#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 3.26 0.00 2.12 2.47 -1.26 -4.76 119.74 121.57 2grg s LYS 2 Ca 0.00 -0.70 0.15 0.00 -1.56 0.00 0.00 55.97 53.86 2grg s LYS 2 Cb 0.00 -5.04 0.49 0.00 -1.46 0.00 0.00 37.83 31.82 2grg s LYS 2 CO 0.00 -2.47 1.38 0.43 0.16 0.00 0.00 175.35 174.86 2grg n SER 3 N 10.22 1.90 -4.53 1.43 7.64 -1.26 -4.79 113.62 124.23 2grg n SER 3 Ca 0.29 -1.89 -0.42 0.00 1.01 0.00 0.00 58.87 57.86 2grg n SER 3 Cb 0.50 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 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 -1.23 6.22 -0.08 6.43 0.01 -1.26 -4.24 113.70 119.56 2grg s SER 4 Ca 0.28 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2grg s SER 4 Cb 0.15 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2grg s SER 4 CO 0.21 -1.64 -0.06 -0.63 0.41 0.00 0.00 173.24 171.53 2grg s ILE 5 N 5.07 3.78 0.66 1.44 1.01 -1.18 -4.63 121.20 127.35 2grg s ILE 5 Ca 0.33 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.36 2grg s ILE 5 Cb -0.10 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 2grg s ILE 5 CO 0.16 0.59 1.24 -2.16 0.00 0.00 0.00 174.94 174.77 2grg s PRO 6 N -0.73 2.56 0.47 2.79 0.04 -1.26 -0.55 135.00 138.31 2grg s PRO 6 Ca 0.11 1.88 0.24 0.00 0.04 0.00 0.00 61.00 63.27 2grg s PRO 6 Cb -0.11 -1.87 1.17 0.00 0.04 0.00 0.00 34.50 33.73 2grg s PRO 6 CO 0.02 -1.54 1.96 0.97 0.04 0.00 0.00 177.00 178.44 2grg h ILE 7 N 0.38 0.69 0.00 0.56 6.09 -1.93 -1.64 117.51 121.66 2grg h ILE 7 Ca -0.50 -0.84 -0.00 0.00 -1.37 0.00 0.00 64.86 62.16 2grg h ILE 7 Cb 1.31 1.53 -0.00 0.00 0.47 0.00 0.00 36.82 40.13 2grg h ILE 7 CO 0.53 0.19 -0.01 0.00 -3.07 0.00 0.00 178.15 175.79 2grg h THR 8 N 0.00 0.16 0.00 2.19 1.03 -1.92 0.11 112.91 114.48 2grg h THR 8 Ca -0.00 -0.09 -0.39 0.00 -0.01 0.00 0.00 66.41 65.92 2grg h THR 8 Cb 0.51 1.07 -0.06 0.00 -1.07 0.00 0.00 68.15 68.60 2grg h THR 8 CO 0.03 0.01 -2.16 -0.62 -0.01 0.00 0.00 175.52 172.76 2grg n GLU 9 N -3.30 0.58 -0.07 0.00 -0.58 -0.67 -4.57 120.64 112.03 2grg n GLU 9 Ca -0.03 0.33 -0.07 0.00 -0.42 0.00 0.00 57.16 56.98 2grg n GLU 9 Cb 0.11 -1.55 0.12 0.00 -0.57 0.00 0.00 31.44 29.54 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 -1.00 1.27 0.44 2.62 2.07 -1.20 -2.83 116.25 117.62 2grg h VAL 10 Ca -0.59 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 2grg h VAL 10 Cb 1.50 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2grg h VAL 10 CO -0.35 0.43 -0.38 0.25 0.02 0.00 0.00 177.57 177.53 2grg h LEU 11 N 0.64 -1.02 -1.80 2.57 5.85 -1.05 0.86 115.31 121.36 2grg h LEU 11 Ca 0.10 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2grg h LEU 11 Cb 0.68 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2grg h LEU 11 CO 0.05 -0.52 -0.15 1.55 -0.34 0.00 0.00 178.44 179.03 2grg h PRO 12 N -0.80 0.00 -0.20 5.25 0.13 -1.78 -2.26 132.00 132.34 2grg h PRO 12 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2grg h PRO 12 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2grg h PRO 12 CO -0.02 0.15 0.00 0.54 -0.23 0.00 0.00 178.00 178.44 2grg n ARG 13 N -3.72 1.95 -3.08 0.86 1.74 -1.07 -4.93 116.66 108.41 2grg n ARG 13 Ca -0.02 -1.42 -0.35 0.00 -0.77 0.00 0.00 57.85 55.30 2grg n ARG 13 