#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grg h LYS 2 N 0.00 -0.02 -4.99 2.12 1.63 -2.03 -3.40 116.57 109.87 2grg h LYS 2 Ca 0.00 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 59.11 2grg h LYS 2 Cb 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 31.46 2grg h LYS 2 CO 0.00 0.56 0.65 -1.12 -3.45 0.00 0.00 179.45 176.10 2grg s SER 3 N -5.78 6.50 -0.01 4.20 0.01 -1.26 -5.01 113.70 112.36 2grg s SER 3 Ca -0.16 -1.82 -0.15 0.00 1.31 0.00 0.00 55.95 55.13 2grg s SER 3 Cb 0.01 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 2grg s SER 3 CO 0.66 -1.11 0.41 -0.44 0.41 0.00 0.00 173.24 173.17 2grg s SER 4 N 3.55 6.79 -0.11 2.44 0.01 -1.26 -5.00 113.70 120.11 2grg s SER 4 Ca 0.27 0.94 -0.05 0.00 1.31 0.00 0.00 55.95 58.43 2grg s SER 4 Cb -0.09 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2grg s SER 4 CO -0.04 0.30 0.08 -0.63 0.41 0.00 0.00 173.24 173.36 2grg s ILE 5 N -0.95 4.98 0.79 1.44 1.01 -1.25 -4.68 121.20 122.54 2grg s ILE 5 Ca 0.24 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.79 2grg s ILE 5 Cb -0.16 -3.15 0.07 0.00 0.01 0.00 0.00 42.46 39.22 2grg s ILE 5 CO 0.13 0.59 1.09 -2.16 0.00 0.00 0.00 174.94 174.60 2grg s PRO 6 N -0.80 2.12 0.45 2.79 0.04 -1.26 -0.29 135.00 138.04 2grg s PRO 6 Ca 0.13 1.13 0.22 0.00 0.04 0.00 0.00 61.00 62.52 2grg s PRO 6 Cb -0.12 -1.88 1.04 0.00 0.04 0.00 0.00 34.50 33.58 2grg s PRO 6 CO 0.03 -1.73 1.91 0.97 0.04 0.00 0.00 177.00 178.22 2grg h ILE 7 N -1.19 0.78 0.00 0.56 6.09 -1.93 -1.97 117.51 119.85 2grg h ILE 7 Ca -0.44 -0.99 0.00 0.00 -1.37 0.00 0.00 64.86 62.06 2grg h ILE 7 Cb 1.24 1.60 0.00 0.00 0.47 0.00 0.00 36.82 40.13 2grg h ILE 7 CO 0.52 0.24 0.00 0.00 -3.07 0.00 0.00 178.15 175.83 2grg h THR 8 N 0.00 0.00 0.00 2.19 1.03 -1.92 0.17 112.91 114.38 2grg h THR 8 Ca -0.00 -0.05 -0.40 0.00 -0.01 0.00 0.00 66.41 65.95 2grg h THR 8 Cb 0.58 0.97 -0.06 0.00 -1.07 0.00 0.00 68.15 68.58 2grg h THR 8 CO 0.03 0.00 -2.35 -0.62 -0.01 0.00 0.00 175.52 172.57 2grg n GLU 9 N -2.94 0.53 0.08 0.00 -0.58 -0.79 -4.65 120.64 112.28 2grg n GLU 9 Ca -0.02 0.21 -0.04 0.00 -0.42 0.00 0.00 57.16 56.88 2grg n GLU 9 Cb 0.09 -1.39 0.17 0.00 -0.57 0.00 0.00 31.44 29.74 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 -0.67 1.34 0.25 2.62 2.07 -1.16 -2.66 116.25 118.04 2grg h VAL 10 Ca -0.60 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 65.20 2grg h VAL 10 Cb 1.60 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.15 2grg h VAL 10 CO -0.31 0.51 -0.40 0.25 0.02 0.00 0.00 177.57 177.64 2grg h LEU 11 N 0.22 -1.16 -1.20 2.57 5.85 -0.93 0.11 115.31 120.77 2grg h LEU 11 Ca 0.01 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2grg h LEU 11 Cb 0.95 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 2grg h LEU 11 CO 0.08 -0.48 -0.33 1.55 -0.34 0.00 0.00 178.44 178.92 2grg h PRO 12 N -0.69 0.00 -0.05 5.25 0.13 -1.79 -2.98 132.00 131.87 2grg h PRO 12 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2grg h PRO 12 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2grg h PRO 12 CO -0.13 0.33 0.00 0.54 -0.23 0.00 0.00 178.00 178.51 2grg n ARG 13 N -3.69 1.47 -3.64 0.86 1.74 -1.00 -4.87 116.66 107.53 2grg n ARG 