#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 4.39 -0.30 0.03 -0.14 -1.26 -4.99 119.74 117.46 2grg s LYS 2 Ca 0.00 1.65 -0.10 0.00 -1.36 0.00 0.00 55.97 56.16 2grg s LYS 2 Cb 0.00 -3.51 0.17 0.00 -1.68 0.00 0.00 37.83 32.80 2grg s LYS 2 CO 0.00 -0.37 0.82 0.45 -0.76 0.00 0.00 175.35 175.48 2grg s SER 3 N 1.34 -0.91 -0.52 2.83 0.15 -1.26 -5.11 113.70 110.22 2grg s SER 3 Ca 0.55 0.91 -0.18 0.00 0.70 0.00 0.00 55.95 57.93 2grg s SER 3 Cb -0.25 1.90 0.07 0.00 -1.71 0.00 0.00 66.02 66.04 2grg s SER 3 CO 0.23 -0.17 0.60 -0.44 1.20 0.00 0.00 173.24 174.66 2grg s SER 4 N 2.76 6.20 -0.02 5.45 0.01 -1.26 -4.79 113.70 122.05 2grg s SER 4 Ca 0.03 -1.11 -0.18 0.00 1.31 0.00 0.00 55.95 55.99 2grg s SER 4 Cb -0.11 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 2grg s SER 4 CO -0.18 -0.90 0.51 -0.63 0.41 0.00 0.00 173.24 172.45 2grg s ILE 5 N 2.46 4.98 0.78 1.44 1.01 -1.18 -4.54 121.20 126.16 2grg s ILE 5 Ca 0.12 1.06 -0.11 0.00 0.00 0.00 0.00 60.65 61.72 2grg s ILE 5 Cb -0.21 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.48 2grg s ILE 5 CO 0.10 0.46 1.11 -2.16 0.00 0.00 0.00 174.94 174.44 2grg s PRO 6 N -0.35 2.08 0.42 2.79 0.04 -1.26 -0.07 135.00 138.64 2grg s PRO 6 Ca 0.27 1.29 0.20 0.00 0.04 0.00 0.00 61.00 62.81 2grg s PRO 6 Cb -0.17 -1.87 0.89 0.00 0.04 0.00 0.00 34.50 33.39 2grg s PRO 6 CO 0.15 -1.80 1.84 0.97 0.04 0.00 0.00 177.00 178.20 2grg h ILE 7 N -1.10 0.83 -0.00 0.56 6.09 -1.93 -2.27 117.51 119.69 2grg h ILE 7 Ca -0.44 -1.20 0.00 0.00 -1.37 0.00 0.00 64.86 61.85 2grg h ILE 7 Cb 1.24 1.73 -0.00 0.00 0.47 0.00 0.00 36.82 40.27 2grg h ILE 7 CO 0.50 0.29 0.00 0.00 -3.07 0.00 0.00 178.15 175.87 2grg h THR 8 N 0.00 0.13 0.00 2.19 1.03 -1.93 0.86 112.91 115.19 2grg h THR 8 Ca -0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 66.41 65.97 2grg h THR 8 Cb 0.71 1.00 -0.06 0.00 -1.07 0.00 0.00 68.15 68.73 2grg h THR 8 CO 0.04 0.00 -2.35 -0.62 -0.01 0.00 0.00 175.52 172.58 2grg n GLU 9 N -3.27 0.59 0.03 0.00 -0.58 -0.88 -4.61 120.64 111.92 2grg n GLU 9 Ca -0.03 0.30 -0.07 0.00 -0.42 0.00 0.00 57.16 56.94 2grg n GLU 9 Cb 0.07 -1.53 0.11 0.00 -0.57 0.00 0.00 31.44 29.52 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 -0.90 1.33 0.28 2.62 2.07 -1.21 -2.78 116.25 117.66 2grg h VAL 10 Ca -0.64 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.16 2grg h VAL 10 Cb 1.60 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 2grg h VAL 10 CO -0.36 0.52 -0.42 0.25 0.02 0.00 0.00 177.57 177.59 2grg h LEU 11 N 0.35 -1.19 -1.42 2.57 5.85 -1.09 0.16 115.31 120.55 2grg h LEU 11 Ca 0.02 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 2grg h LEU 11 Cb 0.99 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2grg h LEU 11 CO 0.09 -0.50 -0.25 1.55 -0.34 0.00 0.00 178.44 178.98 2grg h PRO 12 N -0.73 0.00 -0.19 5.25 0.13 -1.80 -2.86 132.00 131.80 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 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2grg h PRO 12 CO -0.12 0.25 0.00 0.54 -0.23 0.00 0.00 178.00 178.44 2grg n ARG 13 N -3.68 1.78 -3.24 0.86 1.74 -0.97 -4.90 116.66 108.24 2grg n ARG 13 Ca -0.01 -1.17 -0.27 0.00 -0.77 0.00 0.00 