Cb 0.26 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.75 3.36 -0.70 7.54 0.00 0.27 -4.37 121.76 126.11 2grg s ALA 14 Ca 0.34 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.51 2grg s ALA 14 Cb 0.19 -2.84 0.04 0.00 0.00 0.00 0.00 23.12 20.51 2grg s ALA 14 CO 0.28 0.31 0.65 1.33 0.00 0.00 0.00 175.76 178.34 2grg n VAL 15 N 0.31 0.00 -3.43 0.00 0.24 0.74 -4.97 118.33 111.21 2grg n VAL 15 Ca 0.00 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.68 2grg n VAL 15 Cb 0.52 1.11 -0.02 0.00 -1.47 0.00 0.00 33.84 33.98 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 -0.56 -0.61 -0.17 7.63 0.00 -0.77 -0.77 107.32 112.06 2grg s GLY 16 Ca 0.07 0.59 -0.12 0.00 0.00 0.00 0.00 44.72 45.26 2grg s GLY 16 CO 0.08 0.26 0.43 -1.35 0.00 0.00 0.00 173.10 172.52 2grg s SER 17 N -2.56 -0.51 -0.23 1.64 1.04 0.71 0.11 113.70 113.89 2grg s SER 17 Ca -0.00 0.91 -0.04 0.00 0.48 0.00 0.00 55.95 57.29 2grg s SER 17 Cb -0.01 0.84 -0.01 0.00 0.10 0.00 0.00 66.02 66.95 2grg s SER 17 CO -0.10 -0.18 -0.02 -0.76 0.98 0.00 0.00 173.24 173.16 2grg s LEU 18 N 0.93 3.05 -0.38 2.42 1.43 0.79 -0.65 118.68 126.27 2grg s LEU 18 Ca -0.06 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.42 2grg s LEU 18 Cb -0.06 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.40 2grg s LEU 18 CO -0.08 -0.04 0.52 -0.89 0.23 0.00 0.00 176.35 176.09 2grg s THR 19 N 1.48 4.99 0.14 5.49 2.01 0.83 -0.30 115.64 130.28 2grg s THR 19 Ca 0.05 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.27 2grg s THR 19 Cb -0.15 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 2grg s THR 19 CO -0.02 -0.34 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.14 2grg s PHE 20 N 2.43 2.76 0.63 4.92 0.40 0.18 0.72 117.98 130.02 2grg s PHE 20 Ca 0.18 -0.16 -0.04 0.00 -0.60 0.00 0.00 56.93 56.31 2grg s PHE 20 Cb -0.15 -1.39 0.04 0.00 0.51 0.00 0.00 43.02 42.03 2grg s PHE 20 CO 0.15 0.48 0.92 0.34 0.70 0.00 0.00 175.22 177.80 2grg s ASP 21 N -2.59 5.11 0.55 1.36 2.15 0.52 -0.86 116.67 122.91 2grg s ASP 21 Ca 0.24 0.37 0.28 0.00 0.43 0.00 0.00 52.55 53.87 2grg s ASP 21 Cb -0.10 -1.16 1.59 0.00 -0.30 0.00 0.00 42.92 42.94 2grg s ASP 21 CO 0.16 -1.35 2.14 1.05 -0.17 0.00 0.00 175.17 177.00 2grg h GLU 22 N -0.31 0.00 -0.21 4.34 4.11 -1.87 0.20 114.58 120.84 2grg h GLU 22 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 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 0.58 0.07 0.00 0.09 0.07 0.00 0.00 179.01 179.82 2grg n ASN 23 N -3.75 0.89 -1.60 3.06 3.02 -1.26 -4.87 115.26 110.75 2grg n ASN 23 Ca -0.02 -2.01 -0.15 0.00 -0.03 0.00 0.00 54.58 52.36 2grg n ASN 23 Cb 0.17 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.05 -0.59 -3.41 3.10 4.01 0.71 -4.99 117.16 115.93 2grg n TYR 24 Ca 0.05 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.42 2grg n TYR 24 Cb 0.15 -3.03 -0.07 0.00 -0.31 0.00 0.00 39.34 36.08 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 -2.41 6.56 0.02 7.72 0.01 -1.25 -4.81 114.94 120.77 2grg s ASN 25 Ca 0.00 0.66 -0.30 0.00 -0.71 0.00 0.00 52.86 52.51 2grg s ASN 25 Cb 0.00 -2.24 -0.08 0.00 0.41 0.00 0.00 41.25 39.34 2grg s ASN 25 CO 0.00 0.03 1.87 -0.22 -1.51 0.00 0.00 177.10 177.27 2grg s