#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 -3.16 -1.25 2.12 4.76 -1.26 -4.81 118.16 114.57 2grg n LYS 2 Ca 0.00 0.53 0.04 0.00 -2.87 0.00 0.00 58.31 56.01 2grg n LYS 2 Cb 0.00 -5.22 0.09 0.00 -1.84 0.00 0.00 35.03 28.06 2grg n LYS 2 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2grg n SER 3 N -2.14 1.41 -4.58 4.39 7.64 -1.26 -5.04 113.62 114.03 2grg n SER 3 Ca -0.06 -2.75 -0.40 0.00 1.01 0.00 0.00 58.87 56.66 2grg n SER 3 Cb 0.57 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 2grg n SER 3 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2grg s SER 4 N -2.59 5.12 -0.06 6.43 1.04 -1.26 -4.90 113.70 117.48 2grg s SER 4 Ca 0.36 1.36 0.05 0.00 0.48 0.00 0.00 55.95 58.19 2grg s SER 4 Cb 0.38 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.98 2grg s SER 4 CO -0.12 -2.31 -0.21 -0.63 0.98 0.00 0.00 173.24 170.95 2grg s ILE 5 N 9.63 1.78 0.80 -1.02 1.01 -1.26 -4.47 121.20 127.67 2grg s ILE 5 Ca 0.93 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 2grg s ILE 5 Cb -0.24 -1.52 0.08 0.00 0.01 0.00 0.00 42.46 40.79 2grg s ILE 5 CO 0.30 0.50 1.12 -2.16 0.00 0.00 0.00 174.94 174.70 2grg s PRO 6 N -0.01 1.92 0.45 2.79 0.04 -1.26 -2.01 135.00 136.92 2grg s PRO 6 Ca -0.06 1.35 0.17 0.00 0.04 0.00 0.00 61.00 62.51 2grg s PRO 6 Cb -0.13 -1.85 1.04 0.00 0.04 0.00 0.00 34.50 33.60 2grg s PRO 6 CO 0.04 -1.92 1.97 0.97 0.04 0.00 0.00 177.00 178.09 2grg h ILE 7 N -1.19 1.01 -0.01 0.56 6.09 -1.93 -1.96 117.51 120.08 2grg h ILE 7 Ca -0.44 -0.78 0.00 0.00 -1.37 0.00 0.00 64.86 62.28 2grg h ILE 7 Cb 1.25 1.44 -0.00 0.00 0.47 0.00 0.00 36.82 39.97 2grg h ILE 7 CO 0.48 0.21 0.06 0.00 -3.07 0.00 0.00 178.15 175.84 2grg h THR 8 N 0.00 0.11 0.00 2.19 1.03 -1.92 0.17 112.91 114.48 2grg h THR 8 Ca -0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 66.41 66.02 2grg h THR 8 Cb 0.42 0.94 -0.06 0.00 -1.07 0.00 0.00 68.15 68.38 2grg h THR 8 CO 0.03 0.00 -2.36 -0.62 -0.01 0.00 0.00 175.52 172.56 2grg n GLU 9 N -3.21 0.56 0.00 0.00 -0.58 -0.78 -4.56 120.64 112.08 2grg n GLU 9 Ca -0.03 0.17 -0.08 0.00 -0.42 0.00 0.00 57.16 56.81 2grg n GLU 9 Cb 0.13 -1.44 0.09 0.00 -0.57 0.00 0.00 31.44 29.66 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 -0.34 1.31 0.41 2.62 2.07 -1.08 -2.86 116.25 118.38 2grg h VAL 10 Ca -0.57 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 2grg h VAL 10 Cb 1.72 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 2grg h VAL 10 CO -0.20 0.51 -0.48 0.25 0.02 0.00 0.00 177.57 177.67 2grg h LEU 11 N 0.44 -1.35 -1.82 2.57 5.85 -0.93 0.20 115.31 120.27 2grg h LEU 11 Ca 0.03 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2grg h LEU 11 Cb 0.96 0.46 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 2grg h LEU 11 CO 0.09 -0.61 -0.14 1.55 -0.34 0.00 0.00 178.44 178.98 2grg h PRO 12 N -0.91 0.00 0.00 5.25 0.13 -1.79 -1.52 132.00 133.16 2grg h PRO 12 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2grg h PRO 12 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2grg h PRO 12 CO -0.10 0.14 -0.05 0.54 -0.23 0.00 0.00 178.00 178.30 2grg n ARG 13 N -3.96 0.08 -2.95 0.86 1.74 -0.93 -4.88 116.66 106.63 2grg n ARG 13 Ca -0.02 0.06 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 