57.85 55.63 2grg n ARG 13 Cb 0.37 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.76 3.61 0.00 7.54 0.00 0.53 -4.39 121.76 127.29 2grg s ALA 14 Ca 0.32 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2grg s ALA 14 Cb 0.17 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2grg s ALA 14 CO 0.26 0.07 0.54 1.33 0.00 0.00 0.00 175.76 177.96 2grg n VAL 15 N -1.39 0.18 -3.56 0.00 0.24 0.11 -4.96 118.33 108.95 2grg n VAL 15 Ca -0.02 -0.52 -0.08 0.00 -2.04 0.00 0.00 64.34 61.67 2grg n VAL 15 Cb 0.55 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.91 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 -0.18 -0.43 -0.14 7.63 0.00 -0.77 -1.26 107.32 112.18 2grg s GLY 16 Ca 0.00 0.56 -0.15 0.00 0.00 0.00 0.00 44.72 45.13 2grg s GLY 16 CO 0.00 0.18 0.41 -1.35 0.00 0.00 0.00 173.10 172.34 2grg s SER 17 N -2.69 -0.41 -0.23 1.64 1.04 0.71 0.21 113.70 113.97 2grg s SER 17 Ca 0.06 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.23 2grg s SER 17 Cb -0.02 0.78 0.03 0.00 0.10 0.00 0.00 66.02 66.91 2grg s SER 17 CO -0.07 -0.20 -0.11 -0.76 0.98 0.00 0.00 173.24 173.09 2grg s LEU 18 N -0.02 2.97 -0.36 2.42 1.43 0.78 -0.77 118.68 125.13 2grg s LEU 18 Ca -0.02 -0.93 -0.19 0.00 -1.03 0.00 0.00 54.13 51.96 2grg s LEU 18 Cb -0.03 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2grg s LEU 18 CO 0.01 -0.11 0.54 -0.89 0.23 0.00 0.00 176.35 176.13 2grg s THR 19 N 1.27 4.99 0.23 5.49 2.01 0.76 -0.33 115.64 130.05 2grg s THR 19 Ca -0.01 0.32 0.07 0.00 0.31 0.00 0.00 61.69 62.39 2grg s THR 19 Cb -0.16 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2grg s THR 19 CO -0.07 -0.27 0.11 -0.36 -0.69 0.00 0.00 174.62 173.35 2grg s PHE 20 N 2.46 2.98 0.74 4.92 0.40 0.14 0.81 117.98 130.44 2grg s PHE 20 Ca 0.19 -0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2grg s PHE 20 Cb -0.15 -1.37 0.14 0.00 0.51 0.00 0.00 43.02 42.15 2grg s PHE 20 CO 0.14 0.54 1.02 0.16 0.70 0.00 0.00 175.22 177.78 2grg s ASP 21 N -3.56 4.23 0.61 1.36 -4.77 0.16 -2.02 116.67 112.68 2grg s ASP 21 Ca 0.31 -0.46 0.39 0.00 -3.30 0.00 0.00 52.55 49.49 2grg s ASP 21 Cb -0.08 0.16 1.89 0.00 -1.09 0.00 0.00 42.92 43.80 2grg s ASP 21 CO 0.23 -1.96 2.18 1.05 0.70 0.00 0.00 175.17 177.37 2grg h GLU 22 N -0.59 0.00 -0.62 2.11 9.09 -1.91 -0.01 114.58 122.66 2grg h GLU 22 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.06 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 0.01 0.00 0.09 0.05 0.00 0.00 179.01 179.53 2grg n ASN 23 N -3.11 3.67 -1.51 3.06 3.02 -1.26 -4.92 115.26 114.21 2grg n ASN 23 Ca -0.01 -2.24 -0.13 0.00 -0.03 0.00 0.00 54.58 52.17 2grg n ASN 23 Cb 0.19 -0.48 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 0.99 -0.69 -3.70 3.10 4.01 -0.02 -5.01 117.16 115.84 2grg n TYR 24 Ca 0.20 0.05 -0.37 0.00 -0.16 0.00 0.00 57.90 57.63 2grg n TYR 24 Cb 0.66 -2.83 -0.06 0.00 -0.31 0.00 0.00 39.34 36.79 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 -2.50 6.51 -0.07 7.72 0.01 -1.26 -4.82 114.94 120.53 2grg s ASN 25 Ca 0.03 0.61 -0.30 0.00 -0.71 0.00 0.00 52.86 52.49 2grg s ASN 25 Cb -0.01 -2.14 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 2grg s ASN 25 CO 0.04 0.32 