#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 -1.78 -2.74 2.12 3.00 -1.26 -4.86 118.16 112.64 2grg n LYS 2 Ca 0.00 1.62 -0.43 0.00 -0.00 0.00 0.00 58.31 59.50 2grg n LYS 2 Cb 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 35.03 33.22 2grg n LYS 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2grg s SER 3 N -0.19 6.82 -0.08 3.14 0.15 -1.26 -4.92 113.70 117.35 2grg s SER 3 Ca 0.00 -2.38 -0.00 0.00 0.70 0.00 0.00 55.95 54.27 2grg s SER 3 Cb 0.00 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 61.84 2grg s SER 3 CO 0.00 -1.09 -0.06 -0.44 1.20 0.00 0.00 173.24 172.86 2grg s SER 4 N 3.86 1.75 -0.03 5.45 0.01 -1.26 -4.27 113.70 119.20 2grg s SER 4 Ca 0.46 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.55 2grg s SER 4 Cb -0.00 -0.66 -0.00 0.00 0.21 0.00 0.00 66.02 65.56 2grg s SER 4 CO -0.00 -0.11 -0.14 -0.63 0.41 0.00 0.00 173.24 172.77 2grg s ILE 5 N 1.49 1.17 0.76 1.44 1.01 -1.24 -4.51 121.20 121.32 2grg s ILE 5 Ca -0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 2grg s ILE 5 Cb -0.13 -1.00 0.06 0.00 0.01 0.00 0.00 42.46 41.39 2grg s ILE 5 CO -0.04 0.34 1.14 -2.16 0.00 0.00 0.00 174.94 174.22 2grg s PRO 6 N -0.02 2.10 0.47 2.79 0.04 -1.26 -0.53 135.00 138.58 2grg s PRO 6 Ca -0.01 1.48 0.22 0.00 0.04 0.00 0.00 61.00 62.73 2grg s PRO 6 Cb -0.09 -1.86 1.19 0.00 0.04 0.00 0.00 34.50 33.79 2grg s PRO 6 CO 0.01 -1.81 1.99 0.97 0.04 0.00 0.00 177.00 178.20 2grg h ILE 7 N -0.74 0.81 0.00 0.56 6.09 -1.92 -2.42 117.51 119.89 2grg h ILE 7 Ca -0.45 -0.73 -0.00 0.00 -1.37 0.00 0.00 64.86 62.31 2grg h ILE 7 Cb 1.26 1.43 -0.00 0.00 0.47 0.00 0.00 36.82 39.99 2grg h ILE 7 CO 0.49 0.18 -0.01 0.00 -3.07 0.00 0.00 178.15 175.75 2grg h THR 8 N 0.00 0.26 0.00 2.19 1.03 -1.92 0.13 112.91 114.60 2grg h THR 8 Ca -0.00 -0.07 -0.39 0.00 -0.01 0.00 0.00 66.41 65.94 2grg h THR 8 Cb 0.42 1.05 -0.06 0.00 -1.07 0.00 0.00 68.15 68.49 2grg h THR 8 CO 0.02 0.01 -2.39 -0.62 -0.01 0.00 0.00 175.52 172.53 2grg n GLU 9 N -3.43 0.58 -0.04 0.00 -0.58 -0.94 -4.59 120.64 111.64 2grg n GLU 9 Ca -0.03 0.18 -0.07 0.00 -0.42 0.00 0.00 57.16 56.82 2grg n GLU 9 Cb 0.10 -1.45 0.10 0.00 -0.57 0.00 0.00 31.44 29.62 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 -0.37 1.28 0.31 2.62 2.07 -1.17 -2.88 116.25 118.12 2grg h VAL 10 Ca -0.58 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 65.47 2grg h VAL 10 Cb 1.72 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2grg h VAL 10 CO -0.21 0.47 -0.45 0.25 0.02 0.00 0.00 177.57 177.65 2grg h LEU 11 N 0.55 -1.28 -1.75 2.57 5.85 -1.00 0.97 115.31 121.22 2grg h LEU 11 Ca 0.06 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2grg h LEU 11 Cb 0.83 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 2grg h LEU 11 CO 0.07 -0.54 -0.16 1.55 -0.34 0.00 0.00 178.44 179.02 2grg h PRO 12 N -0.79 0.00 -0.46 5.25 0.13 -1.79 -2.16 132.00 132.17 2grg h PRO 12 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2grg h PRO 12 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2grg h PRO 12 CO -0.13 0.16 0.00 0.54 -0.23 0.00 0.00 178.00 178.34 2grg n ARG 13 N -3.75 2.09 -3.56 0.86 1.74 -0.95 -4.91 116.66 108.19 2grg n ARG 13 Ca -0.02 -1.69 -0.33 0.00 -0.77 0.00 0.00 57.85 