#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 0.18 -2.88 0.03 3.00 -1.26 -5.06 118.16 112.17 2grg n LYS 2 Ca 0.00 0.07 -0.09 0.00 -0.00 0.00 0.00 58.31 58.28 2grg n LYS 2 Cb 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 35.03 34.11 2grg n LYS 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2grg n SER 3 N -3.14 -7.84 -4.54 3.14 7.64 -1.26 -4.21 113.62 103.41 2grg n SER 3 Ca -0.16 0.53 -0.41 0.00 1.01 0.00 0.00 58.87 59.84 2grg n SER 3 Cb 0.63 -5.20 -0.09 0.00 -1.01 0.00 0.00 64.21 58.54 2grg n SER 3 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2grg s SER 4 N -2.51 6.24 -0.05 6.43 0.01 -1.26 -4.54 113.70 118.02 2grg s SER 4 Ca 0.25 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.32 2grg s SER 4 Cb -0.07 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2grg s SER 4 CO 0.77 -0.45 -0.15 -0.63 0.41 0.00 0.00 173.24 173.19 2grg s ILE 5 N 2.21 1.32 0.71 1.44 1.01 -1.26 -4.22 121.20 122.41 2grg s ILE 5 Ca 0.15 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 2grg s ILE 5 Cb -0.16 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.18 2grg s ILE 5 CO 0.13 0.39 1.15 -2.16 0.00 0.00 0.00 174.94 174.45 2grg s PRO 6 N 0.26 2.37 0.51 2.79 0.04 -1.26 -0.46 135.00 139.26 2grg s PRO 6 Ca -0.08 1.55 0.24 0.00 0.04 0.00 0.00 61.00 62.75 2grg s PRO 6 Cb -0.13 -1.88 1.40 0.00 0.04 0.00 0.00 34.50 33.93 2grg s PRO 6 CO 0.03 -1.62 2.09 0.97 0.04 0.00 0.00 177.00 178.51 2grg h ILE 7 N -0.29 0.72 0.00 0.56 6.09 -1.83 -1.78 117.51 120.98 2grg h ILE 7 Ca -0.47 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 62.57 2grg h ILE 7 Cb 1.27 1.27 0.00 0.00 0.47 0.00 0.00 36.82 39.83 2grg h ILE 7 CO 0.51 0.11 0.00 0.00 -3.07 0.00 0.00 178.15 175.70 2grg h THR 8 N 0.00 0.00 0.00 2.19 1.03 -1.91 0.11 112.91 114.33 2grg h THR 8 Ca -0.00 -0.06 -0.38 0.00 -0.01 0.00 0.00 66.41 65.96 2grg h THR 8 Cb 0.26 0.94 -0.06 0.00 -1.07 0.00 0.00 68.15 68.23 2grg h THR 8 CO 0.01 0.00 -2.32 -0.62 -0.01 0.00 0.00 175.52 172.59 2grg n GLU 9 N -2.89 0.53 0.01 0.00 -0.58 -0.70 -4.63 120.64 112.37 2grg n GLU 9 Ca -0.02 0.19 -0.05 0.00 -0.42 0.00 0.00 57.16 56.85 2grg n GLU 9 Cb 0.09 -1.39 0.16 0.00 -0.57 0.00 0.00 31.44 29.73 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 -0.52 1.28 0.25 2.62 2.07 -1.13 -2.82 116.25 118.00 2grg h VAL 10 Ca -0.57 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.53 2grg h VAL 10 Cb 1.63 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 2grg h VAL 10 CO -0.26 0.45 -0.42 0.25 0.02 0.00 0.00 177.57 177.62 2grg h LEU 11 N 0.44 -1.20 -1.24 2.57 5.85 -1.05 0.42 115.31 121.09 2grg h LEU 11 Ca 0.05 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 2grg h LEU 11 Cb 0.78 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2grg h LEU 11 CO 0.06 -0.49 -0.34 1.55 -0.34 0.00 0.00 178.44 178.88 2grg h PRO 12 N -0.71 0.06 -0.00 5.25 0.13 -1.80 -2.78 132.00 132.15 2grg h PRO 12 Ca -0.03 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2grg h PRO 12 Cb 0.66 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2grg h PRO 12 CO -0.14 0.40 -0.03 0.54 -0.23 0.00 0.00 178.00 178.54 2grg n ARG 13 N -4.12 1.04 -3.14 0.86 1.74 -1.05 -4.87 116.66 107.12 2grg n ARG 13 Ca -0.02 -0.28 -0.34 0.00 -0.77 0.00 0.00 