LEU 26 N 0.66 4.40 -0.26 0.60 2.96 -1.26 -0.35 118.68 125.43 2grg s LEU 26 Ca 0.21 2.56 -0.09 0.00 -0.22 0.00 0.00 54.13 56.59 2grg s LEU 26 Cb -0.14 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.87 2grg s LEU 26 CO 0.07 -1.01 -0.25 0.18 -1.32 0.00 0.00 176.35 174.02 2grg n LEU 27 N 7.33 2.32 -3.77 -0.68 4.77 0.22 -4.93 117.00 122.26 2grg n LEU 27 Ca 0.19 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 2grg n LEU 27 Cb 0.41 -0.87 -0.09 0.00 -2.33 0.00 0.00 43.42 40.54 2grg n LEU 27 CO 0.66 0.69 -0.01 -0.62 -1.33 0.00 0.00 177.39 176.79 2grg s ASP 28 N -7.12 -0.20 -0.15 -1.43 2.15 -0.91 -5.00 116.67 104.02 2grg s ASP 28 Ca -0.36 0.17 -0.00 0.00 0.43 0.00 0.00 52.55 52.79 2grg s ASP 28 Cb 0.12 0.37 0.03 0.00 -0.30 0.00 0.00 42.92 43.15 2grg s ASP 28 CO 0.54 -0.37 -0.08 -0.89 -0.17 0.00 0.00 175.17 174.20 2grg s THR 29 N -1.01 1.25 0.12 1.71 2.01 -1.26 -0.12 115.64 118.33 2grg s THR 29 Ca -0.11 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.37 2grg s THR 29 Cb -0.05 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2grg s THR 29 CO 0.03 0.27 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.65 2grg s SER 30 N 1.59 1.94 0.35 3.53 0.01 0.18 -4.77 113.70 116.53 2grg s SER 30 Ca 0.03 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2grg s SER 30 Cb -0.14 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2grg s SER 30 CO -0.09 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2grg n GLY 31 N 0.59 0.08 0.29 3.44 0.00 -1.26 -0.21 105.19 108.12 2grg n GLY 31 Ca -0.16 -0.94 0.19 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.28 -1.85 116.25 116.79 2grg h VAL 32 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2grg h VAL 32 Cb 0.00 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 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 2.02 1.00 -0.13 1.67 0.00 -1.80 -0.90 119.26 121.12 2grg h ALA 33 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2grg h ALA 33 Cb 0.19 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2grg h ALA 33 CO 0.00 0.00 -0.65 0.87 0.00 0.00 0.00 179.25 179.47 2grg h LYS 34 N 0.00 0.68 0.00 0.00 1.57 -1.50 -3.25 116.57 114.07 2grg h LYS 34 Ca 0.00 -0.55 -0.05 0.00 -1.87 0.00 0.00 60.65 58.18 2grg h LYS 34 Cb 0.06 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2grg h LYS 34 CO 0.00 1.17 -0.80 -0.39 -0.57 0.00 0.00 179.45 178.85 2grg h VAL 35 N 0.36 0.21 -3.89 0.50 -1.51 -1.49 -3.46 116.25 106.97 2grg h VAL 35 Ca -0.04 -1.36 -0.52 0.00 -1.23 0.00 0.00 66.70 63.55 2grg h VAL 35 Cb 1.29 1.84 0.06 0.00 -2.13 0.00 0.00 31.29 32.35 2grg h VAL 35 CO 0.14 0.12 0.60 -0.63 -1.23 0.00 0.00 177.57 176.57 2grg s ILE 36 N -3.19 2.81 0.26 7.19 1.01 -0.44 -4.96 121.20 123.88 2grg s ILE 36 Ca 0.01 0.78 -0.30 0.00 0.00 0.00 0.00 60.65 61.15 2grg s ILE 36 Cb 0.08 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 38.97 2grg s ILE 36 CO 0.76 0.16 1.36 -1.83 0.00 0.00 0.00 174.94 175.40 2grg s GLU 37 N -1.91 4.33 -1.05 2.79 -1.05 -1.26 -4.91 118.70 115.64 2grg s GLU 37 Ca 0.51 2.21 -0.21 0.00 -0.15 0.00 0.00 54.97 57.33 2grg s GLU 37 Cb -0.38 -3.12 0.08 0.00 -0.44 0.00 0.00 34.13 30.27 2grg s GLU 37 CO 0.49 -0.30 1.41 0.15 0.95 