13 Ca -0.01 -0.70 -0.32 0.00 -0.77 0.00 0.00 57.85 56.05 2grg n ARG 13 Cb 0.43 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.95 3.77 -0.36 7.54 0.00 0.36 -4.28 121.76 126.84 2grg s ALA 14 Ca 0.38 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.86 2grg s ALA 14 Cb 0.19 -2.17 0.06 0.00 0.00 0.00 0.00 23.12 21.20 2grg s ALA 14 CO 0.31 0.64 0.83 1.33 0.00 0.00 0.00 175.76 178.87 2grg n VAL 15 N 0.27 0.47 -3.55 0.00 0.24 0.12 -4.95 118.33 110.92 2grg n VAL 15 Ca -0.04 -0.73 -0.15 0.00 -2.04 0.00 0.00 64.34 61.38 2grg n VAL 15 Cb 0.52 0.81 -0.05 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.62 -0.48 -0.13 7.63 0.00 -0.78 -1.18 107.32 111.76 2grg s GLY 16 Ca 0.05 0.76 -0.06 0.00 0.00 0.00 0.00 44.72 45.48 2grg s GLY 16 CO 0.05 0.45 0.29 -1.35 0.00 0.00 0.00 173.10 172.53 2grg s SER 17 N -1.84 -0.19 -0.27 1.64 1.04 0.24 0.07 113.70 114.39 2grg s SER 17 Ca -0.06 0.64 -0.06 0.00 0.48 0.00 0.00 55.95 56.95 2grg s SER 17 Cb -0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2grg s SER 17 CO 0.00 -0.19 0.05 -0.76 0.98 0.00 0.00 173.24 173.32 2grg s LEU 18 N 1.60 3.60 -0.34 2.42 1.43 0.43 -1.07 118.68 126.75 2grg s LEU 18 Ca -0.07 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.27 2grg s LEU 18 Cb -0.10 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 2grg s LEU 18 CO -0.10 -0.14 0.45 -0.89 0.23 0.00 0.00 176.35 175.91 2grg s THR 19 N 1.50 5.08 0.20 5.49 2.01 0.11 -0.12 115.64 129.91 2grg s THR 19 Ca 0.03 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.33 2grg s THR 19 Cb -0.16 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2grg s THR 19 CO 0.01 -0.16 0.11 -0.36 -0.69 0.00 0.00 174.62 173.53 2grg s PHE 20 N 2.24 3.02 0.63 4.92 0.40 0.20 0.65 117.98 130.04 2grg s PHE 20 Ca 0.16 -0.09 -0.05 0.00 -0.60 0.00 0.00 56.93 56.35 2grg s PHE 20 Cb -0.16 -1.42 0.04 0.00 0.51 0.00 0.00 43.02 41.99 2grg s PHE 20 CO 0.12 0.53 0.92 0.34 0.70 0.00 0.00 175.22 177.84 2grg s ASP 21 N -3.31 5.20 0.60 1.36 2.15 0.12 -1.95 116.67 120.85 2grg s ASP 21 Ca 0.31 0.46 0.38 0.00 0.43 0.00 0.00 52.55 54.13 2grg s ASP 21 Cb -0.09 -1.29 1.90 0.00 -0.30 0.00 0.00 42.92 43.13 2grg s ASP 21 CO 0.22 -1.30 2.19 1.05 -0.17 0.00 0.00 175.17 177.16 2grg h GLU 22 N -0.30 0.00 -0.65 4.34 4.11 -1.89 0.11 114.58 120.30 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 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2grg h GLU 22 CO 0.59 0.02 0.00 0.09 0.07 0.00 0.00 179.01 179.78 2grg n ASN 23 N -3.17 2.60 -1.35 3.06 3.02 -1.26 -4.89 115.26 113.28 2grg n ASN 23 Ca -0.01 -2.27 -0.15 0.00 -0.03 0.00 0.00 54.58 52.12 2grg n ASN 23 Cb 0.18 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.33 -0.23 -4.00 3.10 4.01 0.37 -4.99 117.16 115.75 2grg n TYR 24 Ca 0.12 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.49 2grg n TYR 24 Cb 0.53 -2.83 -0.07 0.00 -0.31 0.00 0.00 39.34 36.66 2grg n TYR 24 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2grg s ASN 25 N -2.67 6.03 0.22 7.72 2.20 -1.25 -4.79 114.94 122.41 2grg s ASN 25 Ca 0.00 0.34 -0.30 0.00 -0.94 0.00 0.00 52.86 51.96 2grg s ASN 25 Cb 0.00 -1.92 -0.10 0.00 -2.00 0.00 0.00 41.25 37.24 2grg s ASN 25 CO 0.00 0.37 