2grg n ARG 13 Cb 0.23 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 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 -3.03 3.31 0.00 7.54 0.00 0.66 -4.23 121.76 126.00 2grg s ALA 14 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2grg s ALA 14 Cb 0.17 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.51 2grg s ALA 14 CO 0.57 0.14 0.54 1.33 0.00 0.00 0.00 175.76 178.34 2grg n VAL 15 N -0.87 0.19 -3.60 0.00 0.24 0.13 -4.95 118.33 109.47 2grg n VAL 15 Ca 0.03 -0.53 -0.07 0.00 -2.04 0.00 0.00 64.34 61.73 2grg n VAL 15 Cb 0.54 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.19 -0.38 -0.17 7.63 0.00 -0.92 -1.57 107.32 111.73 2grg s GLY 16 Ca 0.00 0.50 -0.19 0.00 0.00 0.00 0.00 44.72 45.02 2grg s GLY 16 CO 0.00 0.15 0.52 -1.35 0.00 0.00 0.00 173.10 172.43 2grg s SER 17 N -2.72 -0.53 -0.21 1.64 1.04 0.67 0.38 113.70 113.97 2grg s SER 17 Ca 0.07 0.94 -0.02 0.00 0.48 0.00 0.00 55.95 57.42 2grg s SER 17 Cb -0.02 0.95 0.01 0.00 0.10 0.00 0.00 66.02 67.07 2grg s SER 17 CO -0.05 -0.25 -0.10 -0.76 0.98 0.00 0.00 173.24 173.06 2grg s LEU 18 N -0.02 2.68 -0.30 2.42 1.43 0.65 -0.95 118.68 124.59 2grg s LEU 18 Ca -0.02 -0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 2grg s LEU 18 Cb -0.03 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2grg s LEU 18 CO 0.02 -0.03 0.45 -0.89 0.23 0.00 0.00 176.35 176.13 2grg s THR 19 N 1.38 5.10 0.18 5.49 2.01 0.37 -0.19 115.64 129.98 2grg s THR 19 Ca 0.04 0.50 0.08 0.00 0.31 0.00 0.00 61.69 62.63 2grg s THR 19 Cb -0.14 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2grg s THR 19 CO -0.07 -0.02 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.42 2grg s PHE 20 N 2.23 2.70 0.47 4.92 0.40 0.16 0.63 117.98 129.48 2grg s PHE 20 Ca 0.17 -0.20 -0.02 0.00 -0.60 0.00 0.00 56.93 56.28 2grg s PHE 20 Cb -0.16 -1.31 0.10 0.00 0.51 0.00 0.00 43.02 42.16 2grg s PHE 20 CO 0.11 0.52 0.64 -0.40 0.70 0.00 0.00 175.22 176.79 2grg n ASP 21 N -0.04 0.65 0.29 1.36 5.75 -0.25 -1.21 116.55 123.10 2grg n ASP 21 Ca -0.10 -1.60 0.18 0.00 -0.01 0.00 0.00 54.79 53.26 2grg n ASP 21 Cb 0.55 -0.43 0.80 0.00 -1.03 0.00 0.00 41.12 41.01 2grg n ASP 21 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2grg h GLU 22 N 0.00 0.00 -0.47 0.11 4.11 -1.92 0.18 114.58 116.59 2grg h GLU 22 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2grg h GLU 22 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2grg h GLU 22 CO 0.21 0.02 0.00 0.09 0.07 0.00 0.00 179.01 179.40 2grg n ASN 23 N -3.14 2.91 -1.91 3.06 3.02 -1.26 -4.94 115.26 112.99 2grg n ASN 23 Ca -0.00 -1.96 -0.13 0.00 -0.03 0.00 0.00 54.58 52.46 2grg n ASN 23 Cb 0.25 -0.31 0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2grg n ASN 23 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2grg n TYR 24 N 1.10 -1.23 -3.68 3.10 4.01 0.05 -5.02 117.16 115.49 2grg n TYR 24 Ca 0.19 0.35 -0.37 0.00 -0.16 0.00 0.00 57.90 57.91 2grg n TYR 24 Cb 0.48 -3.07 -0.07 0.00 -0.31 0.00 0.00 39.34 36.37 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 -2.90 6.46 -0.03 7.72 0.01 -1.26 -4.79 114.94 120.15 2grg s ASN 25 Ca 0.20 0.54 -0.30 0.00 -0.71 0.00 0.00 52.86 52.60 2grg s ASN 25 Cb -0.09 -2.14 -0.08 0.00 0.41 0.00 0.00 41.25 39.35 2grg s ASN 25 CO 0.25 0.27 2.04 -0.11 -1.51 0.00 0.00 177.10 178.04 2grg n LEU 26 N 2.65 3.93 -0.11 0.60 7.94 -1.26 -1.09 117.00 129.66 2grg n LEU 26 Ca -0.16 0.72 -0.20 0.00 -1.11 0.00 0.00 56.01 55.27 2grg n LEU 26 Cb 0.53 -1.53 -0.07 0.00 0.53 0.00 0.00 43.42 42.88 2grg n LEU 26 CO 0.36 -0.03 -1.05 0.18 -1.11 0.00 0.00 177.39 175.74 2grg n LEU 27 N 8.61 1.94 -4.03 -1.96 4.77 0.20 -4.95 117.00 121.59 2grg n LEU 27 Ca 0.23 0.35 -0.14 0.00 -0.03 0.00 0.00 56.01 56.41 2grg n LEU 27 Cb 0.42 -0.79 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 2grg n LEU 27 CO 0.68 0.16 -0.40 -0.62 -1.33 0.00 0.00 177.39 175.87 2grg s ASP 28 N -6.72 0.79 -0.13 -1.43 2.15 -0.96 -5.00 116.67 105.37 2grg s ASP 28 Ca -0.33 -0.41 0.01 0.00 0.43 0.00 0.00 52.55 52.25 2grg s ASP 28 Cb 0.09 0.00 0.02 0.00 -0.30 0.00 0.00 42.92 42.73 2grg s ASP 28 CO 0.46 -0.12 -0.15 -0.89 -0.17 0.00 0.00 175.17 174.30 2grg s THR 29 N -0.99 1.57 0.05 1.71 2.01 -1.26 -0.48 115.64 118.26 2grg s THR 29 Ca -0.06 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2grg s THR 29 Cb -0.08 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2grg s THR 29 CO 0.00 0.46 -0.06 -0.55 -0.69 0.00 0.00 174.62 173.78 2grg s SER 30 N 1.20 0.80 0.20 3.53 0.15 -0.12 -4.81 113.70 114.64 2grg s SER 30 Ca -0.02 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.92 2grg s SER 30 Cb -0.14 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 2grg s SER 30 CO -0.06 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2grg n GLY 31 N 0.93 -0.46 0.31 9.45 0.00 -1.26 -0.24 105.19 113.92 2grg n GLY 31 Ca -0.19 -1.09 0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.63 -1.88 116.25 116.42 2grg h VAL 32 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2grg h VAL 32 Cb 0.00 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2grg h VAL 32 CO 0.00 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.60 2grg h ALA 33 N 2.01 1.00 0.00 1.67 0.00 -1.82 -0.87 119.26 121.25 2grg h ALA 33 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2grg h ALA 33 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2grg h ALA 33 CO 0.00 -0.00 -0.76 0.87 0.00 0.00 0.00 179.25 179.36 2grg h LYS 34 N 0.00 0.00 0.00 0.00 1.57 -1.52 -3.22 116.57 113.39 2grg h LYS 34 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2grg h LYS 34 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2grg h LYS 34 CO 0.00 0.76 -1.82 1.33 -0.57 0.00 0.00 179.45 179.15 2grg n VAL 35 N -3.55 0.67 -2.18 0.50 0.24 -0.41 -4.93 118.33 108.68 2grg n VAL 35 Ca -0.00 -0.63 -0.40 0.00 -2.04 0.00 0.00 64.34 61.26 2grg n VAL 35 Cb 0.76 -0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.78 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 -3.13 2.86 0.35 1.34 1.01 -0.75 -4.96 121.20 117.93 2grg s ILE 36 Ca -0.06 0.83 -0.28 0.00 0.00 0.00 0.00 60.65 61.13 2grg s ILE 36 Cb 0.10 -3.51 -0.10 0.00 0.01 0.00 0.00 42.46 38.96 2grg s ILE 36 CO 0.85 0.16 1.36 -1.83 0.00 0.00 0.00 174.94 175.48 2grg s GLU 37 N -1.93 4.26 -1.09 2.79 -1.05 -1.26 -4.92 118.70 115.51 2grg s GLU 37 Ca 0.51 2.31 -0.18 0.00 -0.15 0.00 0.00 54.97 57.47 2grg s GLU 37 Cb -0.37 -3.02 0.11 