0.00 0.00 175.26 177.96 2grg s LYS 38 N -0.72 3.68 0.75 -4.83 3.01 -1.26 -4.99 119.74 115.39 2grg s LYS 38 Ca 0.55 -1.50 -0.03 0.00 -1.01 0.00 0.00 55.97 53.98 2grg s LYS 38 Cb -0.40 -5.26 0.13 0.00 -1.01 0.00 0.00 37.83 31.30 2grg s LYS 38 CO 0.45 -2.08 1.04 -1.12 0.51 0.00 0.00 175.35 174.14 2grg s SER 39 N 4.40 4.21 -0.29 2.83 0.01 -1.26 -4.92 113.70 118.68 2grg s SER 39 Ca 0.44 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.44 2grg s SER 39 Cb -0.01 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 2grg s SER 39 CO -0.07 -1.96 1.40 -2.65 0.41 0.00 0.00 173.24 170.37 2grg n PRO 40 N -2.97 0.65 0.09 12.44 -0.02 -1.26 -4.47 135.00 139.46 2grg n PRO 40 Ca 0.14 -0.87 -0.06 0.00 -2.02 0.00 0.00 63.50 60.69 2grg n PRO 40 Cb 0.60 -2.21 0.06 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.95 1.45 -0.58 4.25 2.04 -1.95 -3.03 117.51 123.63 2grg h ILE 41 Ca 0.18 -2.30 0.07 0.00 1.00 0.00 0.00 64.86 63.81 2grg h ILE 41 Cb 0.13 2.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 2grg h ILE 41 CO 1.26 0.67 0.38 0.00 0.00 0.00 0.00 178.15 180.46 2grg h ALA 42 N 1.11 1.89 -0.75 1.87 0.00 -1.91 0.48 119.26 121.95 2grg h ALA 42 Ca -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2grg h ALA 42 Cb 1.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2grg h ALA 42 CO 0.11 0.00 0.28 1.49 0.00 0.00 0.00 179.25 181.14 2grg h GLU 43 N 0.50 1.13 0.00 0.00 4.57 -1.90 -1.96 114.58 116.91 2grg h GLU 43 Ca 0.25 -0.21 -0.16 0.00 -1.18 0.00 0.00 59.36 58.07 2grg h GLU 43 Cb 0.36 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2grg h GLU 43 CO -0.07 0.93 -0.75 0.82 -1.18 0.00 0.00 179.01 178.75 2grg h ILE 44 N 1.10 1.34 -0.31 2.32 1.08 -0.90 -2.90 117.51 119.25 2grg h ILE 44 Ca 0.25 -2.77 -0.01 0.00 -0.39 0.00 0.00 64.86 61.94 2grg h ILE 44 Cb 0.23 2.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 2grg h ILE 44 CO -0.02 0.74 0.16 0.40 -0.69 0.00 0.00 178.15 178.74 2grg h ILE 45 N 0.00 1.14 -0.44 -0.67 2.04 0.30 0.29 117.51 120.18 2grg h ILE 45 Ca -0.01 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 2grg h ILE 45 Cb 1.52 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2grg h ILE 45 CO 0.10 0.15 0.00 0.08 0.00 0.00 0.00 178.15 178.48 2grg h ARG 46 N 0.37 0.77 -0.25 2.37 0.11 -1.41 0.12 114.38 116.46 2grg h ARG 46 Ca 0.11 -0.24 0.01 0.00 0.10 0.00 0.00 59.98 59.95 2grg h ARG 46 Cb 0.09 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.08 2grg h ARG 46 CO -0.02 0.84 0.15 0.87 0.10 0.00 0.00 179.97 181.91 2grg h LYS 47 N 0.61 0.30 0.00 0.08 1.57 -1.29 -1.77 116.57 116.07 2grg h LYS 47 Ca 0.12 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2grg h LYS 47 Cb 0.49 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2grg h LYS 47 CO 0.02 0.20 -0.23 0.77 -0.57 0.00 0.00 179.45 179.64 2grg h SER 48 N 0.30 0.00 -0.51 0.86 0.02 -0.26 -1.96 113.55 112.00 2grg h SER 48 Ca 0.10 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2grg h SER 48 Cb -0.