55.05 2grg n ARG 13 Cb 0.27 -1.37 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 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 -1.38 3.70 -0.32 7.54 0.00 0.29 -4.44 121.76 127.15 2grg s ALA 14 Ca 0.32 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.91 2grg s ALA 14 Cb 0.17 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 2grg s ALA 14 CO 0.22 0.59 0.34 1.33 0.00 0.00 0.00 175.76 178.23 2grg n VAL 15 N 0.29 0.00 -3.91 0.00 0.24 0.13 -4.95 118.33 110.14 2grg n VAL 15 Ca -0.03 -0.44 -0.08 0.00 -2.04 0.00 0.00 64.34 61.74 2grg n VAL 15 Cb 0.52 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 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 -1.01 0.24 -0.12 7.63 0.00 -0.14 -1.48 107.32 112.44 2grg s GLY 16 Ca 0.03 -0.60 -0.24 0.00 0.00 0.00 0.00 44.72 43.91 2grg s GLY 16 CO 0.12 -0.32 0.58 -1.35 0.00 0.00 0.00 173.10 172.13 2grg s SER 17 N -2.99 -0.57 -0.16 1.64 1.04 0.64 -0.20 113.70 113.11 2grg s SER 17 Ca 0.16 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.42 2grg s SER 17 Cb -0.04 0.80 0.02 0.00 0.10 0.00 0.00 66.02 66.91 2grg s SER 17 CO 0.09 -0.41 -0.16 -0.76 0.98 0.00 0.00 173.24 172.98 2grg s LEU 18 N -0.55 1.90 -0.29 2.42 1.43 0.11 -1.03 118.68 122.66 2grg s LEU 18 Ca -0.07 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.33 2grg s LEU 18 Cb -0.03 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2grg s LEU 18 CO 0.05 -0.04 0.28 -0.89 0.23 0.00 0.00 176.35 175.98 2grg s THR 19 N 1.41 5.24 0.20 5.49 2.01 0.70 -0.07 115.64 130.62 2grg s THR 19 Ca 0.05 0.24 0.09 0.00 0.31 0.00 0.00 61.69 62.38 2grg s THR 19 Cb -0.13 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2grg s THR 19 CO -0.11 0.14 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.51 2grg s PHE 20 N 1.90 2.63 0.77 4.92 0.40 0.15 0.68 117.98 129.43 2grg s PHE 20 Ca 0.10 -0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.18 2grg s PHE 20 Cb -0.16 -1.26 0.15 0.00 0.51 0.00 0.00 43.02 42.26 2grg s PHE 20 CO 0.11 0.54 1.06 0.16 0.70 0.00 0.00 175.22 177.78 2grg s ASP 21 N -2.98 4.07 0.59 1.36 -4.77 -0.24 -1.64 116.67 113.07 2grg s ASP 21 Ca 0.26 -0.33 0.38 0.00 -3.30 0.00 0.00 52.55 49.56 2grg s ASP 21 Cb -0.08 0.05 1.81 0.00 -1.09 0.00 0.00 42.92 43.61 2grg s ASP 21 CO 0.16 -2.06 2.14 1.05 0.70 0.00 0.00 175.17 177.16 2grg h GLU 22 N -0.74 0.00 -0.35 2.11 9.09 -1.91 0.39 114.58 123.17 2grg h GLU 22 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.04 2grg h GLU 22 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 2grg h GLU 22 CO 0.38 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.53 2grg n ASN 23 N -3.06 2.12 -2.12 3.06 3.02 -1.26 -4.92 115.26 112.10 2grg n ASN 23 Ca -0.01 -1.92 -0.15 0.00 -0.03 0.00 0.00 54.58 52.47 2grg n ASN 23 Cb 0.20 -0.23 0.03 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.64 -1.36 -3.88 3.10 4.01 0.13 -5.02 117.16 114.78 2grg n TYR 24 Ca 0.15 0.37 -0.36 0.00 -0.16 0.00 0.00 57.90 57.90 2grg n TYR 24 Cb 0.35 -3.37 -0.08 0.00 -0.31 0.00 0.00 39.34 35.94 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 -2.84 6.11 -0.09 7.72 0.01 -1.26 -4.84 114.94 119.76 2grg s ASN 25 Ca 0.22 0.29 -0.30 0.00 -0.71 0.00 0.00 52.86 52.36 2grg s ASN 25 Cb -0.10 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 2grg s ASN 25 CO 0.27 0.28 1.55 -0.22 -1.51 0.00 0.00 177.10 177.47 2grg s LEU 26 N -0.26 4.27 -0.24 0.60 0.20 -1.26 -1.07 118.68 120.91 2grg s LEU 26 Ca 0.10 2.07 -0.15 0.00 0.69 0.00 0.00 54.13 56.84 2grg s LEU 26 Cb -0.12 -3.53 -0.10 0.00 -0.43 0.00 0.00 46.19 42.01 2grg s LEU 26 CO 0.01 -0.89 -0.35 0.18 -0.29 0.00 0.00 176.35 175.01 2grg n LEU 27 N 7.04 1.92 -4.07 -0.68 4.77 0.22 -4.96 117.00 121.23 2grg n LEU 27 Ca 0.16 0.33 -0.19 0.00 -0.03 0.00 0.00 56.01 56.28 2grg n LEU 27 Cb 0.43 -0.78 -0.14 0.00 -2.33 0.00 0.00 43.42 40.60 2grg n LEU 27 CO 0.61 0.29 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.89 2grg s ASP 28 N -6.95 1.29 -0.17 -1.43 2.15 -0.90 -4.99 116.67 105.68 2grg s ASP 28 Ca -0.35 -0.26 0.01 0.00 0.43 0.00 0.00 52.55 52.38 2grg s ASP 28 Cb 0.11 -0.12 0.03 0.00 -0.30 0.00 0.00 42.92 42.64 2grg s ASP 28 CO 0.46 0.09 -0.14 -0.89 -0.17 0.00 0.00 175.17 174.52 2grg s THR 29 N -0.43 1.68 0.10 1.71 2.01 -1.26 -0.21 115.64 119.24 2grg s THR 29 Ca 0.03 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2grg s THR 29 Cb -0.05 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2grg s THR 29 CO -0.00 0.40 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.80 2grg s SER 30 N 1.43 1.34 0.40 3.53 0.01 -0.19 -4.80 113.70 115.41 2grg s SER 30 Ca 0.03 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2grg s SER 30 Cb -0.14 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2grg s SER 30 CO -0.10 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.80 2grg n GLY 31 N 0.23 0.10 0.20 3.44 0.00 -1.26 -0.26 105.19 107.63 2grg n GLY 31 Ca -0.14 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.59 -2.32 116.25 116.01 2grg h VAL 32 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2grg h VAL 32 Cb 0.00 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 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 -1.87 1.17 0.19 1.67 0.00 -1.17 -1.13 120.51 119.36 2grg n ALA 33 Ca -0.00 0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.68 2grg n ALA 33 Cb 0.15 -1.32 0.21 0.00 0.00 0.00 0.00 19.45 18.49 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 0.00 0.00 0.00 1.57 -1.59 -3.26 116.57 113.29 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 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2grg h LYS 34 CO 0.00 0.29 -1.72 1.33 -0.57 0.00 0.00 179.45 178.77 2grg n VAL 35 N -3.24 0.00 -2.57 0.50 0.24 -0.28 -4.95 118.33 108.03 2grg n VAL 35 Ca 0.02 -0.38 -0.39 0.00 -2.04 0.00 0.00 64.34 61.55 2grg n VAL 35 Cb 0.58 0.17 -0.05 0.00 -1.47 0.00 0.00 33.84 33.08 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 -3.17 3.72 0.33 1.34 1.01 -0.88 -5.01 121.20 118.54 2grg s ILE 36 Ca -0.05 1.58 -0.28 0.00 0.00 0.00 0.00 60.65 61.90 2grg s ILE 36 Cb 0.11 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 2grg s ILE 36 CO 0.73 0.26 1.13 -1.83 0.00 0.00 0.00 174.94 175.23 2grg s GLU 37 N -1.76 4.41 -1.05 2.79 -1.05 -1.26 -4.92 118.70 115.86 2grg s GLU 37 Ca 0.48 1.81 -0.20 0.00 -0.15 0.00 0.00 54.97 56.91 2grg s GLU 37 Cb -0.27 -2.96 0.08 0.00 -0.44 0.00 0.00 34.13 30.54 2grg s GLU 37 CO 0.34 -0.00 1.40 0.15 0.95 0.00 