0.00 -0.44 0.00 0.00 34.13 30.41 2grg s GLU 37 CO 0.48 -0.31 1.39 0.15 0.95 0.00 0.00 175.26 177.93 2grg s LYS 38 N -1.91 3.79 0.83 -4.83 3.01 -1.26 -5.00 119.74 114.38 2grg s LYS 38 Ca 0.50 -1.87 -0.12 0.00 -1.01 0.00 0.00 55.97 53.48 2grg s LYS 38 Cb -0.42 -5.17 0.11 0.00 -1.01 0.00 0.00 37.83 31.35 2grg s LYS 38 CO 0.56 -1.96 1.19 -1.54 0.51 0.00 0.00 175.35 174.11 2grg s SER 39 N 3.84 4.14 -0.11 2.83 1.04 -1.26 -4.90 113.70 119.29 2grg s SER 39 Ca 0.42 0.53 -0.03 0.00 0.48 0.00 0.00 55.95 57.36 2grg s SER 39 Cb -0.02 -0.91 -0.09 0.00 0.10 0.00 0.00 66.02 65.10 2grg s SER 39 CO -0.04 -2.10 1.73 -0.81 0.98 0.00 0.00 173.24 173.00 2grg n PRO 40 N -3.37 0.89 0.27 4.02 -0.04 -1.26 -4.49 135.00 131.03 2grg n PRO 40 Ca 0.10 -0.52 0.12 0.00 -0.04 0.00 0.00 63.50 63.17 2grg n PRO 40 Cb 0.60 -1.80 0.78 0.00 -0.04 0.00 0.00 33.50 33.05 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 2.78 0.67 -0.58 0.52 2.04 -1.95 -1.88 117.51 119.11 2grg h ILE 41 Ca 0.12 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.84 2grg h ILE 41 Cb 0.51 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2grg h ILE 41 CO 0.55 0.06 0.39 0.00 0.00 0.00 0.00 178.15 179.14 2grg h ALA 42 N 1.94 2.00 -0.60 1.87 0.00 -1.87 0.22 119.26 122.82 2grg h ALA 42 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2grg h ALA 42 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2grg h ALA 42 CO 0.01 -0.12 -0.03 1.49 0.00 0.00 0.00 179.25 180.60 2grg h GLU 43 N 0.41 1.08 0.00 0.00 4.57 -1.72 -2.56 114.58 116.36 2grg h GLU 43 Ca 0.26 -0.36 -0.17 0.00 -1.18 0.00 0.00 59.36 57.91 2grg h GLU 43 Cb 0.50 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2grg h GLU 43 CO -0.07 1.06 -0.82 0.82 -1.18 0.00 0.00 179.01 178.82 2grg h ILE 44 N 0.97 1.47 -0.27 2.32 1.08 -1.02 -2.81 117.51 119.25 2grg h ILE 44 Ca 0.17 -2.94 -0.01 0.00 -0.39 0.00 0.00 64.86 61.69 2grg h ILE 44 Cb 0.60 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.97 2grg h ILE 44 CO 0.04 0.81 0.13 0.40 -0.69 0.00 0.00 178.15 178.83 2grg h ILE 45 N 0.00 1.15 -0.59 -0.67 2.04 -0.53 0.11 117.51 119.02 2grg h ILE 45 Ca -0.01 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.33 2grg h ILE 45 Cb 1.57 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 2grg h ILE 45 CO 0.11 0.15 -0.02 0.08 0.00 0.00 0.00 178.15 178.46 2grg h ARG 46 N 0.30 1.06 -0.27 2.37 0.11 -1.49 0.15 114.38 116.61 2grg h ARG 46 Ca 0.09 -0.35 0.02 0.00 0.10 0.00 0.00 59.98 59.84 2grg h ARG 46 Cb 0.12 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 2grg h ARG 46 CO -0.01 1.04 0.13 0.87 0.10 0.00 0.00 179.97 182.11 2grg h LYS 47 N 0.96 0.27 0.00 0.08 1.57 -1.28 -1.75 116.57 116.42 2grg h LYS 47 Ca 0.17 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2grg h LYS 47 Cb 0.58 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2grg h LYS 47 CO 0.03 0.18 -0.11 0.77 -0.57 0.00 0.00 179.45 179.75 2grg h SER 48 N 0.28 0.00 0.01 0.86 0.02 -0.42 -1.56 113.55 112.74 2grg h SER 48 Ca 0.11 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2grg h SER 48 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2grg h SER 48 CO -0.08 0.11 -0.26 -1.13 -1.14 0.00 0.00 176.83 174.33 2grg h ASN 49 N 0.00 0.40 