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2grg h SER 48 CO -0.04 0.23 0.21 -1.13 -1.14 0.00 0.00 176.83 174.95 2grg h ASN 49 N 0.00 0.74 1.44 3.07 -1.24 0.12 0.18 115.58 119.91 2grg h ASN 49 Ca -0.00 -0.10 -0.11 0.00 0.71 0.00 0.00 56.30 56.80 2grg h ASN 49 Cb 0.51 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.36 2grg h ASN 49 CO 0.03 0.68 -0.57 0.00 -1.29 0.00 0.00 177.43 176.29 2grg h ALA 50 N 1.43 0.68 0.04 1.57 0.00 -1.06 -3.32 119.26 118.60 2grg h ALA 50 Ca 0.19 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 2grg h ALA 50 Cb 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2grg h ALA 50 CO -0.02 0.63 -1.02 0.93 0.00 0.00 0.00 179.25 179.77 2grg h GLU 51 N 0.00 0.28 0.00 0.00 4.39 -0.62 -3.48 114.58 115.14 2grg h GLU 51 Ca -0.02 -0.36 -0.19 0.00 0.34 0.00 0.00 59.36 59.14 2grg h GLU 51 Cb 1.39 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 30.10 2grg h GLU 51 CO 0.06 1.09 -0.17 1.47 -1.16 0.00 0.00 179.01 180.30 2grg n LEU 52 N -3.63 0.00 0.00 1.33 -0.00 -0.03 -5.08 117.00 109.59 2grg n LEU 52 Ca -0.06 -1.33 0.00 0.00 -0.00 0.00 0.00 56.01 54.62 2grg n LEU 52 Cb 0.89 0.80 0.00 0.00 -0.00 0.00 0.00 43.42 45.11 2grg n LEU 52 CO 0.51 -0.24 0.00 0.61 -0.00 0.00 0.00 177.39 178.27 2grg n GLY 53 N -0.27 0.59 0.68 1.47 0.00 -1.26 -4.68 105.19 101.72 2grg n GLY 53 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.06 1.91 -2.15 1.61 0.63 -1.26 -3.32 116.66 114.03 2grg n ARG 54 Ca 0.00 -1.35 -0.29 0.00 -0.92 0.00 0.00 57.85 55.29 2grg n ARG 54 Cb 0.00 -1.45 0.03 0.00 0.45 0.00 0.00 32.46 31.49 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 -1.74 3.16 -0.53 6.15 2.01 -1.26 -3.72 118.68 122.74 2grg s LEU 55 Ca 0.34 1.01 -0.01 0.00 0.01 0.00 0.00 54.13 55.48 2grg s LEU 55 Cb 0.20 -3.88 0.14 0.00 0.01 0.00 0.00 46.19 42.66 2grg s LEU 55 CO 0.30 -1.08 0.33 -0.83 1.01 0.00 0.00 176.35 176.08 2grg s GLY 56 N -4.28 2.32 0.24 -3.19 0.00 0.28 -4.38 107.32 98.32 2grg s GLY 56 Ca 0.55 -3.02 -0.30 0.00 0.00 0.00 0.00 44.72 41.95 2grg s GLY 56 CO 0.49 1.06 1.24 -0.47 0.00 0.00 0.00 173.10 175.42 2grg s TYR 57 N 0.29 3.32 -0.39 1.90 5.04 -1.22 -3.12 117.35 123.17 2grg s TYR 57 Ca 0.14 1.42 -0.28 0.00 -2.44 0.00 0.00 57.07 55.91 2grg s TYR 57 Cb -0.22 -3.51 -0.02 0.00 0.35 0.00 0.00 41.96 38.57 2grg s TYR 57 CO -0.03 -1.42 1.81 -1.12 -1.34 0.00 0.00 175.55 173.44 2grg s SER 58 N -0.16 5.76 -0.16 4.32 0.01 -1.26 -1.15 113.70 121.06 2grg s SER 58 Ca 0.51 1.10 0.11 0.00 1.31 0.00 0.00 55.95 58.98 2grg s SER 58 Cb -0.35 -2.53 -0.23 0.00 0.21 0.00 0.00 66.02 63.12 2grg s SER 58 CO 0.42 -1.85 0.19 1.33 0.41 0.00 0.00 173.24 173.74 2grg n VAL 59 N 7.38 1.51 -3.74 3.43 0.24 0.60 -4.83 118.33 122.92 2grg n VAL 59 Ca 0.22 -0.77 -0.28 0.00 -2.04 0.00 0.00 64.34 61.48 2grg n VAL 59 Cb 0.48 -0.92 -0.16 0.00 -1.47 0.00 0.00 33.84 31.77 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 -2.53 1.13 -0.25 6.34 5.04 -1.17 -4.99 117.35 120.94 2grg s TYR 60 Ca -0.15 -0.99 -0.07 0.00 -2.44 0.00 0.00 57.07 53.42 2grg s TYR 60 Cb 0.07 -1.12 -0.03 0.00 0.35 0.00 0.00 41.96 41.23 2grg s TYR 60 CO 0.78 -0.65 0.07 -2.00 -1.34 0.00 0.00 175.55 172.40 2grg s GLU 61 N 1.82 3.67 0.31 4.97 2.12 -1.26 0.61 118.70 130.94 2grg s GLU 61 Ca 0.00 -0.47 0.11 0.00 0.36 0.00 0.00 54.97 54.97 2grg s GLU 61 Cb -0.17 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 2grg s GLU 61 CO -0.11 -0.16 -0.11 0.34 -0.54 