0.00 175.26 178.10 2grg s LYS 38 N -1.83 3.68 1.07 -4.83 3.01 -1.26 -5.00 119.74 114.57 2grg s LYS 38 Ca 0.50 -1.52 -0.17 0.00 -1.01 0.00 0.00 55.97 53.76 2grg s LYS 38 Cb -0.31 -5.24 0.23 0.00 -1.01 0.00 0.00 37.83 31.50 2grg s LYS 38 CO 0.40 -2.06 1.21 -1.12 0.51 0.00 0.00 175.35 174.29 2grg s SER 39 N 4.35 2.17 -0.45 2.83 0.01 -1.26 -4.88 113.70 116.47 2grg s SER 39 Ca 0.43 0.48 -0.03 0.00 1.31 0.00 0.00 55.95 58.14 2grg s SER 39 Cb -0.01 -0.65 -0.05 0.00 0.21 0.00 0.00 66.02 65.52 2grg s SER 39 CO -0.07 -3.34 1.69 -0.81 0.41 0.00 0.00 173.24 171.13 2grg n PRO 40 N -4.21 1.19 0.04 12.44 -0.04 -1.26 -4.49 135.00 138.67 2grg n PRO 40 Ca 0.14 -0.93 -0.05 0.00 -0.04 0.00 0.00 63.50 62.61 2grg n PRO 40 Cb 0.59 -2.14 0.15 0.00 -0.04 0.00 0.00 33.50 32.06 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 3.40 1.31 -0.78 0.52 2.04 -1.94 -2.90 117.51 119.16 2grg h ILE 41 Ca 0.26 -1.59 0.05 0.00 1.00 0.00 0.00 64.86 64.59 2grg h ILE 41 Cb 0.21 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 2grg h ILE 41 CO 1.07 0.49 0.51 0.00 0.00 0.00 0.00 178.15 180.22 2grg h ALA 42 N 1.21 1.61 -0.40 1.87 0.00 -1.90 0.48 119.26 122.13 2grg h ALA 42 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2grg h ALA 42 Cb 0.89 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2grg h ALA 42 CO 0.07 0.29 -0.04 1.49 0.00 0.00 0.00 179.25 181.07 2grg h GLU 43 N 0.88 0.66 0.00 0.00 4.57 -1.89 -1.99 114.58 116.81 2grg h GLU 43 Ca 0.33 -0.18 -0.18 0.00 -1.18 0.00 0.00 59.36 58.15 2grg h GLU 43 Cb 0.17 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2grg h GLU 43 CO -0.11 0.71 -0.87 0.82 -1.18 0.00 0.00 179.01 178.38 2grg h ILE 44 N 0.62 1.51 -0.25 2.32 1.08 -0.95 -2.89 117.51 118.95 2grg h ILE 44 Ca 0.12 -3.09 -0.00 0.00 -0.39 0.00 0.00 64.86 61.50 2grg h ILE 44 Cb 0.44 2.72 -0.01 0.00 -3.07 0.00 0.00 36.82 36.90 2grg h ILE 44 CO 0.02 0.85 0.15 0.40 -0.69 0.00 0.00 178.15 178.88 2grg h ILE 45 N 0.00 1.10 -0.46 -0.67 2.04 0.35 0.24 117.51 120.12 2grg h ILE 45 Ca -0.01 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 2grg h ILE 45 Cb 1.65 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2grg h ILE 45 CO 0.11 0.10 0.08 0.08 0.00 0.00 0.00 178.15 178.52 2grg h ARG 46 N 0.30 0.76 -0.37 2.37 0.11 -1.43 0.18 114.38 116.31 2grg h ARG 46 Ca 0.09 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2grg h ARG 46 Cb 0.03 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.01 2grg h ARG 46 CO -0.02 0.77 0.24 0.87 0.10 0.00 0.00 179.97 181.94 2grg h LYS 47 N 0.62 0.49 0.00 0.08 1.57 -1.29 -1.74 116.57 116.30 2grg h LYS 47 Ca 0.14 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2grg h LYS 47 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2grg h LYS 47 CO 0.01 0.33 -0.24 0.77 -0.57 0.00 0.00 179.45 179.76 2grg h SER 48 N 0.50 0.00 -0.36 0.86 0.02 -0.30 -2.33 113.55 111.95 2grg h SER 48 Ca 0.14 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2grg h SER 48 Cb -0.