57.85 56.45 2grg n ARG 13 Cb 0.39 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.15 3.36 -0.69 7.54 0.00 0.11 -4.42 121.76 125.51 2grg s ALA 14 Ca 0.40 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.48 2grg s ALA 14 Cb 0.21 -2.77 0.05 0.00 0.00 0.00 0.00 23.12 20.62 2grg s ALA 14 CO 0.39 0.34 0.71 1.33 0.00 0.00 0.00 175.76 178.53 2grg n VAL 15 N -0.00 0.07 -3.51 0.00 0.24 0.95 -4.96 118.33 111.12 2grg n VAL 15 Ca 0.01 -0.54 -0.09 0.00 -2.04 0.00 0.00 64.34 61.69 2grg n VAL 15 Cb 0.52 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.95 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 -0.51 -0.48 -0.12 7.63 0.00 -0.89 -1.38 107.32 111.57 2grg s GLY 16 Ca 0.07 0.78 -0.16 0.00 0.00 0.00 0.00 44.72 45.41 2grg s GLY 16 CO 0.07 0.25 0.42 -1.35 0.00 0.00 0.00 173.10 172.50 2grg s SER 17 N -2.60 -0.41 -0.23 1.64 1.04 0.31 0.26 113.70 113.72 2grg s SER 17 Ca 0.05 0.70 -0.03 0.00 0.48 0.00 0.00 55.95 57.14 2grg s SER 17 Cb -0.01 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.85 2grg s SER 17 CO -0.09 -0.24 -0.06 -0.76 0.98 0.00 0.00 173.24 173.07 2grg s LEU 18 N -0.17 2.92 -0.32 2.42 1.43 0.84 -1.20 118.68 124.61 2grg s LEU 18 Ca -0.03 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 2grg s LEU 18 Cb -0.03 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 2grg s LEU 18 CO 0.02 -0.06 0.53 -0.89 0.23 0.00 0.00 176.35 176.18 2grg s THR 19 N 1.42 5.02 0.17 5.49 2.01 0.93 -0.29 115.64 130.39 2grg s THR 19 Ca 0.04 0.58 0.08 0.00 0.31 0.00 0.00 61.69 62.70 2grg s THR 19 Cb -0.15 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2grg s THR 19 CO -0.05 -0.11 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.34 2grg s PHE 20 N 2.40 2.70 0.61 4.92 0.40 0.18 0.64 117.98 129.83 2grg s PHE 20 Ca 0.20 -0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.32 2grg s PHE 20 Cb -0.15 -1.33 0.04 0.00 0.51 0.00 0.00 43.02 42.09 2grg s PHE 20 CO 0.12 0.50 0.87 0.34 0.70 0.00 0.00 175.22 177.75 2grg s ASP 21 N -2.78 5.11 0.54 1.36 2.15 0.11 -1.99 116.67 121.17 2grg s ASP 21 Ca 0.25 0.20 0.28 0.00 0.43 0.00 0.00 52.55 53.71 2grg s ASP 21 Cb -0.09 -1.00 1.52 0.00 -0.30 0.00 0.00 42.92 43.05 2grg s ASP 21 CO 0.16 -1.31 2.10 1.05 -0.17 0.00 0.00 175.17 177.00 2grg h GLU 22 N -0.19 0.00 -0.10 4.34 4.11 -1.90 0.13 114.58 120.96 2grg h GLU 22 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2grg h GLU 22 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2grg h GLU 22 CO 0.56 0.10 0.00 0.09 0.07 0.00 0.00 179.01 179.82 2grg n ASN 23 N -3.66 0.55 -1.96 3.06 3.02 -1.26 -4.86 115.26 110.15 2grg n ASN 23 Ca -0.02 -1.99 -0.17 0.00 -0.03 0.00 0.00 54.58 52.37 2grg n ASN 23 Cb 0.21 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.20 -0.79 -3.45 3.10 4.01 0.44 -4.99 117.16 115.27 2grg n TYR 24 Ca 0.04 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.40 2grg n TYR 24 Cb 0.09 -3.47 -0.06 0.00 -0.31 0.00 0.00 39.34 35.59 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 -2.24 6.65 -0.16 7.72 0.01 -1.25 -4.79 114.94 120.88 2grg s ASN 25 Ca 0.00 0.77 -0.29 0.00 -0.71 0.00 0.00 52.86 52.63 2grg s ASN 25 Cb 0.00 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 2grg s ASN 25 CO 0.00 0.15 1.51 -0.22 -1.51 0.00 0.00 177.10 