0.00 0.00 175.26 174.68 2grg s ASP 62 N 1.55 3.84 0.50 -1.70 2.15 0.81 -5.01 116.67 118.81 2grg s ASP 62 Ca 0.06 -1.02 0.34 0.00 0.43 0.00 0.00 52.55 52.35 2grg s ASP 62 Cb -0.15 -0.42 1.65 0.00 -0.30 0.00 0.00 42.92 43.70 2grg s ASP 62 CO 0.04 -0.08 2.02 0.00 -0.17 0.00 0.00 175.17 176.97 2grg h ALA 63 N 2.08 1.00 0.00 3.66 0.00 -2.03 -3.13 119.26 120.84 2grg h ALA 63 Ca -0.42 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.07 2grg h ALA 63 Cb 1.25 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2grg h ALA 63 CO 0.64 0.00 -2.33 1.04 0.00 0.00 0.00 179.25 178.60 2grg n GLN 64 N -2.78 0.59 -4.18 0.00 6.02 -1.26 -4.99 117.38 110.77 2grg n GLN 64 Ca -0.01 0.31 -0.11 0.00 -0.01 0.00 0.00 57.00 57.18 2grg n GLN 64 Cb 0.16 -1.54 -0.10 0.00 1.02 0.00 0.00 30.24 29.78 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 -2.49 0.94 -0.08 1.08 2.02 -1.18 -3.60 117.35 114.04 2grg s TYR 65 Ca -0.37 -1.04 0.01 0.00 -0.37 0.00 0.00 57.07 55.30 2grg s TYR 65 Cb 0.13 -0.55 0.02 0.00 -0.40 0.00 0.00 41.96 41.16 2grg s TYR 65 CO 0.51 -0.28 -0.09 0.42 -1.57 0.00 0.00 175.55 174.55 2grg s ILE 66 N -3.77 0.95 0.04 2.71 1.01 0.69 -0.13 121.20 122.70 2grg s ILE 66 Ca 0.18 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 2grg s ILE 66 Cb 0.06 -0.93 -0.06 0.00 0.01 0.00 0.00 42.46 41.54 2grg s ILE 66 CO -0.01 0.33 0.46 -0.83 0.00 0.00 0.00 174.94 174.89 2grg s GLY 67 N 1.16 2.51 -0.09 6.18 0.00 0.20 -0.59 107.32 116.67 2grg s GLY 67 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.50 2grg s GLY 67 CO -0.02 0.18 -0.12 0.30 0.00 0.00 0.00 173.10 173.45 2grg s HIS 68 N -1.16 1.63 -0.17 1.90 0.09 0.19 -0.29 115.29 117.48 2grg s HIS 68 Ca 0.27 -0.73 -0.26 0.00 -0.00 0.00 0.00 55.06 54.34 2grg s HIS 68 Cb -0.17 -1.23 -0.01 0.00 -0.00 0.00 0.00 32.58 31.17 2grg s HIS 68 CO 0.16 -0.42 0.86 0.00 -0.00 0.00 0.00 174.74 175.34 2grg s ALA 69 N 1.10 3.52 -0.04 -1.40 0.00 -0.30 -0.68 121.76 123.96 2grg s ALA 69 Ca -0.06 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.02 2grg s ALA 69 Cb -0.14 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2grg s ALA 69 CO -0.02 -0.68 -0.16 -0.06 0.00 0.00 0.00 175.76 174.84 2grg s PHE 70 N 2.23 2.65 -0.10 0.00 0.40 0.65 -3.41 117.98 120.40 2grg s PHE 70 Ca 0.40 -0.19 -0.28 0.00 -0.60 0.00 0.00 56.93 56.25 2grg s PHE 70 Cb -0.17 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 2grg s PHE 70 CO 0.12 0.16 0.93 0.15 0.70 0.00 0.00 175.22 177.29 2grg s LYS 71 N -0.72 4.41 0.51 0.44 3.01 -1.21 -1.61 119.74 124.57 2grg s LYS 71 Ca 0.11 1.26 0.01 0.00 -1.01 0.00 0.00 55.97 56.34 2grg s LYS 71 Cb -0.11 -3.53 0.01 0.00 -1.01 0.00 0.00 37.83 33.19 2grg s LYS 71 CO 0.00 -0.25 0.08 1.63 0.51 0.00 0.00 175.35 177.32 2grg n LYS 72 N 4.80 0.78 -1.93 1.68 4.76 0.28 -4.82 118.16 123.72 2grg n LYS 72 Ca 0.06 -3.58 -0.34 0.00 -2.87 0.00 0.00 58.31 51.58 2grg n LYS 72 Cb 0.49 0.85 -0.04 0.00 -1.84 0.00 0.00 35.03 34.50 2grg n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2grg s ALA 73 N -2.84 1.88 -1.11 7.82 0.00 -1.26 -2.59 121.76 123.66 2grg s ALA 73 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2grg s ALA 73 Cb -0.00 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2grg