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2grg h SER 48 CO -0.03 0.24 -0.02 -1.13 -1.14 0.00 0.00 176.83 174.75 2grg h ASN 49 N 0.00 0.71 0.72 3.07 -1.24 0.27 0.57 115.58 119.68 2grg h ASN 49 Ca -0.00 -0.17 -0.18 0.00 0.71 0.00 0.00 56.30 56.66 2grg h ASN 49 Cb 0.53 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 2grg h ASN 49 CO 0.03 0.79 -0.82 0.00 -1.29 0.00 0.00 177.43 176.14 2grg h ALA 50 N 1.29 0.63 0.15 1.57 0.00 -1.09 -3.34 119.26 118.47 2grg h ALA 50 Ca 0.14 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2grg h ALA 50 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2grg h ALA 50 CO 0.02 0.96 -0.07 0.93 0.00 0.00 0.00 179.25 181.09 2grg h GLU 51 N 0.04 -0.19 0.00 0.00 4.39 -0.87 -3.48 114.58 114.47 2grg h GLU 51 Ca -0.02 0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.46 2grg h GLU 51 Cb 1.44 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 30.08 2grg h GLU 51 CO 0.11 0.23 -0.18 1.47 -1.16 0.00 0.00 179.01 179.49 2grg n LEU 52 N -4.96 0.00 0.00 1.33 -0.00 0.13 -4.88 117.00 108.62 2grg n LEU 52 Ca -0.09 -1.18 0.00 0.00 -0.00 0.00 0.00 56.01 54.74 2grg n LEU 52 Cb 0.26 0.24 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2grg n LEU 52 CO 0.30 -0.17 0.00 0.61 -0.00 0.00 0.00 177.39 178.12 2grg n GLY 53 N 2.05 0.61 0.03 1.47 0.00 -1.26 -4.70 105.19 103.38 2grg n GLY 53 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.02 0.13 -1.30 1.61 0.63 -1.26 -3.31 116.66 113.15 2grg n ARG 54 Ca 0.00 0.04 -0.32 0.00 -0.92 0.00 0.00 57.85 56.66 2grg n ARG 54 Cb 0.00 -1.59 0.09 0.00 0.45 0.00 0.00 32.46 31.41 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 -3.56 3.09 -0.38 6.15 1.43 -1.26 -3.78 118.68 120.37 2grg s LEU 55 Ca 0.09 1.93 -0.05 0.00 -1.03 0.00 0.00 54.13 55.08 2grg s LEU 55 Cb 0.16 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.92 2grg s LEU 55 CO 0.68 -2.10 0.16 -0.83 0.23 0.00 0.00 176.35 174.49 2grg s GLY 56 N -3.07 1.92 0.07 -3.19 0.00 0.31 -4.47 107.32 98.88 2grg s GLY 56 Ca 0.64 -2.19 -0.28 0.00 0.00 0.00 0.00 44.72 42.88 2grg s GLY 56 CO 0.53 0.91 0.91 -0.47 0.00 0.00 0.00 173.10 174.98 2grg s TYR 57 N 1.26 3.76 -0.36 1.90 5.04 -1.18 -3.62 117.35 124.16 2grg s TYR 57 Ca 0.03 1.68 -0.28 0.00 -2.44 0.00 0.00 57.07 56.06 2grg s TYR 57 Cb -0.22 -3.00 -0.02 0.00 0.35 0.00 0.00 41.96 39.07 2grg s TYR 57 CO -0.01 0.19 1.82 -1.12 -1.34 0.00 0.00 175.55 175.09 2grg s SER 58 N 0.16 5.80 -0.21 4.32 0.01 -1.26 -0.73 113.70 121.79 2grg s SER 58 Ca 0.45 1.22 0.12 0.00 1.31 0.00 0.00 55.95 59.05 2grg s SER 58 Cb -0.22 -2.53 -0.22 0.00 0.21 0.00 0.00 66.02 63.26 2grg s SER 58 CO 0.27 -1.80 0.00 1.33 0.41 0.00 0.00 173.24 173.46 2grg n VAL 59 N 7.41 1.44 -3.79 3.43 0.24 0.38 -4.88 118.33 122.55 2grg n VAL 59 Ca 0.23 -0.76 -0.27 0.00 -2.04 0.00 0.00 64.34 61.50 2grg n VAL 59 Cb 0.47 -0.82 -0.17 0.00 -1.47 0.00 0.00 33.84 31.86 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 -2.51 1.25 -0.35 6.34 5.04 -1.15 -4.99 117.35 120.99 2grg s TYR 60 Ca -0.18 -0.90 -0.07 0.00 -2.44 0.00 0.00 57.07 53.48 2grg s TYR 60 Cb 0.07 -1.11 0.04 0.00 0.35 0.00 0.00 41.96 41.31 2grg s TYR 60 CO 0.75 -0.59 0.12 -2.00 -1.34 0.00 0.00 175.55 172.50 2grg s GLU 61 N 1.78 2.63 0.57 4.97 2.12 -1.26 0.56 118.70 130.07 2grg s GLU 61 Ca -0.00 -1.19 0.06 0.00 0.36 0.00 0.00 54.97 54.19 2grg s GLU 61 Cb -0.16 -3.50 0.07 0.00 0.26 0.00 0.00 34.13 30.80 2grg s GLU 61 CO -0.07 -0.69 0.79 0.34 -0.54 0.00 0.00 175.26 175.09 