177.03 2grg s LEU 26 N -0.03 4.10 -0.24 0.60 0.20 -1.26 0.07 118.68 122.12 2grg s LEU 26 Ca 0.22 1.80 -0.16 0.00 0.69 0.00 0.00 54.13 56.69 2grg s LEU 26 Cb -0.15 -3.53 -0.11 0.00 -0.43 0.00 0.00 46.19 41.96 2grg s LEU 26 CO 0.09 -1.01 -0.24 0.18 -0.29 0.00 0.00 176.35 175.08 2grg n LEU 27 N 7.50 1.93 -3.97 -0.68 4.77 0.21 -4.94 117.00 121.82 2grg n LEU 27 Ca 0.17 0.37 -0.16 0.00 -0.03 0.00 0.00 56.01 56.36 2grg n LEU 27 Cb 0.44 -0.83 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 2grg n LEU 27 CO 0.62 0.28 -0.40 -0.62 -1.33 0.00 0.00 177.39 175.93 2grg s ASP 28 N -6.94 0.63 -0.20 -1.43 2.15 -0.83 -4.98 116.67 105.06 2grg s ASP 28 Ca -0.33 -0.13 0.01 0.00 0.43 0.00 0.00 52.55 52.53 2grg s ASP 28 Cb 0.10 -0.06 0.04 0.00 -0.30 0.00 0.00 42.92 42.70 2grg s ASP 28 CO 0.48 0.05 -0.12 -0.89 -0.17 0.00 0.00 175.17 174.52 2grg s THR 29 N -0.21 1.77 0.07 1.71 2.01 -1.26 -0.05 115.64 119.68 2grg s THR 29 Ca 0.01 -1.08 0.05 0.00 0.31 0.00 0.00 61.69 60.98 2grg s THR 29 Cb -0.03 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 2grg s THR 29 CO -0.00 0.20 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.54 2grg s SER 30 N 1.34 1.75 0.25 3.53 0.01 -0.34 -4.79 113.70 115.45 2grg s SER 30 Ca -0.01 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.67 2grg s SER 30 Cb -0.16 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2grg s SER 30 CO -0.08 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2grg n GLY 31 N 1.43 -0.09 0.21 3.44 0.00 -1.26 -0.53 105.19 108.39 2grg n GLY 31 Ca -0.20 -1.00 0.15 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.56 -1.92 116.25 116.45 2grg h VAL 32 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2grg h VAL 32 Cb 0.00 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 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 2.05 1.00 -0.08 1.67 0.00 -1.81 -1.30 119.26 120.80 2grg h ALA 33 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 2grg h ALA 33 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2grg h ALA 33 CO 0.00 0.00 -0.83 0.87 0.00 0.00 0.00 179.25 179.29 2grg h LYS 34 N 0.00 0.60 0.00 0.00 1.57 -1.54 -3.27 116.57 113.93 2grg h LYS 34 Ca 0.00 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2grg h LYS 34 Cb 0.11 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2grg h LYS 34 CO 0.00 1.16 -0.95 -0.39 -0.57 0.00 0.00 179.45 178.69 2grg h VAL 35 N 0.39 0.00 -3.81 0.50 -1.51 -1.48 -3.46 116.25 106.88 2grg h VAL 35 Ca -0.06 -0.97 -0.49 0.00 -1.23 0.00 0.00 66.70 63.94 2grg h VAL 35 Cb 1.45 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 2grg h VAL 35 CO 0.16 0.00 0.42 -0.63 -1.23 0.00 0.00 177.57 176.28 2grg s ILE 36 N -3.35 3.75 0.19 7.19 1.01 -0.69 -5.00 121.20 124.31 2grg s ILE 36 Ca 0.00 1.70 -0.30 0.00 0.00 0.00 0.00 60.65 62.04 2grg s ILE 36 Cb 0.10 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 2grg s ILE 36 CO 0.78 0.35 1.41 -1.83 0.00 0.00 0.00 174.94 175.66 2grg s GLU 37 N -1.52 4.31 0.24 2.79 -1.05 -1.26 -4.90 118.70 117.31 2grg s GLU 37 Ca 0.45 2.19 -0.06 0.00 -0.15 0.00 0.00 54.97 57.41 2grg s GLU 37 Cb -0.28 -3.17 0.32 0.00 -0.44 0.00 0.00 34.13 30.56 2grg s GLU 37 CO 0.35 -0.40 1.86 0.87 0.95 0.00 0.00 175.26 178.89 2grg h LYS 38 N 5.75 