1.41 -0.22 -2.94 0.00 0.00 177.10 175.71 2grg s LEU 26 N -0.77 4.39 -0.06 3.54 2.96 -1.26 0.15 118.68 127.62 2grg s LEU 26 Ca 0.13 2.57 -0.09 0.00 -0.22 0.00 0.00 54.13 56.52 2grg s LEU 26 Cb -0.12 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 2grg s LEU 26 CO 0.03 -0.65 -0.18 0.18 -1.32 0.00 0.00 176.35 174.40 2grg n LEU 27 N 2.60 1.43 -4.04 -0.68 4.77 0.21 -4.86 117.00 116.44 2grg n LEU 27 Ca 0.07 0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 2grg n LEU 27 Cb 0.41 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.83 2grg n LEU 27 CO 0.60 -0.35 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.24 2grg s ASP 28 N -6.02 1.30 -0.20 -1.43 2.15 -0.76 -4.98 116.67 106.72 2grg s ASP 28 Ca -0.16 -0.20 0.01 0.00 0.43 0.00 0.00 52.55 52.63 2grg s ASP 28 Cb 0.03 -0.24 0.03 0.00 -0.30 0.00 0.00 42.92 42.45 2grg s ASP 28 CO 0.23 0.11 -0.16 -0.89 -0.17 0.00 0.00 175.17 174.29 2grg s THR 29 N -0.06 2.00 0.11 1.71 2.01 -1.26 0.05 115.64 120.20 2grg s THR 29 Ca 0.01 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 60.91 2grg s THR 29 Cb -0.06 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 2grg s THR 29 CO 0.00 0.33 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.76 2grg s SER 30 N 1.26 1.18 0.42 3.53 0.01 -0.23 -4.80 113.70 115.07 2grg s SER 30 Ca 0.00 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.24 2grg s SER 30 Cb -0.15 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2grg s SER 30 CO -0.10 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2grg n GLY 31 N -0.07 -0.02 0.17 3.44 0.00 -1.26 -0.60 105.19 106.86 2grg n GLY 31 Ca -0.11 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.48 -2.53 116.25 115.91 2grg h VAL 32 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2grg h VAL 32 Cb 0.00 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 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 -1.84 1.30 0.08 1.67 0.00 -1.19 -1.65 120.51 118.89 2grg n ALA 33 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 2grg n ALA 33 Cb 0.16 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 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 0.30 0.00 0.00 1.57 -1.62 -3.28 116.57 113.54 2grg h LYS 34 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2grg h LYS 34 Cb 0.13 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2grg h LYS 34 CO 0.00 1.07 -1.22 1.33 -0.57 0.00 0.00 179.45 180.05 2grg n VAL 35 N -3.67 0.38 -2.64 0.50 0.24 -0.66 -4.84 118.33 107.64 2grg n VAL 35 Ca -0.06 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.34 61.36 2grg n VAL 35 Cb 0.86 -0.15 -0.04 0.00 -1.47 0.00 0.00 33.84 33.04 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 -3.36 4.23 0.27 1.34 1.01 -0.87 -5.00 121.20 118.82 2grg s ILE 36 Ca -0.01 1.88 -0.31 0.00 0.00 0.00 0.00 60.65 62.21 2grg s ILE 36 Cb 0.12 -4.20 -0.12 0.00 0.01 0.00 0.00 42.46 38.27 2grg s ILE 36 CO 0.82 0.30 1.65 -1.83 0.00 0.00 0.00 174.94 175.88 2grg s GLU 37 N -0.15 4.11 0.34 2.79 -1.05 -1.26 -4.88 118.70 118.59 2grg s GLU 37 Ca 0.48 2.61 0.04 0.00 -0.15 0.00 0.00 54.97 57.95 2grg s GLU 37 Cb -0.26 -3.03 0.66 0.00 -0.44 0.00 0.00 34.13 31.06 2grg s GLU 37 CO 0.32 -0.69 1.93 0.87 0.95 0.00 0.00 175.26 178.63 2grg h LYS 38 N 5.46 0.83 -2.67 -4.83 6.56 -1.94 -3.48 116.57 116.49 2grg h LYS 38 Ca -0.46 -0.05 0.30 0.00 -1.06 0.00 0.00 60.65 59.38 2grg h LYS 38 Cb 1.21 -0.19 -0.11 0.00 -0.57 0.00 0.00 32.23 32.58 2grg h LYS 38 CO 0.85 0.55 -0.66 0.43 -2.06 0.00 0.00 179.45 178.56 2grg n SER 39 N -4.50 -6.95 -1.59 0.86 7.64 -1.26 -3.92 113.62 103.90 2grg n SER 39 Ca 0.13 0.75 -0.03 0.00 1.01 0.00 0.00 58.87 60.73 2grg n SER 39 Cb 0.25 -3.70 -0.01 0.00 -1.01 0.00 0.00 64.21 59.74 2grg n SER 39 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2grg n PRO 40 N -3.88 1.17 0.19 1.43 -0.04 -1.26 -4.53 135.00 128.09 2grg n PRO 40 Ca -0.02 -0.25 0.08 0.00 -0.04 0.00 0.00 63.50 63.26 2grg n PRO 40 Cb 0.54 -1.15 0.60 0.00 -0.04 0.00 0.00 33.50 33.44 2grg n PRO 40 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2grg h ILE 41 N 1.10 1.01 -0.76 0.52 2.04 -1.97 -1.10 117.51 118.35 2grg h ILE 41 Ca 0.05 -0.04 0.15 0.00 1.00 0.00 0.00 64.86 66.01 2grg h ILE 41 Cb 1.03 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 2grg h ILE 41 CO 0.10 0.02 0.50 0.00 0.00 0.00 0.00 178.15 178.77 2grg h ALA 42 N 1.93 2.10 -0.41 1.87 0.00 -1.87 0.47 119.26 123.36 2grg h ALA 42 Ca 0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2grg h ALA 42 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2grg h ALA 42 CO -0.01 -0.31 -0.22 1.49 0.00 0.00 0.00 179.25 180.20 2grg h GLU 43 N 0.42 0.83 0.00 0.00 4.57 -1.57 -2.69 114.58 116.15 2grg h GLU 43 Ca 0.37 -0.34 -0.15 0.00 -1.18 0.00 0.00 59.36 58.05 2grg h GLU 43 Cb 0.84 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 2grg h GLU 43 CO -0.12 0.97 -0.74 0.82 -1.18 0.00 0.00 179.01 178.76 2grg h ILE 44 N 0.72 1.31 -0.17 2.32 1.08 -0.74 -2.90 117.51 119.13 2grg h ILE 44 Ca 0.10 -2.74 -0.01 0.00 -0.39 0.00 0.00 64.86 61.82 2grg h ILE 44 Cb 0.75 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 37.07 2grg h ILE 44 CO 0.06 0.72 0.08 0.40 -0.69 0.00 0.00 178.15 178.72 2grg h ILE 45 N 0.00 1.13 -0.57 -0.67 2.04 -0.00 0.24 117.51 119.68 2grg h ILE 45 Ca -0.01 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 2grg h ILE 45 Cb 1.51 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 2grg h ILE 45 CO 0.10 0.13 0.02 0.08 0.00 0.00 0.00 178.15 178.47 2grg h ARG 46 N 0.15 0.97 0.16 2.37 0.11 -1.53 0.29 114.38 116.90 2grg h ARG 46 Ca 0.06 -0.28 -0.01 0.00 0.10 0.00 0.00 59.98 59.85 2grg h ARG 46 Cb 0.13 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2grg h ARG 46 CO -0.01 0.95 -0.07 0.87 0.10 0.00 0.00 179.97 181.80 2grg h LYS 47 N 0.90 -0.20 0.00 0.08 1.57 -1.28 -2.22 116.57 115.41 2grg h LYS 47 Ca 0.17 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 2grg h LYS 47 Cb 0.50 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2grg h LYS 47 CO 0.02 -0.13 -0.22 0.77 -0.57 0.00 0.00 179.45 179.32 2grg h SER 48 N -0.21 0.00 -0.46 0.86 0.02 -0.28 -1.95 113.55 111.54 2grg h SER 48 Ca -0.02 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 2grg h SER 48 Cb 0.