0.00 -1.36 0.00 0.00 55.97 52.60 2grg s LYS 72 Cb -0.15 -1.91 -0.07 0.00 -1.68 0.00 0.00 37.83 34.01 2grg s LYS 72 CO 0.07 -0.52 2.11 0.00 -0.76 0.00 0.00 175.35 176.26 2grg s ALA 73 N -2.80 1.41 -0.05 5.17 0.00 -1.26 -2.52 121.76 121.72 2grg s ALA 73 Ca 0.25 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2grg s ALA 73 Cb -0.01 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.59 2grg s ALA 73 CO 0.15 -5.03 0.00 0.41 0.00 0.00 0.00 175.76 171.29 2grg n GLY 74 N 6.65 0.37 3.23 0.00 0.00 -1.26 -4.98 105.19 109.21 2grg n GLY 74 Ca 0.40 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.71 1.27 -0.15 1.61 4.02 -1.05 -3.12 115.29 116.16 2grg s HIS 75 Ca 0.00 -1.32 -0.01 0.00 1.02 0.00 0.00 55.06 54.75 2grg s HIS 75 Cb 0.00 -0.66 0.04 0.00 -1.02 0.00 0.00 32.58 30.94 2grg s HIS 75 CO 0.00 -0.55 -0.02 -0.06 1.02 0.00 0.00 174.74 175.13 2grg s PHE 76 N -4.04 1.31 -0.07 1.40 0.08 -0.52 -0.52 117.98 115.62 2grg s PHE 76 Ca 0.38 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.68 2grg s PHE 76 Cb 0.07 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.38 2grg s PHE 76 CO 0.12 -0.54 -0.25 0.42 -0.10 0.00 0.00 175.22 174.87 2grg s ILE 77 N 1.76 2.05 -0.39 0.64 1.01 -0.78 0.31 121.20 125.80 2grg s ILE 77 Ca 0.02 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 2grg s ILE 77 Cb -0.15 -1.74 0.04 0.00 0.01 0.00 0.00 42.46 40.62 2grg s ILE 77 CO -0.07 0.56 0.23 -0.69 0.00 0.00 0.00 174.94 174.97 2grg s VAL 78 N 0.01 4.57 -0.21 2.92 1.01 0.82 -0.22 120.40 129.30 2grg s VAL 78 Ca -0.09 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 2grg s VAL 78 Cb -0.15 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2grg s VAL 78 CO 0.05 -0.30 0.54 -0.31 0.00 0.00 0.00 175.10 175.08 2grg s TYR 79 N 1.54 3.35 -0.28 5.22 1.51 0.13 -0.13 117.35 128.69 2grg s TYR 79 Ca 0.02 0.78 -0.15 0.00 -1.01 0.00 0.00 57.07 56.71 2grg s TYR 79 Cb -0.20 -2.70 -0.03 0.00 -0.11 0.00 0.00 41.96 38.91 2grg s TYR 79 CO 0.06 -0.15 0.38 -0.06 -1.11 0.00 0.00 175.55 174.68 2grg s PHE 80 N 1.80 3.24 0.29 2.71 0.40 0.12 -0.37 117.98 126.18 2grg s PHE 80 Ca 0.24 0.38 0.09 0.00 -0.60 0.00 0.00 56.93 57.04 2grg s PHE 80 Cb -0.15 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 2grg s PHE 80 CO 0.10 -0.26 0.07 0.95 0.70 0.00 0.00 175.22 176.77 2grg s THR 81 N 2.09 3.37 0.00 0.64 -4.23 0.41 0.20 115.64 118.12 2grg s THR 81 Ca 0.15 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.84 2grg s THR 81 Cb -0.16 -2.94 -0.15 0.00 1.34 0.00 0.00 72.50 70.59 2grg s THR 81 CO 0.10 -0.30 2.34 -0.81 -0.54 0.00 0.00 174.62 175.41 2grg n PRO 82 N -1.01 1.19 -2.40 3.99 -0.04 -1.26 -0.14 135.00 135.32 2grg n PRO 82 Ca -0.05 -0.56 -0.04 0.00 -0.04 0.00 0.00 63.50 62.81 2grg n PRO 82 Cb 0.60 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 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 2.56 -3.67 -3.63 0.54 5.02 -1.26 -4.89 118.16 112.83 2grg n LYS 83 Ca 0.24 2.87 -0.15 0.00 -2.02 0.00 0.00 58.31 59.24 2grg n LYS 83 Cb 0.55 -4.36 -0.07 0.00 -0.02 0.00 0.00 35.03 31.12 2grg n LYS 83 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2grg s ASN 84 N -0.64 -0.52 0.00 4.39 4.22 -1.26 -5.00 114.94 116.13 2grg s ASN 84 Ca -0.21 0.70 0.00 0.00 -2.14 0.00 0.00 52.86 51.21 2grg s ASN 84 Cb 0.01 0.69 0.00 0.00 1.28 0.00 0.00 41.25 43.23 2grg s ASN 84 CO 0.65 -0.44 0.00 0.29 -2.04 0.00 0.00 177.10 175.56 2grg n LYS 85 N 1.60 