0.96 -2.96 -4.83 6.56 -1.94 -3.48 116.57 116.63 2grg h LYS 38 Ca -0.44 -0.06 0.33 0.00 -1.06 0.00 0.00 60.65 59.42 2grg h LYS 38 Cb 1.21 -0.22 -0.12 0.00 -0.57 0.00 0.00 32.23 32.54 2grg h LYS 38 CO 0.81 0.63 -0.73 0.43 -2.06 0.00 0.00 179.45 178.53 2grg n SER 39 N -4.61 -7.69 -1.85 0.86 7.64 -1.26 -3.87 113.62 102.84 2grg n SER 39 Ca 0.12 0.83 -0.06 0.00 1.01 0.00 0.00 58.87 60.77 2grg n SER 39 Cb 0.16 -4.09 -0.09 0.00 -1.01 0.00 0.00 64.21 59.18 2grg n SER 39 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2grg n PRO 40 N -4.06 1.41 0.04 1.43 -0.02 -1.26 -4.54 135.00 127.99 2grg n PRO 40 Ca -0.03 -0.52 0.02 0.00 -2.02 0.00 0.00 63.50 60.96 2grg n PRO 40 Cb 0.60 -1.58 0.39 0.00 -0.02 0.00 0.00 33.50 32.88 2grg n PRO 40 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2grg h ILE 41 N 1.71 1.14 -0.51 4.25 2.04 -1.95 -2.08 117.51 122.12 2grg h ILE 41 Ca 0.10 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.53 2grg h ILE 41 Cb 1.16 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2grg h ILE 41 CO 0.15 0.18 0.34 0.00 0.00 0.00 0.00 178.15 178.82 2grg h ALA 42 N 1.66 1.89 -0.38 1.87 0.00 -1.89 0.49 119.26 122.90 2grg h ALA 42 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2grg h ALA 42 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2grg h ALA 42 CO -0.01 0.02 -0.23 1.49 0.00 0.00 0.00 179.25 180.53 2grg h GLU 43 N 0.46 0.74 0.00 0.00 4.57 -1.76 -2.48 114.58 116.11 2grg h GLU 43 Ca 0.22 -0.30 -0.15 0.00 -1.18 0.00 0.00 59.36 57.95 2grg h GLU 43 Cb 0.28 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2grg h GLU 43 CO -0.06 0.90 -0.70 0.82 -1.18 0.00 0.00 179.01 178.80 2grg h ILE 44 N 0.65 1.28 -0.27 2.32 1.08 -0.84 -2.92 117.51 118.81 2grg h ILE 44 Ca 0.09 -2.59 -0.01 0.00 -0.39 0.00 0.00 64.86 61.96 2grg h ILE 44 Cb 0.73 2.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.96 2grg h ILE 44 CO 0.06 0.68 0.13 0.40 -0.69 0.00 0.00 178.15 178.73 2grg h ILE 45 N 0.00 1.15 -0.53 -0.67 2.04 0.17 0.25 117.51 119.91 2grg h ILE 45 Ca -0.01 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 2grg h ILE 45 Cb 1.44 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 2grg h ILE 45 CO 0.09 0.15 0.08 0.08 0.00 0.00 0.00 178.15 178.55 2grg h ARG 46 N 0.31 0.89 -0.13 2.37 0.11 -1.48 0.27 114.38 116.71 2grg h ARG 46 Ca 0.09 -0.24 -0.00 0.00 0.10 0.00 0.00 59.98 59.93 2grg h ARG 46 Cb 0.11 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 2grg h ARG 46 CO -0.01 0.86 0.08 0.87 0.10 0.00 0.00 179.97 181.87 2grg h LYS 47 N 0.77 0.18 0.00 0.08 1.57 -1.31 -2.23 116.57 115.64 2grg h LYS 47 Ca 0.16 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2grg h LYS 47 Cb 0.41 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2grg h LYS 47 CO 0.01 0.17 -0.23 0.77 -0.57 0.00 0.00 179.45 179.59 2grg h SER 48 N 0.14 0.00 -0.43 0.86 0.02 -0.34 -2.19 113.55 111.62 2grg h SER 48 Ca 0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2grg h SER 48 Cb 0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2grg h SER 48 CO -0.01 0.23 0.02 -1.13 -1.14 0.00 0.00 176.83 174.80 2grg h ASN 49 N 0.00 0.78 1.46 3.07 -1.24 0.12 0.55 115.58 120.32 2grg h ASN 49 Ca -0.00 -0.18 -0.08 0.00 0.71 0.00 0.00 56.30 56.75 2grg h ASN 49 Cb 0.59 