1.70 3.07 -1.24 0.18 0.43 115.58 120.12 2grg h ASN 49 Ca -0.00 -0.13 -0.03 0.00 0.71 0.00 0.00 56.30 56.85 2grg h ASN 49 Cb 0.52 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.46 2grg h ASN 49 CO 0.01 0.66 -0.30 0.00 -1.29 0.00 0.00 177.43 176.51 2grg h ALA 50 N 1.38 0.85 0.19 1.57 0.00 -0.88 -3.32 119.26 119.05 2grg h ALA 50 Ca 0.05 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 2grg h ALA 50 Cb 0.65 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.45 2grg h ALA 50 CO 0.05 0.19 -1.38 0.93 0.00 0.00 0.00 179.25 179.04 2grg h GLU 51 N 0.00 0.41 0.00 0.00 4.39 -0.67 -3.49 114.58 115.22 2grg h GLU 51 Ca -0.01 -0.70 -0.23 0.00 0.34 0.00 0.00 59.36 58.77 2grg h GLU 51 Cb 1.12 0.26 -0.06 0.00 -0.10 0.00 0.00 28.75 29.97 2grg h GLU 51 CO 0.02 1.33 -0.18 1.47 -1.16 0.00 0.00 179.01 180.49 2grg n LEU 52 N -3.62 0.00 0.00 1.33 -0.00 0.08 -5.08 117.00 109.71 2grg n LEU 52 Ca -0.13 -1.80 0.00 0.00 -0.00 0.00 0.00 56.01 54.08 2grg n LEU 52 Cb 1.07 1.27 0.00 0.00 -0.00 0.00 0.00 43.42 45.75 2grg n LEU 52 CO 0.57 -0.35 0.00 0.61 -0.00 0.00 0.00 177.39 178.22 2grg n GLY 53 N -0.36 0.68 0.95 1.47 0.00 -1.26 -4.61 105.19 102.06 2grg n GLY 53 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 2.40 -2.78 1.61 3.00 -1.26 -3.16 116.66 116.46 2grg n ARG 54 Ca 0.00 -1.61 -0.22 0.00 -0.00 0.00 0.00 57.85 56.02 2grg n ARG 54 Cb 0.00 -1.53 0.03 0.00 0.00 0.00 0.00 32.46 30.95 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 -1.19 3.43 -0.37 6.15 2.01 -1.26 -3.83 118.68 123.63 2grg s LEU 55 Ca 0.29 0.13 -0.02 0.00 0.01 0.00 0.00 54.13 54.54 2grg s LEU 55 Cb 0.18 -3.01 0.09 0.00 0.01 0.00 0.00 46.19 43.46 2grg s LEU 55 CO 0.16 -0.95 0.13 -0.83 1.01 0.00 0.00 176.35 175.86 2grg s GLY 56 N -4.33 1.92 0.09 -3.19 0.00 -0.85 -4.32 107.32 96.62 2grg s GLY 56 Ca 0.53 -2.31 -0.26 0.00 0.00 0.00 0.00 44.72 42.69 2grg s GLY 56 CO 0.38 0.92 0.79 -0.47 0.00 0.00 0.00 173.10 174.72 2grg s TYR 57 N 1.15 3.80 -0.39 1.90 5.04 -1.16 -4.37 117.35 123.31 2grg s TYR 57 Ca 0.05 1.56 -0.28 0.00 -2.44 0.00 0.00 57.07 55.95 2grg s TYR 57 Cb -0.21 -2.83 -0.01 0.00 0.35 0.00 0.00 41.96 39.26 2grg s TYR 57 CO -0.04 0.34 1.72 -1.54 -1.34 0.00 0.00 175.55 174.69 2grg s SER 58 N -0.39 5.89 -0.20 4.32 1.04 -1.26 -0.46 113.70 122.65 2grg s SER 58 Ca 0.38 1.03 0.12 0.00 0.48 0.00 0.00 55.95 57.96 2grg s SER 58 Cb -0.22 -2.53 -0.23 0.00 0.10 0.00 0.00 66.02 63.15 2grg s SER 58 CO 0.25 -1.75 0.05 1.33 0.98 0.00 0.00 173.24 174.09 2grg n VAL 59 N 7.30 1.46 -3.69 5.02 0.24 0.76 -4.83 118.33 124.60 2grg n VAL 59 Ca 0.21 -0.76 -0.29 0.00 -2.04 0.00 0.00 64.34 61.46 2grg n VAL 59 Cb 0.48 -0.86 -0.15 0.00 -1.47 0.00 0.00 33.84 31.83 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 1.21 -0.30 6.34 5.04 -1.18 -4.96 117.35 120.98 2grg s TYR 60 Ca -0.17 -1.30 -0.13 0.00 -2.44 0.00 0.00 57.07 53.02 2grg s TYR 60 Cb 0.07 -1.34 -0.04 0.00 0.35 0.00 0.00 41.96 41.00 2grg s TYR 60 CO 0.76 -0.79 0.27 -2.00 -1.34 0.00 0.00 175.55 172.45 2grg s GLU 61 N 1.79 3.84 0.07 4.97 2.12 -1.26 0.51 118.70 130.75 2grg s GLU 61 Ca 0.07 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.12 2grg s GLU 61 Cb -0.17 -3.70 0.01 0.00 0.26 0.00 0.00 34.13 