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2grg h SER 48 CO 0.03 0.22 -0.05 -1.13 -1.14 0.00 0.00 176.83 174.76 2grg h ASN 49 N 0.00 0.88 0.75 3.07 -1.24 -0.01 0.17 115.58 119.20 2grg h ASN 49 Ca -0.00 -0.25 -0.14 0.00 0.71 0.00 0.00 56.30 56.61 2grg h ASN 49 Cb 0.41 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 2grg h ASN 49 CO 0.03 0.97 -0.69 0.00 -1.29 0.00 0.00 177.43 176.45 2grg h ALA 50 N 1.12 0.82 0.19 1.57 0.00 -0.83 -3.32 119.26 118.81 2grg h ALA 50 Ca 0.14 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2grg h ALA 50 Cb 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2grg h ALA 50 CO 0.03 0.86 -0.09 0.93 0.00 0.00 0.00 179.25 180.98 2grg h GLU 51 N 0.00 -0.25 0.00 0.00 4.39 -0.81 -3.49 114.58 114.42 2grg h GLU 51 Ca -0.01 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2grg h GLU 51 Cb 1.25 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 2grg h GLU 51 CO 0.09 0.12 -0.03 1.47 -1.16 0.00 0.00 179.01 179.49 2grg n LEU 52 N -4.95 0.00 0.00 1.33 -0.00 0.55 -5.10 117.00 108.84 2grg n LEU 52 Ca -0.07 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.72 2grg n LEU 52 Cb 0.24 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 2grg n LEU 52 CO 0.22 -0.03 0.00 0.61 -0.00 0.00 0.00 177.39 178.19 2grg n GLY 53 N 4.32 -0.16 0.06 1.47 0.00 -1.26 -4.66 105.19 104.95 2grg n GLY 53 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.28 0.33 -2.68 1.61 3.00 -1.26 -3.40 116.66 111.98 2grg n ARG 54 Ca 0.00 0.06 -0.26 0.00 -0.00 0.00 0.00 57.85 57.65 2grg n ARG 54 Cb 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 32.46 30.80 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 -4.26 3.52 -0.44 6.15 2.01 -1.26 -3.76 118.68 120.64 2grg s LEU 55 Ca 0.04 0.67 -0.06 0.00 0.01 0.00 0.00 54.13 54.79 2grg s LEU 55 Cb 0.13 -3.55 0.11 0.00 0.01 0.00 0.00 46.19 42.89 2grg s LEU 55 CO 0.76 -0.76 0.27 -0.83 1.01 0.00 0.00 176.35 176.79 2grg s GLY 56 N -4.20 2.01 0.18 -3.19 0.00 0.60 -4.56 107.32 98.16 2grg s GLY 56 Ca 0.49 -2.49 -0.30 0.00 0.00 0.00 0.00 44.72 42.42 2grg s GLY 56 CO 0.43 1.05 1.36 -0.47 0.00 0.00 0.00 173.10 175.47 2grg s TYR 57 N 1.26 3.21 -0.39 1.90 5.04 -1.17 -3.80 117.35 123.40 2grg s TYR 57 Ca 0.06 1.10 -0.28 0.00 -2.44 0.00 0.00 57.07 55.51 2grg s TYR 57 Cb -0.24 -3.67 -0.01 0.00 0.35 0.00 0.00 41.96 38.38 2grg s TYR 57 CO -0.02 -2.20 1.73 -1.12 -1.34 0.00 0.00 175.55 172.60 2grg s SER 58 N 0.58 5.89 -0.20 4.32 0.01 -1.26 -0.73 113.70 122.31 2grg s SER 58 Ca 0.60 1.05 0.13 0.00 1.31 0.00 0.00 55.95 59.03 2grg s SER 58 Cb -0.38 -2.53 -0.23 0.00 0.21 0.00 0.00 66.02 63.10 2grg s SER 58 CO 0.37 -1.76 0.05 1.33 0.41 0.00 0.00 173.24 173.64 2grg n VAL 59 N 7.31 1.45 -3.70 3.43 0.24 0.68 -4.83 118.33 122.90 2grg n VAL 59 Ca 0.21 -0.77 -0.30 0.00 -2.04 0.00 0.00 64.34 61.44 2grg n VAL 59 Cb 0.48 -0.80 -0.15 0.00 -1.47 0.00 0.00 33.84 31.90 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 1.48 -0.33 6.34 5.04 -1.11 -4.98 117.35 121.28 2grg s TYR 60 Ca -0.16 -1.60 -0.14 0.00 -2.44 0.00 0.00 57.07 52.73 2grg s TYR 60 Cb 0.07 -1.58 -0.02 0.00 0.35 0.00 0.00 41.96 40.78 2grg s TYR 60 CO 0.77 -0.87 0.31 -2.00 -1.34 0.00 0.00 175.55 172.42 2grg s GLU 61 N 1.70 3.61 0.37 4.97 2.12 -1.26 0.59 118.70 130.79 2grg s GLU 61 Ca 0.10 -0.44 0.08 0.00 0.36 0.00 0.00 54.97 55.06 2grg s GLU 