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 2grg h ASN 49 CO 0.03 0.84 -0.36 0.00 -1.29 0.00 0.00 177.43 176.65 2grg h ALA 50 N 1.25 0.80 0.16 1.57 0.00 -0.98 -3.30 119.26 118.76 2grg h ALA 50 Ca 0.15 -0.33 -0.30 0.00 0.00 0.00 0.00 54.91 54.43 2grg h ALA 50 Cb 0.44 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.20 2grg h ALA 50 CO 0.02 0.45 -1.28 0.93 0.00 0.00 0.00 179.25 179.37 2grg h GLU 51 N 0.00 0.58 0.00 0.00 4.39 -0.78 -3.49 114.58 115.28 2grg h GLU 51 Ca -0.00 -0.84 -0.40 0.00 0.34 0.00 0.00 59.36 58.45 2grg h GLU 51 Cb 1.19 0.29 -0.10 0.00 -0.10 0.00 0.00 28.75 30.03 2grg h GLU 51 CO 0.05 1.39 -0.36 1.47 -1.16 0.00 0.00 179.01 180.40 2grg n LEU 52 N -3.80 0.00 0.00 1.33 -0.00 0.12 -5.09 117.00 109.56 2grg n LEU 52 Ca -0.15 -2.91 0.00 0.00 -0.00 0.00 0.00 56.01 52.96 2grg n LEU 52 Cb 1.01 1.79 0.00 0.00 -0.00 0.00 0.00 43.42 46.22 2grg n LEU 52 CO 0.58 -0.53 0.00 0.61 -0.00 0.00 0.00 177.39 178.05 2grg n GLY 53 N -0.58 0.32 0.86 1.47 0.00 -1.26 -4.64 105.19 101.36 2grg n GLY 53 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 2grg n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2grg n ARG 54 N -0.66 2.17 -3.46 1.61 3.00 -1.26 -2.80 116.66 115.26 2grg n ARG 54 Ca 0.00 -1.56 -0.27 0.00 -0.01 0.00 0.00 57.85 56.01 2grg n ARG 54 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 32.46 31.02 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 -1.09 4.10 -0.61 0.55 2.01 -1.26 -2.38 118.68 120.00 2grg s LEU 55 Ca 0.29 0.54 -0.08 0.00 0.01 0.00 0.00 54.13 54.88 2grg s LEU 55 Cb 0.16 -3.35 0.16 0.00 0.01 0.00 0.00 46.19 43.16 2grg s LEU 55 CO 0.18 -0.18 0.48 -0.83 1.01 0.00 0.00 176.35 177.01 2grg s GLY 56 N -3.43 2.34 -0.00 -3.19 0.00 0.39 -4.50 107.32 98.93 2grg s GLY 56 Ca 0.41 -2.95 -0.30 0.00 0.00 0.00 0.00 44.72 41.87 2grg s GLY 56 CO 0.31 1.14 1.48 -0.47 0.00 0.00 0.00 173.10 175.57 2grg s TYR 57 N 0.63 2.65 -0.40 1.90 6.14 -1.21 -4.22 117.35 122.85 2grg s TYR 57 Ca 0.12 0.65 -0.28 0.00 0.64 0.00 0.00 57.07 58.20 2grg s TYR 57 Cb -0.20 -3.75 -0.02 0.00 0.42 0.00 0.00 41.96 38.41 2grg s TYR 57 CO -0.04 -2.87 1.81 -1.12 0.64 0.00 0.00 175.55 173.97 2grg s SER 58 N 2.19 5.75 -0.11 4.32 0.01 -1.26 -0.62 113.70 123.98 2grg s SER 58 Ca 0.67 1.07 0.20 0.00 1.31 0.00 0.00 55.95 59.20 2grg s SER 58 Cb -0.33 -2.53 -0.29 0.00 0.21 0.00 0.00 66.02 63.09 2grg s SER 58 CO 0.27 -1.86 0.30 1.33 0.41 0.00 0.00 173.24 173.69 2grg n VAL 59 N 7.37 0.72 -3.65 3.43 0.24 0.98 -4.84 118.33 122.58 2grg n VAL 59 Ca 0.22 -0.68 -0.27 0.00 -2.04 0.00 0.00 64.34 61.57 2grg n VAL 59 Cb 0.48 -0.25 -0.16 0.00 -1.47 0.00 0.00 33.84 32.43 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 -3.00 0.59 -0.29 6.34 5.04 -1.11 -4.97 117.35 119.94 2grg s TYR 60 Ca -0.09 -0.64 -0.06 0.00 -2.44 0.00 0.00 57.07 53.84 2grg s TYR 60 Cb 0.10 -0.89 0.02 0.00 0.35 0.00 0.00 41.96 41.54 2grg s TYR 60 CO 0.87 -0.60 0.06 -2.00 -1.34 0.00 0.00 175.55 172.53 2grg s GLU 61 N 2.01 2.95 0.00 4.97 2.12 -1.26 0.81 118.70 130.29 2grg s GLU 61 Ca 0.02 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.41 2grg s GLU 61 Cb -0.16 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.91 2grg s GLU 61 CO -0.12 -0.48 0.00 -3.47 -0.54 0.00 0.00 175.26 170.65 2grg