2grg s ASP 62 N 1.46 5.07 0.29 -1.70 -1.08 0.88 -4.99 116.67 116.60 2grg s ASP 62 Ca -0.01 -0.53 0.26 0.00 -0.52 0.00 0.00 52.55 51.74 2grg s ASP 62 Cb -0.20 -0.14 0.85 0.00 -1.46 0.00 0.00 42.92 41.98 2grg s ASP 62 CO 0.03 -1.31 1.76 0.00 0.52 0.00 0.00 175.17 176.17 2grg h ALA 63 N 0.10 1.00 0.00 3.66 0.00 -2.04 -3.34 119.26 118.64 2grg h ALA 63 Ca -0.35 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.26 2grg h ALA 63 Cb 1.28 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2grg h ALA 63 CO 0.43 0.00 -1.97 1.04 0.00 0.00 0.00 179.25 178.75 2grg n GLN 64 N -2.46 0.44 -4.43 0.00 6.02 -1.26 -4.94 117.38 110.74 2grg n GLN 64 Ca 0.04 0.19 -0.21 0.00 -0.01 0.00 0.00 57.00 57.01 2grg n GLN 64 Cb 0.37 -1.24 -0.10 0.00 1.02 0.00 0.00 30.24 30.29 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 -2.43 1.83 -0.05 1.08 1.51 -1.25 -1.71 117.35 116.34 2grg s TYR 65 Ca -0.28 -1.07 -0.00 0.00 -1.01 0.00 0.00 57.07 54.70 2grg s TYR 65 Cb 0.10 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.80 2grg s TYR 65 CO 0.36 -0.13 -0.01 0.42 -1.11 0.00 0.00 175.55 175.09 2grg s ILE 66 N -3.38 0.32 0.10 2.71 1.01 0.14 -0.09 121.20 122.02 2grg s ILE 66 Ca 0.34 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.00 2grg s ILE 66 Cb 0.07 -0.43 -0.05 0.00 0.01 0.00 0.00 42.46 42.05 2grg s ILE 66 CO 0.15 0.21 0.36 -0.83 0.00 0.00 0.00 174.94 174.83 2grg s GLY 67 N 1.41 2.26 -0.05 6.18 0.00 0.19 -0.54 107.32 116.77 2grg s GLY 67 Ca -0.04 -0.53 0.02 0.00 0.00 0.00 0.00 44.72 44.17 2grg s GLY 67 CO -0.03 -0.40 -0.08 0.30 0.00 0.00 0.00 173.10 172.89 2grg s HIS 68 N -1.54 1.05 -0.16 1.90 0.09 -0.01 -0.47 115.29 116.16 2grg s HIS 68 Ca 0.37 -0.34 -0.25 0.00 -0.00 0.00 0.00 55.06 54.84 2grg s HIS 68 Cb -0.13 -0.82 -0.02 0.00 -0.00 0.00 0.00 32.58 31.61 2grg s HIS 68 CO 0.22 -0.21 0.81 0.00 -0.00 0.00 0.00 174.74 175.56 2grg s ALA 69 N 0.71 3.49 -0.02 -1.40 0.00 0.10 -0.42 121.76 124.21 2grg s ALA 69 Ca -0.12 0.04 0.06 0.00 0.00 0.00 0.00 51.96 51.95 2grg s ALA 69 Cb -0.14 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2grg s ALA 69 CO 0.02 -0.59 -0.21 -0.06 0.00 0.00 0.00 175.76 174.92 2grg s PHE 70 N 1.99 2.49 -0.14 0.00 0.40 0.84 -3.08 117.98 120.47 2grg s PHE 70 Ca 0.38 -0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 56.11 2grg s PHE 70 Cb -0.17 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 2grg s PHE 70 CO 0.13 0.08 0.94 0.15 0.70 0.00 0.00 175.22 177.22 2grg s LYS 71 N -0.74 4.36 0.54 0.44 3.01 -1.21 -1.63 119.74 124.50 2grg s LYS 71 Ca 0.11 1.24 0.03 0.00 -1.01 0.00 0.00 55.97 56.34 2grg s LYS 71 Cb -0.10 -3.56 0.02 0.00 -1.01 0.00 0.00 37.83 33.17 2grg s LYS 71 CO 0.00 -0.35 0.21 0.15 0.51 0.00 0.00 175.35 175.87 2grg s LYS 72 N 2.19 2.23 -0.71 1.68 -0.14 0.51 -4.80 119.74 120.71 2grg s LYS 72 Ca 0.44 -2.23 -0.26 0.00 -1.36 0.00 0.00 55.97 52.57 2grg s LYS 72 Cb -0.17 -1.82 -0.06 0.00 -1.68 0.00 0.00 37.83 34.10 2grg s LYS 72 CO 0.14 -0.52 2.10 0.00 -0.76 0.00 0.00 175.35 176.31 2grg s ALA 73 N -2.84 1.64 -0.54 5.17 0.00 -1.26 -2.65 121.76 121.28 2grg s ALA 73 Ca 0.19 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2grg s ALA 73 Cb -0.01 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2grg