61 Cb -0.17 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 2grg s GLU 61 CO -0.27 -0.46 0.21 0.34 -0.54 0.00 0.00 175.26 174.55 2grg s ASP 62 N 1.73 4.76 0.53 -1.70 2.15 0.14 -5.01 116.67 119.28 2grg s ASP 62 Ca 0.10 -0.81 0.31 0.00 0.43 0.00 0.00 52.55 52.59 2grg s ASP 62 Cb -0.17 -0.67 1.41 0.00 -0.30 0.00 0.00 42.92 43.19 2grg s ASP 62 CO 0.11 -0.43 2.01 0.00 -0.17 0.00 0.00 175.17 176.69 2grg h ALA 63 N 1.38 1.06 0.00 3.66 0.00 -2.02 -3.24 119.26 120.10 2grg h ALA 63 Ca -0.43 -0.07 -0.44 0.00 0.00 0.00 0.00 54.91 53.97 2grg h ALA 63 Cb 1.26 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 2grg h ALA 63 CO 0.63 0.10 -2.51 1.04 0.00 0.00 0.00 179.25 178.50 2grg n GLN 64 N -3.27 0.61 -4.28 0.00 6.02 -1.26 -4.99 117.38 110.20 2grg n GLN 64 Ca -0.00 0.22 -0.15 0.00 -0.01 0.00 0.00 57.00 57.05 2grg n GLN 64 Cb 0.29 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.96 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 1.39 -0.07 1.08 2.02 -1.22 -3.22 117.35 114.82 2grg s TYR 65 Ca -0.37 -0.87 -0.00 0.00 -0.37 0.00 0.00 57.07 55.46 2grg s TYR 65 Cb 0.13 -0.77 0.02 0.00 -0.40 0.00 0.00 41.96 40.94 2grg s TYR 65 CO 0.53 -0.01 -0.03 0.42 -1.57 0.00 0.00 175.55 174.88 2grg s ILE 66 N -3.41 0.57 0.05 2.71 1.01 0.13 0.27 121.20 122.53 2grg s ILE 66 Ca 0.23 -0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 2grg s ILE 66 Cb 0.04 -0.65 -0.06 0.00 0.01 0.00 0.00 42.46 41.80 2grg s ILE 66 CO 0.05 0.27 0.48 -0.83 0.00 0.00 0.00 174.94 174.91 2grg s GLY 67 N 1.53 2.53 -0.06 6.18 0.00 0.20 -0.42 107.32 117.27 2grg s GLY 67 Ca -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.60 2grg s GLY 67 CO -0.04 0.22 -0.13 0.30 0.00 0.00 0.00 173.10 173.46 2grg s HIS 68 N -1.17 1.51 -0.18 1.90 0.09 0.10 -0.23 115.29 117.31 2grg s HIS 68 Ca 0.28 -0.55 -0.25 0.00 -0.00 0.00 0.00 55.06 54.54 2grg s HIS 68 Cb -0.17 -1.10 -0.01 0.00 -0.00 0.00 0.00 32.58 31.30 2grg s HIS 68 CO 0.16 -0.27 0.83 0.00 -0.00 0.00 0.00 174.74 175.46 2grg s ALA 69 N 0.60 3.53 -0.04 -1.40 0.00 0.10 -1.02 121.76 123.53 2grg s ALA 69 Ca -0.14 0.01 0.05 0.00 0.00 0.00 0.00 51.96 51.88 2grg s ALA 69 Cb -0.16 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2grg s ALA 69 CO 0.04 -0.68 -0.19 -0.06 0.00 0.00 0.00 175.76 174.87 2grg s PHE 70 N 2.22 2.56 -0.29 0.00 0.40 0.31 -3.03 117.98 120.15 2grg s PHE 70 Ca 0.38 -0.32 -0.25 0.00 -0.60 0.00 0.00 56.93 56.14 2grg s PHE 70 Cb -0.16 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.78 2grg s PHE 70 CO 0.12 0.06 0.88 0.15 0.70 0.00 0.00 175.22 177.13 2grg s LYS 71 N -0.60 4.06 0.51 0.44 3.01 -1.22 -1.90 119.74 124.04 2grg s LYS 71 Ca 0.09 0.83 0.06 0.00 -1.01 0.00 0.00 55.97 55.94 2grg s LYS 71 Cb -0.11 -3.70 0.02 0.00 -1.01 0.00 0.00 37.83 33.03 2grg s LYS 71 CO 0.00 -0.68 0.41 0.15 0.51 0.00 0.00 175.35 175.74 2grg s LYS 72 N 3.09 2.31 -0.64 1.68 -0.14 0.71 -4.86 119.74 121.90 2grg s LYS 72 Ca 0.36 -1.89 -0.26 0.00 -1.36 0.00 0.00 55.97 52.82 2grg s LYS 72 Cb -0.14 -2.18 -0.08 0.00 -1.68 0.00 0.00 37.83 33.75 2grg s LYS 72 CO 0.11 -0.52 2.29 0.00 -0.76 0.00 0.00 175.35 176.47 2grg s ALA 73 N -2.70 1.42 -0.11 5.17 0.00 -1.26 -2.53 121.76 121.77 2grg s