n ASP 62 N 4.81 0.88 0.16 -1.70 -0.08 0.19 -5.02 116.55 115.79 2grg n ASP 62 Ca -0.14 -0.80 0.12 0.00 -1.51 0.00 0.00 54.79 52.45 2grg n ASP 62 Cb 0.47 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.01 2grg n ASP 62 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2grg h ALA 63 N 0.55 0.74 0.00 -1.67 0.00 -2.03 -3.38 119.26 113.47 2grg h ALA 63 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 2grg h ALA 63 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2grg h ALA 63 CO 0.00 0.02 -1.84 1.04 0.00 0.00 0.00 179.25 178.47 2grg n GLN 64 N -2.89 0.35 -4.32 0.00 3.00 -1.26 -4.92 117.38 107.34 2grg n GLN 64 Ca 0.02 0.11 -0.17 0.00 -0.01 0.00 0.00 57.00 56.95 2grg n GLN 64 Cb 0.55 -1.20 -0.10 0.00 0.00 0.00 0.00 30.24 29.48 2grg n GLN 64 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2grg s TYR 65 N -2.29 1.53 -0.05 1.08 2.02 -1.26 -0.48 117.35 117.90 2grg s TYR 65 Ca -0.20 -0.94 -0.00 0.00 -0.37 0.00 0.00 57.07 55.56 2grg s TYR 65 Cb 0.06 -0.89 0.03 0.00 -0.40 0.00 0.00 41.96 40.76 2grg s TYR 65 CO 0.31 -0.06 -0.01 0.42 -1.57 0.00 0.00 175.55 174.64 2grg s ILE 66 N -3.45 0.33 0.02 2.71 1.01 0.15 -0.64 121.20 121.33 2grg s ILE 66 Ca 0.28 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 2grg s ILE 66 Cb 0.06 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 2grg s ILE 66 CO 0.08 0.22 0.33 -0.83 0.00 0.00 0.00 174.94 174.74 2grg s GLY 67 N 1.49 2.33 -0.08 6.18 0.00 0.24 -0.55 107.32 116.93 2grg s GLY 67 Ca -0.03 -0.43 0.02 0.00 0.00 0.00 0.00 44.72 44.28 2grg s GLY 67 CO -0.03 -0.18 -0.11 0.30 0.00 0.00 0.00 173.10 173.08 2grg s HIS 68 N -1.25 1.43 -0.15 1.90 0.09 0.55 -0.02 115.29 117.85 2grg s HIS 68 Ca 0.27 -0.57 -0.27 0.00 -0.00 0.00 0.00 55.06 54.49 2grg s HIS 68 Cb -0.14 -1.09 -0.01 0.00 -0.00 0.00 0.00 32.58 31.34 2grg s HIS 68 CO 0.15 -0.33 0.89 0.00 -0.00 0.00 0.00 174.74 175.45 2grg s ALA 69 N 0.91 3.48 -0.02 -1.40 0.00 0.21 -0.53 121.76 124.43 2grg s ALA 69 Ca -0.10 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.08 2grg s ALA 69 Cb -0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2grg s ALA 69 CO 0.01 -0.63 -0.21 -0.06 0.00 0.00 0.00 175.76 174.87 2grg s PHE 70 N 2.11 2.50 -0.07 0.00 0.08 0.63 -3.30 117.98 119.93 2grg s PHE 70 Ca 0.42 -0.31 -0.27 0.00 0.12 0.00 0.00 56.93 56.88 2grg s PHE 70 Cb -0.17 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2grg s PHE 70 CO 0.14 0.10 0.89 0.15 -0.10 0.00 0.00 175.22 176.40 2grg s LYS 71 N -0.83 4.45 0.51 0.44 3.01 -1.12 -1.68 119.74 124.52 2grg s LYS 71 Ca 0.11 1.21 0.02 0.00 -1.01 0.00 0.00 55.97 56.31 2grg s LYS 71 Cb -0.10 -3.50 -0.01 0.00 -1.01 0.00 0.00 37.83 33.21 2grg s LYS 71 CO 0.01 -0.14 0.07 0.15 0.51 0.00 0.00 175.35 175.95 2grg s LYS 72 N 1.42 2.20 -0.69 1.68 -0.14 0.10 -4.78 119.74 119.53 2grg s LYS 72 Ca 0.45 -2.32 -0.26 0.00 -1.36 0.00 0.00 55.97 52.48 2grg s LYS 72 Cb -0.19 -1.64 -0.08 0.00 -1.68 0.00 0.00 37.83 34.24 2grg s LYS 72 CO 0.20 -0.40 2.25 0.00 -0.76 0.00 0.00 175.35 176.64 2grg s ALA 73 N -2.85 1.38 0.00 5.17 0.00 -1.26 -2.48 121.76 121.72 2grg s ALA 73 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2grg s ALA 73 Cb 0.01 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2grg s ALA 73 CO 0.07 -4.96 0.00 