30.53 2grg s GLU 61 CO -0.23 -0.30 0.08 -3.47 -0.54 0.00 0.00 175.26 170.80 2grg n ASP 62 N 5.19 0.72 0.15 -1.70 2.03 0.61 -5.01 116.55 118.53 2grg n ASP 62 Ca -0.12 -1.22 0.12 0.00 0.52 0.00 0.00 54.79 54.10 2grg n ASP 62 Cb 0.51 -0.03 0.15 0.00 -0.72 0.00 0.00 41.12 41.03 2grg n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2grg h ALA 63 N 0.59 0.78 0.00 -1.67 0.00 -2.03 -3.39 119.26 113.55 2grg h ALA 63 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2grg h ALA 63 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2grg h ALA 63 CO 0.06 0.00 -1.53 1.04 0.00 0.00 0.00 179.25 178.82 2grg n GLN 64 N -2.71 0.48 -4.40 0.00 6.02 -1.26 -5.04 117.38 110.47 2grg n GLN 64 Ca 0.03 0.20 -0.20 0.00 -0.01 0.00 0.00 57.00 57.02 2grg n GLN 64 Cb 0.51 -1.32 -0.10 0.00 1.02 0.00 0.00 30.24 30.35 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 -2.62 1.83 -0.08 1.08 2.02 -1.26 -3.60 117.35 114.72 2grg s TYR 65 Ca -0.29 -0.75 0.01 0.00 -0.37 0.00 0.00 57.07 55.67 2grg s TYR 65 Cb 0.08 -1.05 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 2grg s TYR 65 CO 0.39 0.20 -0.09 0.42 -1.57 0.00 0.00 175.55 174.90 2grg s ILE 66 N -3.12 0.98 0.12 2.71 1.01 0.13 -0.28 121.20 122.75 2grg s ILE 66 Ca 0.29 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 2grg s ILE 66 Cb 0.04 -0.96 -0.07 0.00 0.01 0.00 0.00 42.46 41.48 2grg s ILE 66 CO 0.11 0.34 0.56 -0.83 0.00 0.00 0.00 174.94 175.12 2grg s GLY 67 N 1.21 2.53 -0.10 6.18 0.00 0.18 -0.35 107.32 116.98 2grg s GLY 67 Ca -0.05 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.62 2grg s GLY 67 CO -0.02 0.27 -0.12 0.30 0.00 0.00 0.00 173.10 173.52 2grg s HIS 68 N -1.35 1.73 -0.16 1.90 0.09 0.46 -0.17 115.29 117.79 2grg s HIS 68 Ca 0.35 -0.81 -0.28 0.00 -0.00 0.00 0.00 55.06 54.32 2grg s HIS 68 Cb -0.17 -1.30 -0.01 0.00 -0.00 0.00 0.00 32.58 31.11 2grg s HIS 68 CO 0.19 -0.45 0.96 0.00 -0.00 0.00 0.00 174.74 175.43 2grg s ALA 69 N 1.14 3.52 -0.04 -1.40 0.00 0.40 -0.38 121.76 124.99 2grg s ALA 69 Ca -0.05 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.17 2grg s ALA 69 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 2grg s ALA 69 CO -0.03 -0.75 -0.18 -0.06 0.00 0.00 0.00 175.76 174.74 2grg s PHE 70 N 2.41 2.58 -0.29 0.00 0.40 0.64 -2.98 117.98 120.75 2grg s PHE 70 Ca 0.44 -0.28 -0.27 0.00 -0.60 0.00 0.00 56.93 56.22 2grg s PHE 70 Cb -0.17 -1.59 0.01 0.00 0.51 0.00 0.00 43.02 41.78 2grg s PHE 70 CO 0.13 0.09 0.97 0.15 0.70 0.00 0.00 175.22 177.25 2grg s LYS 71 N -0.64 4.10 0.36 0.44 3.01 -1.19 -1.81 119.74 124.00 2grg s LYS 71 Ca 0.10 1.01 0.03 0.00 -1.01 0.00 0.00 55.97 56.09 2grg s LYS 71 Cb -0.11 -3.70 0.03 0.00 -1.01 0.00 0.00 37.83 33.04 2grg s LYS 71 CO 0.00 -0.74 0.23 1.63 0.51 0.00 0.00 175.35 176.98 2grg n LYS 72 N 6.47 0.99 -1.79 1.68 4.76 0.49 -4.75 118.16 126.03 2grg n LYS 72 Ca 0.09 -2.29 -0.19 0.00 -2.87 0.00 0.00 58.31 53.05 2grg n LYS 72 Cb 0.47 0.31 -0.06 0.00 -1.84 0.00 0.00 35.03 33.91 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 -2.53 1.11 0.00 7.82 0.00 -1.26 -2.60 121.76 124.30 2grg s ALA 73 Ca 0.17 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2grg s ALA 73 Cb -0.01 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.53 