ALA 73 Ca 0.39 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2grg s ALA 73 Cb -0.02 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2grg s ALA 73 CO 0.24 -4.86 0.00 0.41 0.00 0.00 0.00 175.76 171.55 2grg n GLY 74 N 6.28 0.34 3.44 0.00 0.00 -1.26 -4.94 105.19 109.05 2grg n GLY 74 Ca 0.38 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.58 0.85 -0.04 1.61 4.02 -1.05 -3.88 115.29 115.22 2grg s HIS 75 Ca 0.00 -1.11 0.03 0.00 1.02 0.00 0.00 55.06 55.00 2grg s HIS 75 Cb 0.00 -0.14 0.00 0.00 -1.02 0.00 0.00 32.58 31.43 2grg s HIS 75 CO 0.00 -0.94 -0.14 -0.06 1.02 0.00 0.00 174.74 174.63 2grg s PHE 76 N -3.74 1.42 -0.03 1.40 0.08 -0.82 -0.20 117.98 116.08 2grg s PHE 76 Ca 0.30 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.95 2grg s PHE 76 Cb 0.02 -0.99 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 2grg s PHE 76 CO 0.14 -0.17 -0.08 0.42 -0.10 0.00 0.00 175.22 175.43 2grg s ILE 77 N 0.23 0.75 -0.37 0.64 1.01 -0.80 0.62 121.20 123.28 2grg s ILE 77 Ca -0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 2grg s ILE 77 Cb -0.12 -0.68 0.03 0.00 0.01 0.00 0.00 42.46 41.70 2grg s ILE 77 CO 0.02 0.24 0.20 -0.69 0.00 0.00 0.00 174.94 174.72 2grg s VAL 78 N 0.35 4.56 -0.21 2.92 1.01 0.83 -0.53 120.40 129.33 2grg s VAL 78 Ca -0.05 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 2grg s VAL 78 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2grg s VAL 78 CO 0.01 -0.21 0.50 -0.31 0.00 0.00 0.00 175.10 175.08 2grg s TYR 79 N 1.56 3.35 -0.34 5.22 1.51 -0.19 -0.43 117.35 128.03 2grg s TYR 79 Ca 0.02 0.72 -0.15 0.00 -1.01 0.00 0.00 57.07 56.64 2grg s TYR 79 Cb -0.19 -2.65 -0.01 0.00 -0.11 0.00 0.00 41.96 39.00 2grg s TYR 79 CO 0.07 -0.12 0.38 -0.06 -1.11 0.00 0.00 175.55 174.71 2grg s PHE 80 N 1.70 3.21 0.06 2.71 0.40 0.11 -0.72 117.98 125.44 2grg s PHE 80 Ca 0.23 -0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.56 2grg s PHE 80 Cb -0.15 -2.69 -0.04 0.00 0.51 0.00 0.00 43.02 40.64 2grg s PHE 80 CO 0.09 -0.44 0.16 0.95 0.70 0.00 0.00 175.22 176.68 2grg s THR 81 N 2.05 5.06 -0.83 0.64 -4.23 0.44 0.12 115.64 118.88 2grg s THR 81 Ca 0.12 -0.52 -0.06 0.00 -1.18 0.00 0.00 61.69 60.06 2grg s THR 81 Cb -0.16 -3.45 -0.08 0.00 1.34 0.00 0.00 72.50 70.15 2grg s THR 81 CO 0.12 0.15 2.33 -0.81 -0.54 0.00 0.00 174.62 175.87 2grg n PRO 82 N 0.41 2.17 -3.53 3.99 -0.04 -1.26 0.23 135.00 136.97 2grg n PRO 82 Ca -0.07 -1.40 -0.26 0.00 -0.04 0.00 0.00 63.50 61.74 2grg n PRO 82 Cb 0.51 -2.37 0.05 0.00 -0.04 0.00 0.00 33.50 31.66 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 3.79 -1.64 -2.29 0.54 5.02 -1.20 -4.86 118.16 117.52 2grg n LYS 83 Ca 0.46 0.60 -0.39 0.00 -2.02 0.00 0.00 58.31 56.97 2grg n LYS 83 Cb 0.24 -4.74 -0.03 0.00 -0.02 0.00 0.00 35.03 30.49 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 -3.46 5.73 -0.45 4.39 2.47 -1.26 -4.95 114.94 117.41 2grg s ASN 84 Ca 0.46 -0.23 -0.23 0.00 0.42 0.00 0.00 52.86 53.28 2grg s ASN 84 Cb -0.13 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.15 2grg s ASN 84 CO 0.82 -2.12 0.75 -0.54 -3.72 0.00 0.00 177.10 172.29 2grg s LYS 85 N 6.33 3.37 -0.84 0.43 1.02 -1.26 -4.98 119.74 123.81 2grg s LYS 85 Ca 0.52 -0.17 -0.25 0.00 0.02 0.00 0.00 55.97 56.09 2grg s LYS 85 Cb -0.09 -3.94 -0.01 0.00 -0.52 0.00 0.00 37.83 33.27 2grg s LYS 85 CO 0.14 -1.10 1.71 1.21 -0.92 0.00 0.00 175.35 176.39 2grg s ASN 86 N 2.12 5.64 -0.09 2.83 3.84 -1.26 -4.69 114.94 123.32 2grg s ASN 86 Ca 0.28 -0.61 0.12 0.00 0.21 0.00 0.00 52.86 52.86 2grg s ASN 86 Cb -0.13 -2.56 -0.18 0.00 -0.55 0.00 0.00 41.25 37.84 2grg s ASN 86 CO 0.22 -2.24 0.12 -1.14 -2.79 0.00 0.00 177.10 171.27 2grg n ARG 87 N 9.01 1.45 -3.49 0.43 0.63 -1.26 -5.05 116.66 118.39 2grg n ARG 87 Ca 0.29 -0.04 -0.11 0.00 -0.92 0.00 0.00 57.85 57.06 2grg n ARG 87 Cb 0.49 -1.33 -0.03 0.00 0.45 0.00 0.00 32.46 32.04 2grg n ARG 87 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2grg s GLU 88 N -2.51 0.98 0.00 -0.14 2.12 -1.26 -5.11 118.70 112.78 2grg s GLU 88 Ca -0.06 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.05 2grg s GLU 88 Cb 0.05 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.90 2grg s GLU 88 CO 0.54 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 2grg n GLY 89 N 0.00 0.89 3.55 -1.50 0.00 -1.26 -4.81 105.19 102.06 2grg n GLY 89 Ca -0.13 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 3.60 -0.14 1.61 1.01 -1.26 -4.98 120.40 120.23 2grg s VAL 90 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 2grg s VAL 90 Cb 0.00 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2grg s VAL 90 CO 0.00 -1.51 0.43 0.54 0.00 0.00 0.00 175.10 174.56 2grg s VAL 91 N 7.00 5.21 0.07 2.92 0.11 -1.26 -5.01 120.40 129.44 2grg s VAL 91 Ca 0.48 0.83 -0.31 0.00 -2.93 0.00 0.00 61.98 60.05 2grg s VAL 91 Cb -0.09 -3.77 -0.07 0.00 -1.53 0.00 0.00 36.38 30.92 2grg s VAL 91 CO 0.15 0.32 1.44 -2.16 -3.33 0.00 0.00 175.10 171.51 2grg s PRO 92 N 0.74 4.29 0.00 1.54 0.04 -1.26 -5.05 135.00 135.30 2grg s PRO 92 Ca 0.23 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2grg s PRO 92 Cb -0.15 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2grg s PRO 92 CO 0.08 -0.54 0.00 -0.35 0.04 0.00 0.00 177.00 176.24 2grg n PRO 93 N 4.72 0.99 0.00 0.56 -0.04 -1.26 -4.77 135.00 135.20 2grg n PRO 93 Ca 0.13 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.56 2grg n PRO 93 Cb 0.42 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.87 2grg n PRO 93 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2grg n VAL 94 N -1.08 0.89 -2.97 0.52 0.31 -1.26 -4.91 118.33 109.83 2grg n VAL 94 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 2grg n VAL 94 Cb 0.00 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 2.95 -1.90 2.38 2.92 0.00 -1.26 -4.96 105.19 105.32 2grg n GLY 95 Ca -0.06 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.82 -0.61 2.08 -1.26 -4.35 119.36 112.41 2grg n ILE 96 Ca 0.00 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 2grg n ILE 96 Cb 0.00 -1.27 -0.03 0.00 -0.75 0.00 0.00 39.64 37.60 2grg n ILE 96 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2grg n THR 97 N -2.62 -8.01 1.59 1.39 -2.24 -1.26 -5.32 114.28 97.80 2grg n THR 97 Ca -0.11 1.61 0.14 0.00 -2.27 0.00 0.00 64.05 63.43 2grg n THR 97 Cb 0.38 -4.93 0.60 0.00 -2.10 0.00 0.00 70.33 64.28 2grg n THR 97 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04