0.41 0.00 0.00 0.00 175.76 171.27 2grg n GLY 74 N 6.39 0.48 3.28 0.00 0.00 -1.26 -4.94 105.19 109.13 2grg n GLY 74 Ca 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.28 1.27 -0.08 1.61 4.02 -1.03 -4.07 115.29 114.73 2grg s HIS 75 Ca 0.00 -1.41 0.02 0.00 1.02 0.00 0.00 55.06 54.69 2grg s HIS 75 Cb 0.00 -0.51 0.02 0.00 -1.02 0.00 0.00 32.58 31.07 2grg s HIS 75 CO 0.00 -0.78 -0.11 -0.06 1.02 0.00 0.00 174.74 174.81 2grg s PHE 76 N -3.84 1.48 -0.04 1.40 0.08 -0.84 0.01 117.98 116.23 2grg s PHE 76 Ca 0.38 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.86 2grg s PHE 76 Cb 0.04 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 2grg s PHE 76 CO 0.17 -0.34 -0.12 0.42 -0.10 0.00 0.00 175.22 175.26 2grg s ILE 77 N 0.90 1.03 -0.36 0.64 1.01 -0.68 0.51 121.20 124.24 2grg s ILE 77 Ca -0.10 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 2grg s ILE 77 Cb -0.15 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.43 2grg s ILE 77 CO 0.01 0.31 0.19 -0.69 0.00 0.00 0.00 174.94 174.77 2grg s VAL 78 N 0.28 4.58 -0.20 2.92 1.01 0.61 -0.26 120.40 129.34 2grg s VAL 78 Ca -0.06 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 2grg s VAL 78 Cb -0.11 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2grg s VAL 78 CO 0.02 -0.16 0.52 -0.31 0.00 0.00 0.00 175.10 175.16 2grg s TYR 79 N 1.57 3.38 -0.30 5.22 1.51 0.31 -0.11 117.35 128.93 2grg s TYR 79 Ca 0.03 0.77 -0.12 0.00 -1.01 0.00 0.00 57.07 56.74 2grg s TYR 79 Cb -0.19 -2.67 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 2grg s TYR 79 CO 0.07 -0.09 0.24 -0.06 -1.11 0.00 0.00 175.55 174.60 2grg s PHE 80 N 1.60 3.22 0.12 2.71 0.40 0.14 -0.33 117.98 125.85 2grg s PHE 80 Ca 0.24 0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.70 2grg s PHE 80 Cb -0.15 -2.46 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 2grg s PHE 80 CO 0.10 -0.24 -0.03 0.95 0.70 0.00 0.00 175.22 176.69 2grg s THR 81 N 1.82 3.72 0.32 0.64 -4.23 0.29 -0.04 115.64 118.15 2grg s THR 81 Ca 0.08 -1.23 -0.29 0.00 -1.18 0.00 0.00 61.69 59.07 2grg s THR 81 Cb -0.16 -2.80 -0.11 0.00 1.34 0.00 0.00 72.50 70.77 2grg s THR 81 CO 0.11 0.03 1.45 -2.16 -0.54 0.00 0.00 174.62 173.51 2grg s PRO 82 N -2.51 4.21 -0.52 3.99 0.04 -1.26 0.33 135.00 139.28 2grg s PRO 82 Ca 0.25 2.42 -0.16 0.00 0.04 0.00 0.00 61.00 63.55 2grg s PRO 82 Cb -0.11 -3.04 -0.12 0.00 0.04 0.00 0.00 34.50 31.28 2grg s PRO 82 CO 0.17 -0.44 1.40 1.63 0.04 0.00 0.00 177.00 179.80 2grg n LYS 83 N 1.34 0.00 -3.74 4.56 5.02 0.37 -4.72 118.16 120.98 2grg n LYS 83 Ca 0.04 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.03 2grg n LYS 83 Cb 0.40 -0.78 -0.13 0.00 -0.02 0.00 0.00 35.03 34.50 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 4.63 3.77 -0.64 4.39 4.22 -1.26 -5.04 114.94 125.00 2grg s ASN 84 Ca 0.71 -2.59 -0.27 0.00 -2.14 0.00 0.00 52.86 48.58 2grg s ASN 84 Cb -0.65 -1.10 -0.01 0.00 1.28 0.00 0.00 41.25 40.77 2grg s ASN 84 CO 0.26 -0.28 1.73 -1.59 -2.04 0.00 0.00 177.10 175.18 2grg s LYS 85 N 0.39 2.75 0.43 3.55 0.00 -1.26 -4.95 119.74 120.65 2grg s LYS 85 Ca 0.17 0.41 -0.26 0.00 0.00 0.00 0.00 55.97 56.29 2grg s LYS 85 Cb -0.24 -4.35 -0.09 0.00 0.00 0.00 0.00 37.83 33.16 2grg s LYS 85 CO -0.01 -2.60 1.39 1.21 0.00 0.00 0.00 175.35 