s ALA 73 CO 0.04 -4.30 0.00 0.41 0.00 0.00 0.00 175.76 171.90 2grg n GLY 74 N 6.04 1.10 3.35 0.00 0.00 -1.26 -4.94 105.19 109.49 2grg n GLY 74 Ca 0.29 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.15 1.00 -0.07 1.61 4.02 -1.07 -3.26 115.29 115.38 2grg s HIS 75 Ca 0.00 -1.23 -0.01 0.00 1.02 0.00 0.00 55.06 54.84 2grg s HIS 75 Cb 0.00 -0.31 0.03 0.00 -1.02 0.00 0.00 32.58 31.27 2grg s HIS 75 CO 0.00 -0.83 -0.00 -0.06 1.02 0.00 0.00 174.74 174.87 2grg s PHE 76 N -3.88 0.67 -0.07 1.40 0.08 -0.04 -0.55 117.98 115.58 2grg s PHE 76 Ca 0.34 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 57.26 2grg s PHE 76 Cb 0.03 -0.80 -0.00 0.00 -0.57 0.00 0.00 43.02 41.69 2grg s PHE 76 CO 0.14 -0.32 -0.21 0.42 -0.10 0.00 0.00 175.22 175.15 2grg s ILE 77 N 1.92 1.77 -0.38 0.64 1.01 -0.63 0.48 121.20 126.01 2grg s ILE 77 Ca 0.04 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 2grg s ILE 77 Cb -0.12 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.85 2grg s ILE 77 CO -0.05 0.50 0.22 -0.69 0.00 0.00 0.00 174.94 174.92 2grg s VAL 78 N 0.16 4.66 -0.24 2.92 1.01 0.59 -0.25 120.40 129.26 2grg s VAL 78 Ca -0.10 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 2grg s VAL 78 Cb -0.15 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2grg s VAL 78 CO 0.05 -0.24 0.55 -0.31 0.00 0.00 0.00 175.10 175.14 2grg s TYR 79 N 1.57 3.31 -0.27 5.22 1.51 0.15 -0.15 117.35 128.68 2grg s TYR 79 Ca 0.02 0.73 -0.14 0.00 -1.01 0.00 0.00 57.07 56.67 2grg s TYR 79 Cb -0.19 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.88 2grg s TYR 79 CO 0.07 -0.23 0.32 -0.06 -1.11 0.00 0.00 175.55 174.54 2grg s PHE 80 N 2.14 3.25 0.24 2.71 0.40 0.12 -0.64 117.98 126.19 2grg s PHE 80 Ca 0.23 0.33 0.08 0.00 -0.60 0.00 0.00 56.93 56.98 2grg s PHE 80 Cb -0.16 -2.51 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 2grg s PHE 80 CO 0.09 -0.19 0.07 0.95 0.70 0.00 0.00 175.22 176.84 2grg s THR 81 N 1.93 3.89 -0.87 0.64 -4.23 0.24 -0.19 115.64 117.05 2grg s THR 81 Ca 0.13 -1.62 -0.06 0.00 -1.18 0.00 0.00 61.69 58.96 2grg s THR 81 Cb -0.16 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.56 2grg s THR 81 CO 0.10 -0.32 2.14 -0.81 -0.54 0.00 0.00 174.62 175.19 2grg n PRO 82 N -0.86 2.06 -2.22 3.99 -0.04 -1.26 -0.22 135.00 136.44 2grg n PRO 82 Ca -0.07 -1.41 -0.21 0.00 -0.04 0.00 0.00 63.50 61.76 2grg n PRO 82 Cb 0.58 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 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 4.09 -1.60 -1.89 0.54 5.02 -1.24 -4.88 118.16 118.21 2grg n LYS 83 Ca 0.44 1.05 -0.42 0.00 -2.02 0.00 0.00 58.31 57.36 2grg n LYS 83 Cb 0.16 -5.64 -0.03 0.00 -0.02 0.00 0.00 35.03 29.50 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 -2.22 5.58 -0.24 4.39 3.84 -1.26 -4.91 114.94 120.11 2grg s ASN 84 Ca 0.00 1.26 -0.03 0.00 0.21 0.00 0.00 52.86 54.30 2grg s ASN 84 Cb 0.00 -2.52 0.11 0.00 -0.55 0.00 0.00 41.25 38.29 2grg s ASN 84 CO 0.00 -1.96 0.24 -0.75 -2.79 0.00 0.00 177.10 171.83 2grg s LYS 85 N 6.23 0.24 -1.70 0.43 2.20 -1.26 -4.88 119.74 121.00 2grg s LYS 85 Ca 0.84 -0.00 -0.13 0.00 -0.36 0.00 0.00 55.97 56.31 2grg s LYS 85 Cb -0.23 -1.01 0.13 0.00 -1.51 0.00 0.00 