2grg s ALA 73 CO 0.11 -5.49 0.00 0.41 0.00 0.00 0.00 175.76 170.79 2grg n GLY 74 N 6.78 0.36 3.29 0.00 0.00 -1.26 -4.96 105.19 109.40 2grg n GLY 74 Ca 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.84 1.47 -0.15 1.61 4.02 -1.07 -3.77 115.29 115.56 2grg s HIS 75 Ca 0.00 -1.36 -0.00 0.00 1.02 0.00 0.00 55.06 54.72 2grg s HIS 75 Cb 0.00 -0.77 0.03 0.00 -1.02 0.00 0.00 32.58 30.83 2grg s HIS 75 CO 0.00 -0.55 -0.07 -0.06 1.02 0.00 0.00 174.74 175.08 2grg s PHE 76 N -3.79 1.68 -0.05 1.40 0.08 -0.35 -0.38 117.98 116.57 2grg s PHE 76 Ca 0.38 -0.98 0.06 0.00 0.12 0.00 0.00 56.93 56.50 2grg s PHE 76 Cb 0.06 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.18 2grg s PHE 76 CO 0.16 -0.59 -0.23 0.42 -0.10 0.00 0.00 175.22 174.89 2grg s ILE 77 N 1.64 1.85 -0.36 0.64 1.01 -0.75 0.38 121.20 125.62 2grg s ILE 77 Ca 0.03 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 2grg s ILE 77 Cb -0.14 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.77 2grg s ILE 77 CO -0.08 0.52 0.20 -0.69 0.00 0.00 0.00 174.94 174.89 2grg s VAL 78 N -0.12 4.66 -0.26 2.92 1.01 0.73 -0.26 120.40 129.10 2grg s VAL 78 Ca -0.03 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 2grg s VAL 78 Cb -0.13 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2grg s VAL 78 CO 0.03 -0.14 0.62 -0.31 0.00 0.00 0.00 175.10 175.31 2grg s TYR 79 N 1.59 3.28 -0.27 5.22 1.51 0.48 -0.25 117.35 128.91 2grg s TYR 79 Ca 0.03 0.80 -0.16 0.00 -1.01 0.00 0.00 57.07 56.73 2grg s TYR 79 Cb -0.18 -2.84 -0.03 0.00 -0.11 0.00 0.00 41.96 38.79 2grg s TYR 79 CO 0.07 -0.33 0.43 -0.06 -1.11 0.00 0.00 175.55 174.55 2grg s PHE 80 N 2.50 3.25 0.15 2.71 0.40 0.16 -0.41 117.98 126.74 2grg s PHE 80 Ca 0.26 0.48 0.07 0.00 -0.60 0.00 0.00 56.93 57.14 2grg s PHE 80 Cb -0.15 -2.63 -0.04 0.00 0.51 0.00 0.00 43.02 40.70 2grg s PHE 80 CO 0.09 -0.26 -0.01 0.95 0.70 0.00 0.00 175.22 176.69 2grg s THR 81 N 2.16 3.75 -0.62 0.64 -4.23 0.53 0.22 115.64 118.09 2grg s THR 81 Ca 0.17 -1.32 -0.05 0.00 -1.18 0.00 0.00 61.69 59.31 2grg s THR 81 Cb -0.16 -2.86 -0.11 0.00 1.34 0.00 0.00 72.50 70.72 2grg s THR 81 CO 0.10 -0.05 2.40 -0.81 -0.54 0.00 0.00 174.62 175.72 2grg n PRO 82 N 0.09 1.97 -3.18 3.99 -0.04 -1.26 0.22 135.00 136.78 2grg n PRO 82 Ca -0.10 -1.22 -0.11 0.00 -0.04 0.00 0.00 63.50 62.04 2grg n PRO 82 Cb 0.54 -2.23 0.01 0.00 -0.04 0.00 0.00 33.50 31.77 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 3.49 -1.72 0.08 0.54 5.02 -1.24 -4.89 118.16 119.44 2grg n LYS 83 Ca 0.42 1.54 -0.04 0.00 -2.02 0.00 0.00 58.31 58.20 2grg n LYS 83 Cb 0.34 -4.75 -0.08 0.00 -0.02 0.00 0.00 35.03 30.52 2grg n LYS 83 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 2grg h ASN 84 N 0.93 0.00 0.00 4.39 -1.07 -1.92 -3.48 115.58 114.43 2grg h ASN 84 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.20 2grg h ASN 84 Cb 1.11 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.36 2grg h ASN 84 CO 0.28 0.85 0.00 0.29 0.07 0.00 0.00 177.43 178.92 2grg n LYS 85 N -3.31 0.00 0.16 4.14 5.02 -1.26 -4.17 118.16 118.74 2grg n LYS 85 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2grg n LYS 85 Cb 0.88 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.89 