s ALA 73 CO 0.12 -4.66 0.00 0.41 0.00 0.00 0.00 175.76 171.63 2grg n GLY 74 N 6.30 0.68 3.41 0.00 0.00 -1.26 -4.95 105.19 109.37 2grg n GLY 74 Ca 0.34 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.87 0.92 -0.10 1.61 4.02 -1.08 -4.03 115.29 114.76 2grg s HIS 75 Ca 0.00 -1.16 0.01 0.00 1.02 0.00 0.00 55.06 54.92 2grg s HIS 75 Cb 0.00 -0.21 0.02 0.00 -1.02 0.00 0.00 32.58 31.37 2grg s HIS 75 CO 0.00 -0.89 -0.10 -0.06 1.02 0.00 0.00 174.74 174.71 2grg s PHE 76 N -3.79 1.51 -0.04 1.40 0.08 -0.65 -0.36 117.98 116.12 2grg s PHE 76 Ca 0.32 -0.70 0.04 0.00 0.12 0.00 0.00 56.93 56.71 2grg s PHE 76 Cb 0.02 -1.20 -0.00 0.00 -0.57 0.00 0.00 43.02 41.27 2grg s PHE 76 CO 0.14 -0.44 -0.17 0.42 -0.10 0.00 0.00 175.22 175.07 2grg s ILE 77 N 1.33 1.42 -0.36 0.64 1.01 -0.65 0.30 121.20 124.88 2grg s ILE 77 Ca -0.02 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 2grg s ILE 77 Cb -0.14 -1.22 0.02 0.00 0.01 0.00 0.00 42.46 41.13 2grg s ILE 77 CO -0.04 0.41 0.21 -0.69 0.00 0.00 0.00 174.94 174.82 2grg s VAL 78 N 0.06 4.68 -0.26 2.92 1.01 0.90 -0.11 120.40 129.61 2grg s VAL 78 Ca -0.04 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 2grg s VAL 78 Cb -0.12 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2grg s VAL 78 CO 0.02 -0.17 0.64 -0.31 0.00 0.00 0.00 175.10 175.29 2grg s TYR 79 N 1.59 3.28 -0.31 5.22 1.51 0.44 0.06 117.35 129.13 2grg s TYR 79 Ca 0.03 0.83 -0.18 0.00 -1.01 0.00 0.00 57.07 56.74 2grg s TYR 79 Cb -0.19 -2.87 -0.02 0.00 -0.11 0.00 0.00 41.96 38.78 2grg s TYR 79 CO 0.07 -0.34 0.49 -0.06 -1.11 0.00 0.00 175.55 174.60 2grg s PHE 80 N 2.54 3.21 0.42 2.71 0.40 0.72 -0.83 117.98 127.15 2grg s PHE 80 Ca 0.27 0.35 0.08 0.00 -0.60 0.00 0.00 56.93 57.02 2grg s PHE 80 Cb -0.15 -2.81 -0.02 0.00 0.51 0.00 0.00 43.02 40.54 2grg s PHE 80 CO 0.09 -0.42 0.40 0.95 0.70 0.00 0.00 175.22 176.94 2grg s THR 81 N 2.32 2.70 0.99 0.64 -4.23 0.30 0.19 115.64 118.55 2grg s THR 81 Ca 0.19 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.28 2grg s THR 81 Cb -0.16 -3.00 0.19 0.00 1.34 0.00 0.00 72.50 70.87 2grg s THR 81 CO 0.12 -0.00 1.08 -2.16 -0.54 0.00 0.00 174.62 173.12 2grg s PRO 82 N -4.16 0.44 -0.77 3.99 0.04 -1.26 0.27 135.00 133.56 2grg s PRO 82 Ca 0.49 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 2grg s PRO 82 Cb -0.04 -1.70 -0.16 0.00 0.04 0.00 0.00 34.50 32.64 2grg s PRO 82 CO 0.28 -2.85 2.56 1.63 0.04 0.00 0.00 177.00 178.67 2grg n LYS 83 N -4.32 0.44 -3.46 4.56 5.02 -0.69 -3.82 118.16 115.89 2grg n LYS 83 Ca 0.07 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.10 2grg n LYS 83 Cb 0.54 -2.26 -0.11 0.00 -0.02 0.00 0.00 35.03 33.18 2grg n LYS 83 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2grg s ASN 84 N 10.02 1.99 -0.04 4.39 2.47 -1.26 -4.84 114.94 127.67 2grg s ASN 84 Ca 1.20 -3.02 -0.00 0.00 0.42 0.00 0.00 52.86 51.46 2grg s ASN 84 Cb -0.85 -0.56 -0.02 0.00 -1.45 0.00 0.00 41.25 38.37 2grg s ASN 84 CO 0.41 -0.18 -0.04 1.17 -3.72 0.00 0.00 177.10 174.74 2grg n LYS 85 N 2.93 0.09 0.00 0.43 4.81 -1.26 -5.02 118.16 120.14 2grg n LYS 85 Ca 0.26 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2grg n LYS 85 Cb 0.45 -0.96 0.00 0.00 0.02 0.00 0.00 35.03 34.54 2grg n LYS 