37.83 35.21 2grg s LYS 85 CO 0.31 -0.83 0.45 0.27 -0.36 0.00 0.00 175.35 175.19 2grg n ASN 86 N 5.31 -1.19 0.00 1.43 6.94 -1.26 -4.86 115.26 121.62 2grg n ASN 86 Ca -0.04 -1.18 0.00 0.00 -0.02 0.00 0.00 54.58 53.34 2grg n ASN 86 Cb 0.48 -2.02 0.00 0.00 -2.36 0.00 0.00 39.78 35.88 2grg n ASN 86 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 2grg n ARG 87 N -4.32 0.00 -1.22 -3.83 3.00 -1.26 -1.35 116.66 107.68 2grg n ARG 87 Ca -0.07 0.87 -0.28 0.00 -0.00 0.00 0.00 57.85 58.38 2grg n ARG 87 Cb 0.56 -1.47 0.12 0.00 0.00 0.00 0.00 32.46 31.67 2grg n ARG 87 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2grg n GLU 88 N -2.69 2.38 -1.52 -0.14 0.00 -1.26 -4.79 120.64 112.62 2grg n GLU 88 Ca 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 57.16 54.20 2grg n GLU 88 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 31.44 29.28 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 -0.91 0.94 3.55 -1.84 0.00 -0.46 -4.99 105.19 101.48 2grg n GLY 89 Ca 0.58 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.33 3.60 -0.34 1.61 1.01 -1.23 -4.96 120.40 117.76 2grg s VAL 90 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 2grg s VAL 90 Cb 0.00 -4.47 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 2grg s VAL 90 CO 0.00 -1.41 0.48 0.68 0.00 0.00 0.00 175.10 174.85 2grg s VAL 91 N 7.47 5.06 -0.17 2.92 -7.23 -1.26 -4.35 120.40 122.84 2grg s VAL 91 Ca 0.54 0.33 -0.29 0.00 -1.81 0.00 0.00 61.98 60.75 2grg s VAL 91 Cb -0.07 -3.91 -0.02 0.00 0.56 0.00 0.00 36.38 32.93 2grg s VAL 91 CO 0.08 -0.15 1.40 -2.16 -0.31 0.00 0.00 175.10 173.95 2grg s PRO 92 N 2.30 4.11 -0.98 4.82 0.04 -1.26 -4.96 135.00 139.07 2grg s PRO 92 Ca 0.17 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 2grg s PRO 92 Cb -0.16 -3.87 0.05 0.00 0.04 0.00 0.00 34.50 30.56 2grg s PRO 92 CO 0.13 -0.88 1.43 -1.25 0.04 0.00 0.00 177.00 176.46 2grg s PRO 93 N 3.88 3.53 -0.39 0.56 0.04 -1.26 -4.96 135.00 136.40 2grg s PRO 93 Ca 0.61 -1.00 -0.28 0.00 0.04 0.00 0.00 61.00 60.37 2grg s PRO 93 Cb -0.24 -5.20 -0.01 0.00 0.04 0.00 0.00 34.50 29.09 2grg s PRO 93 CO 0.21 -2.21 1.73 0.14 0.04 0.00 0.00 177.00 176.91 2grg s VAL 94 N 5.10 3.54 -0.37 -0.36 -7.23 -1.26 -4.82 120.40 115.00 2grg s VAL 94 Ca 0.45 0.52 0.13 0.00 -1.81 0.00 0.00 61.98 61.27 2grg s VAL 94 Cb -0.01 -3.81 0.40 0.00 0.56 0.00 0.00 36.38 33.52 2grg s VAL 94 CO -0.07 -0.56 1.05 0.61 -0.31 0.00 0.00 175.10 175.82 2grg n GLY 95 N 5.40 1.73 0.08 2.32 0.00 -1.26 -4.94 105.19 108.52 2grg n GLY 95 Ca 0.21 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 2grg n GLY 95 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2grg h ILE 96 N 2.34 1.38 -3.40 -0.61 3.07 -2.04 -3.44 117.51 114.81 2grg h ILE 96 Ca -0.11 -3.11 -0.67 0.00 1.55 0.00 0.00 64.86 62.52 2grg h ILE 96 Cb 1.16 2.73 -0.18 0.00 -0.27 0.00 0.00 36.82 40.26 2grg h ILE 96 CO 0.29 0.82 -0.65 0.42 -1.05 0.00 0.00 178.15 177.98 2grg s THR 97 N -2.66 4.08 -2.82 0.16 -4.23 -1.26 -5.12 115.64 103.79 2grg s THR 97 Ca -0.02 -0.32 0.25 0.00 -1.18 0.00 0.00 61.69 60.42 2grg s THR 97 Cb 0.09 -2.73 0.32 0.00 1.34 0.00 0.00 72.50 71.52 2grg s THR 97 CO 0.83 0.57 1.44 -0.46 -0.54 0.00 0.00 174.62 176.46