2.35 -2.18 3.55 5.02 -1.26 -5.05 118.16 122.19 2grg n LYS 85 Ca -0.18 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.08 2grg n LYS 85 Cb 0.56 -0.56 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2grg n LYS 85 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2grg n ASN 86 N -0.50 -1.90 -4.08 4.39 4.13 -1.26 -4.86 115.26 111.18 2grg n ASN 86 Ca 0.00 0.97 -0.14 0.00 1.68 0.00 0.00 54.58 57.09 2grg n ASN 86 Cb 0.04 -3.88 -0.12 0.00 -1.54 0.00 0.00 39.78 34.29 2grg n ASN 86 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2grg s ARG 87 N -0.83 0.59 -0.35 3.52 0.52 -1.26 -4.82 118.95 116.32 2grg s ARG 87 Ca -0.17 -0.79 -0.07 0.00 -0.52 0.00 0.00 55.73 54.19 2grg s ARG 87 Cb 0.01 -0.42 0.01 0.00 0.52 0.00 0.00 34.95 35.07 2grg s ARG 87 CO 0.45 0.08 0.24 0.39 0.02 0.00 0.00 175.30 176.48 2grg n GLU 88 N 1.46 -3.01 0.00 3.54 4.71 -1.26 -4.81 120.64 121.27 2grg n GLU 88 Ca -0.22 2.49 0.00 0.00 -0.01 0.00 0.00 57.16 59.42 2grg n GLU 88 Cb 0.55 -5.40 0.00 0.00 -1.01 0.00 0.00 31.44 25.58 2grg n GLU 88 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2grg n GLY 89 N 0.32 0.29 3.39 0.62 0.00 -1.26 -5.06 105.19 103.49 2grg n GLY 89 Ca 0.05 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2grg n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2grg s VAL 90 N 0.00 3.78 -0.00 1.61 0.11 -1.26 -5.10 120.40 119.53 2grg s VAL 90 Ca 0.00 -0.36 0.07 0.00 -2.93 0.00 0.00 61.98 58.76 2grg s VAL 90 Cb 0.00 -2.72 -0.02 0.00 -1.53 0.00 0.00 36.38 32.11 2grg s VAL 90 CO 0.00 0.41 -0.22 0.68 -3.33 0.00 0.00 175.10 172.64 2grg s VAL 91 N 1.28 1.73 -0.17 2.04 -7.23 -1.26 -4.59 120.40 112.19 2grg s VAL 91 Ca 0.04 -1.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.96 2grg s VAL 91 Cb -0.15 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 2grg s VAL 91 CO 0.00 0.43 0.79 -2.16 -0.31 0.00 0.00 175.10 173.85 2grg s PRO 92 N -0.66 4.28 -1.08 4.82 0.05 -1.26 -4.98 135.00 136.17 2grg s PRO 92 Ca 0.08 0.93 -0.20 0.00 0.05 0.00 0.00 61.00 61.87 2grg s PRO 92 Cb -0.09 -3.57 -0.07 0.00 0.05 0.00 0.00 34.50 30.82 2grg s PRO 92 CO -0.00 -0.31 1.99 -0.35 0.05 0.00 0.00 177.00 178.38 2grg n PRO 93 N 5.18 2.06 -1.93 0.56 -0.04 -1.26 -4.74 135.00 134.83 2grg n PRO 93 Ca 0.03 -2.30 -0.42 0.00 -0.04 0.00 0.00 63.50 60.77 2grg n PRO 93 Cb 0.49 -3.21 -0.03 0.00 -0.04 0.00 0.00 33.50 30.71 2grg n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2grg s VAL 94 N 5.40 3.04 0.00 0.52 0.11 -1.26 -4.15 120.40 124.05 2grg s VAL 94 Ca 0.56 0.49 0.00 0.00 -2.93 0.00 0.00 61.98 60.10 2grg s VAL 94 Cb 0.11 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 2grg s VAL 94 CO 0.06 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 2grg n GLY 95 N 3.99 0.78 3.80 6.54 0.00 -1.26 -5.05 105.19 114.00 2grg n GLY 95 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.96 5.38 0.32 -0.61 1.01 -1.26 -5.06 121.20 120.02 2grg s ILE 96 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.72 2grg s ILE 96 Cb 0.00 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 2grg s ILE 96 CO 0.00 0.52 1.51 -0.89 0.00 0.00 0.00 174.94 176.08 2grg s THR 97 N -0.36 2.21 -1.38 2.92 2.01 -1.26 -5.08 115.64 114.69 2grg s THR 97 Ca 0.15 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2grg s THR 97 Cb -0.13 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.26 2grg s THR 97 CO 0.04 0.04 0.35 -3.20 -0.69 0.00 0.00 174.62 171.15