2grg n LYS 85 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2grg n ASN 86 N 2.82 -2.84 0.00 4.39 2.85 -1.26 -4.88 115.26 116.35 2grg n ASN 86 Ca 0.00 0.61 0.00 0.00 -0.11 0.00 0.00 54.58 55.08 2grg n ASN 86 Cb 0.00 2.80 0.00 0.00 1.24 0.00 0.00 39.78 43.82 2grg n ASN 86 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2grg n ARG 87 N -3.13 0.00 -3.89 1.20 0.63 -1.26 -4.62 116.66 105.59 2grg n ARG 87 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 2grg n ARG 87 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 2grg n ARG 87 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2grg s GLU 88 N 0.00 1.01 0.00 -0.14 2.02 -1.26 -5.13 118.70 115.20 2grg s GLU 88 Ca 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.95 2grg s GLU 88 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.60 2grg s GLU 88 CO 0.00 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2grg n GLY 89 N -0.15 0.56 3.56 -1.39 0.00 -1.26 -4.98 105.19 101.53 2grg n GLY 89 Ca -0.12 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.62 3.83 -0.44 1.61 1.01 -1.26 -4.94 120.40 116.59 2grg s VAL 90 Ca 0.00 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 2grg s VAL 90 Cb 0.00 -4.84 0.02 0.00 0.00 0.00 0.00 36.38 31.56 2grg s VAL 90 CO 0.00 -1.71 0.64 0.54 0.00 0.00 0.00 175.10 174.57 2grg s VAL 91 N 6.20 4.83 -0.16 2.92 0.11 -1.26 -4.45 120.40 128.60 2grg s VAL 91 Ca 0.53 0.08 -0.27 0.00 -2.93 0.00 0.00 61.98 59.39 2grg s VAL 91 Cb -0.01 -4.21 -0.01 0.00 -1.53 0.00 0.00 36.38 30.63 2grg s VAL 91 CO -0.05 -0.60 0.91 -2.16 -3.33 0.00 0.00 175.10 169.87 2grg s PRO 92 N 2.80 4.33 -0.83 1.54 0.04 -1.26 -4.99 135.00 136.62 2grg s PRO 92 Ca 0.22 1.17 -0.25 0.00 0.04 0.00 0.00 61.00 62.17 2grg s PRO 92 Cb -0.14 -3.57 0.01 0.00 0.04 0.00 0.00 34.50 30.84 2grg s PRO 92 CO 0.19 -0.35 1.55 -2.14 0.04 0.00 0.00 177.00 176.28 2grg s PRO 93 N 2.21 3.10 -0.01 0.56 0.02 -1.26 -4.98 135.00 134.64 2grg s PRO 93 Ca 0.42 -0.37 -0.30 0.00 0.02 0.00 0.00 61.00 60.77 2grg s PRO 93 Cb -0.17 -4.73 -0.03 0.00 0.02 0.00 0.00 34.50 29.59 2grg s PRO 93 CO 0.13 -2.48 1.01 0.54 -0.33 0.00 0.00 177.00 175.87 2grg s VAL 94 N 6.84 4.76 0.05 3.83 0.11 -1.26 -4.88 120.40 129.84 2grg s VAL 94 Ca 0.50 1.99 0.00 0.00 -2.93 0.00 0.00 61.98 61.54 2grg s VAL 94 Cb -0.06 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.51 2grg s VAL 94 CO 0.06 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 2grg n GLY 95 N 2.97 -0.04 3.60 6.54 0.00 -1.26 -5.00 105.19 112.01 2grg n GLY 95 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2grg n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2grg s ILE 96 N -2.00 4.27 0.00 -0.61 1.01 -1.26 -4.68 121.20 117.93 2grg s ILE 96 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2grg s ILE 96 Cb 0.00 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.91 2grg s ILE 96 CO 0.00 -0.93 0.00 0.41 0.00 0.00 0.00 174.94 174.42 2grg n THR 97 N 6.69 0.00 1.33 2.92 -1.04 -1.26 -5.17 114.28 117.76 2grg n THR 97 Ca 0.11 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.26 2grg n THR 97 Cb 0.49 -0.22 0.38 0.00 -1.82 0.00 0.00 70.33 69.16 2grg n THR 97 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02