175.33 2grg s ASN 86 N 7.10 6.07 -1.07 0.03 3.84 -1.26 -4.86 114.94 124.79 2grg s ASN 86 Ca 0.60 2.84 -0.20 0.00 0.21 0.00 0.00 52.86 56.30 2grg s ASN 86 Cb -0.11 -2.65 -0.08 0.00 -0.55 0.00 0.00 41.25 37.86 2grg s ASN 86 CO 0.19 -1.03 1.96 -1.14 -2.79 0.00 0.00 177.10 174.29 2grg n ARG 87 N -0.02 1.99 -1.20 0.43 3.00 -1.26 -4.93 116.66 114.67 2grg n ARG 87 Ca 0.04 -2.32 -0.29 0.00 -0.00 0.00 0.00 57.85 55.28 2grg n ARG 87 Cb 0.42 -3.26 0.20 0.00 0.00 0.00 0.00 32.46 29.81 2grg n ARG 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2grg s GLU 88 N 4.95 -0.11 0.00 -0.14 -1.05 -1.26 -3.83 118.70 117.26 2grg s GLU 88 Ca 0.58 0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.65 2grg s GLU 88 Cb 0.09 -1.70 0.00 0.00 -0.44 0.00 0.00 34.13 32.08 2grg s GLU 88 CO 0.08 -3.03 0.00 0.41 0.95 0.00 0.00 175.26 173.67 2grg n GLY 89 N -1.23 3.11 2.91 -3.83 0.00 -1.26 -4.90 105.19 99.99 2grg n GLY 89 Ca 0.08 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 2grg n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2grg s VAL 90 N -0.83 2.58 0.21 1.61 1.01 -1.25 -5.11 120.40 118.62 2grg s VAL 90 Ca 0.00 -3.61 -0.29 0.00 0.00 0.00 0.00 61.98 58.08 2grg s VAL 90 Cb 0.00 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 2grg s VAL 90 CO 0.00 -0.89 0.92 0.68 0.00 0.00 0.00 175.10 175.81 2grg s VAL 91 N -0.67 4.19 -0.03 2.92 -7.23 -1.26 -4.94 120.40 113.38 2grg s VAL 91 Ca 0.20 2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 62.10 2grg s VAL 91 Cb -0.18 -4.30 -0.06 0.00 0.56 0.00 0.00 36.38 32.40 2grg s VAL 91 CO -0.06 0.47 1.60 -2.16 -0.31 0.00 0.00 175.10 174.64 2grg s PRO 92 N -0.97 4.20 0.72 4.82 0.04 -1.26 -5.01 135.00 137.54 2grg s PRO 92 Ca 0.41 2.16 -0.11 0.00 0.04 0.00 0.00 61.00 63.51 2grg s PRO 92 Cb -0.25 -3.85 0.02 0.00 0.04 0.00 0.00 34.50 30.46 2grg s PRO 92 CO 0.31 -0.78 1.07 -1.25 0.04 0.00 0.00 177.00 176.38 2grg s PRO 93 N 3.53 2.77 -0.20 0.56 0.04 -1.26 -4.37 135.00 136.06 2grg s PRO 93 Ca 0.71 0.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 2grg s PRO 93 Cb -0.34 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 2grg s PRO 93 CO 0.29 -1.22 -0.06 0.28 0.04 0.00 0.00 177.00 176.33 2grg n VAL 94 N -3.21 1.50 0.00 -0.36 0.31 -1.26 -4.83 118.33 110.48 2grg n VAL 94 Ca 0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2grg n VAL 94 Cb 0.54 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 2grg n VAL 94 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2grg n GLY 95 N 1.45 0.39 0.59 2.92 0.00 -1.26 -4.88 105.19 104.41 2grg n GLY 95 Ca -0.27 -1.21 -0.05 0.00 0.00 0.00 0.00 46.02 44.49 2grg n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2grg n ILE 96 N 0.00 0.29 -4.25 -0.61 5.41 -1.26 -5.03 119.36 113.92 2grg n ILE 96 Ca 0.00 -0.09 -0.26 0.00 1.00 0.00 0.00 62.75 63.40 2grg n ILE 96 Cb 0.00 -1.31 -0.17 0.00 -0.71 0.00 0.00 39.64 37.46 2grg n ILE 96 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2grg s THR 97 N -2.10 1.16 0.00 1.39 -4.23 -1.26 -5.26 115.64 105.34 2grg s THR 97 Ca -0.07 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 2grg s THR 97 Cb 0.03 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.76 2grg s THR 97 CO 0.10 0.38 0.00 -3.20 -0.54 0.00 0.00 174.62 171.36