85 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2grg n ASN 86 N -2.77 0.00 0.09 3.14 4.13 -1.26 -3.41 115.26 115.18 2grg n ASN 86 Ca -0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.19 2grg n ASN 86 Cb 0.57 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 2grg n ASN 86 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2grg n ARG 87 N 0.00 0.00 -2.78 3.52 3.00 -1.26 -5.06 116.66 114.09 2grg n ARG 87 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 2grg n ARG 87 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 2grg n ARG 87 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2grg s GLU 88 N -2.00 0.20 0.12 -0.14 2.12 -1.22 -5.02 118.70 112.75 2grg s GLU 88 Ca 0.00 -0.07 -0.23 0.00 0.36 0.00 0.00 54.97 55.03 2grg s GLU 88 Cb 0.00 0.02 -0.07 0.00 0.26 0.00 0.00 34.13 34.35 2grg s GLU 88 CO 0.00 -0.28 1.69 0.78 -0.54 0.00 0.00 175.26 176.90 2grg h GLY 89 N 5.41 -0.11 -4.42 -1.50 0.00 -1.96 -3.45 103.07 97.05 2grg h GLY 89 Ca -0.03 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2grg h GLY 89 CO -0.07 -0.12 0.15 0.54 0.00 0.00 0.00 176.54 177.04 2grg s VAL 90 N -6.15 0.00 -0.49 4.60 0.11 -1.26 -5.12 120.40 112.08 2grg s VAL 90 Ca -0.14 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 58.85 2grg s VAL 90 Cb 0.09 -0.99 0.13 0.00 -1.53 0.00 0.00 36.38 34.08 2grg s VAL 90 CO 0.67 -0.00 0.32 0.68 -3.33 0.00 0.00 175.10 173.43 2grg s VAL 91 N -0.55 3.74 0.67 2.04 -7.23 -1.26 -4.86 120.40 112.95 2grg s VAL 91 Ca -0.07 -2.19 -0.02 0.00 -1.81 0.00 0.00 61.98 57.90 2grg s VAL 91 Cb -0.02 -3.49 0.08 0.00 0.56 0.00 0.00 36.38 33.51 2grg s VAL 91 CO 0.06 -0.77 0.93 -2.16 -0.31 0.00 0.00 175.10 172.85 2grg s PRO 92 N 0.91 2.05 -0.12 4.82 0.04 -1.26 -5.03 135.00 136.41 2grg s PRO 92 Ca 0.10 -0.79 -0.29 0.00 0.04 0.00 0.00 61.00 60.05 2grg s PRO 92 Cb -0.23 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 2grg s PRO 92 CO -0.03 -1.18 1.80 -1.25 0.04 0.00 0.00 177.00 176.37 2grg s PRO 93 N -5.06 3.87 -1.02 0.56 0.04 -1.26 -4.91 135.00 127.22 2grg s PRO 93 Ca 0.62 2.07 -0.23 0.00 0.04 0.00 0.00 61.00 63.50 2grg s PRO 93 Cb -0.08 -4.10 0.02 0.00 0.04 0.00 0.00 34.50 30.38 2grg s PRO 93 CO 0.43 -1.23 1.62 0.08 0.04 0.00 0.00 177.00 177.94 2grg s VAL 94 N 5.21 3.80 0.00 -0.36 1.01 -1.26 -4.66 120.40 124.13 2grg s VAL 94 Ca 0.80 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2grg s VAL 94 Cb -0.32 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.28 2grg s VAL 94 CO 0.33 -1.65 0.00 0.61 0.00 0.00 0.00 175.10 174.39 2grg n GLY 95 N 6.72 0.07 1.16 4.51 0.00 -1.26 -4.97 105.19 111.42 2grg n GLY 95 Ca 0.37 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -3.95 -0.61 2.08 -1.26 -4.39 119.36 111.23 2grg n ILE 96 Ca 0.00 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.00 2grg n ILE 96 Cb 0.00 -0.52 -0.15 0.00 -0.75 0.00 0.00 39.64 38.22 2grg n ILE 96 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2grg s THR 97 N -0.81 2.08 0.00 1.39 2.01 -1.26 -5.07 115.64 113.97 2grg s THR 97 Ca 0.00 -2.39 0.00 0.00 0.31 0.00 0.00 61.69 59.61 2grg s THR 97 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.99 2grg s THR 97 CO 0.00 -0.66 0.20 0.59 -0.69 0.00 0.00 174.62 174.06