1.52 -0.22 -1.51 0.00 0.00 177.10 177.25 2grg s LEU 26 N -0.69 4.29 -0.27 0.60 2.96 -1.26 -0.66 118.68 123.64 2grg s LEU 26 Ca 0.17 2.10 -0.13 0.00 -0.22 0.00 0.00 54.13 56.05 2grg s LEU 26 Cb -0.13 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.90 2grg s LEU 26 CO 0.06 -0.85 -0.34 0.18 -1.32 0.00 0.00 176.35 174.08 2grg n LEU 27 N 6.67 1.90 -3.95 -0.68 4.77 0.24 -4.94 117.00 121.01 2grg n LEU 27 Ca 0.16 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.32 2grg n LEU 27 Cb 0.43 -0.79 -0.14 0.00 -2.33 0.00 0.00 43.42 40.60 2grg n LEU 27 CO 0.60 0.56 -0.39 -0.62 -1.33 0.00 0.00 177.39 176.22 2grg s ASP 28 N -7.39 0.45 -0.19 -1.43 2.15 -0.84 -4.99 116.67 104.43 2grg s ASP 28 Ca -0.37 -0.14 0.01 0.00 0.43 0.00 0.00 52.55 52.48 2grg s ASP 28 Cb 0.14 -0.03 0.03 0.00 -0.30 0.00 0.00 42.92 42.77 2grg s ASP 28 CO 0.47 -0.00 -0.14 -0.89 -0.17 0.00 0.00 175.17 174.44 2grg s THR 29 N -0.29 1.79 0.09 1.71 2.01 -1.26 -0.17 115.64 119.53 2grg s THR 29 Ca -0.01 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.06 2grg s THR 29 Cb -0.03 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 2grg s THR 29 CO -0.00 0.31 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.69 2grg s SER 30 N 1.36 1.53 0.31 3.53 0.01 0.05 -4.79 113.70 115.70 2grg s SER 30 Ca 0.01 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2grg s SER 30 Cb -0.15 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2grg s SER 30 CO -0.10 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2grg n GLY 31 N 0.72 0.31 0.19 3.44 0.00 -1.26 -0.21 105.19 108.39 2grg n GLY 31 Ca -0.17 -0.91 0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.52 -2.61 116.25 115.80 2grg h VAL 32 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2grg h VAL 32 Cb 0.00 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 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 -1.88 1.19 0.09 1.67 0.00 -1.17 -1.32 120.51 119.08 2grg n ALA 33 Ca 0.01 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 2grg n ALA 33 Cb 0.19 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 0.17 0.00 0.00 1.57 -1.65 -3.29 116.57 113.36 2grg h LYS 34 Ca 0.00 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 2grg h LYS 34 Cb 0.08 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2grg h LYS 34 CO 0.00 0.96 -1.73 1.33 -0.57 0.00 0.00 179.45 179.45 2grg n VAL 35 N -3.61 0.47 -2.42 0.50 0.24 -0.44 -4.88 118.33 108.19 2grg n VAL 35 Ca -0.03 -0.58 -0.38 0.00 -2.04 0.00 0.00 64.34 61.31 2grg n VAL 35 Cb 0.83 -0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.94 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 -3.28 3.42 0.62 1.34 1.01 -0.53 -5.01 121.20 118.77 2grg s ILE 36 Ca -0.06 1.17 -0.18 0.00 0.00 0.00 0.00 60.65 61.58 2grg s ILE 36 Cb 0.11 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 2grg s ILE 36 CO 0.86 0.09 1.23 -1.83 0.00 0.00 0.00 174.94 175.28 2grg s GLU 37 N -2.29 2.82 0.10 2.79 -1.05 -1.26 -4.88 118.70 114.93 2grg s GLU 37 Ca 0.56 1.87 -0.11 0.00 -0.15 0.00 0.00 54.97 57.14 2grg s GLU 37 Cb -0.27 -1.90 -0.16 0.00 -0.44 0.00 0.00 34.13 31.35 2grg s GLU 37 CO 0.34 -1.34 1.26 0.87 0.95 0.00 0.00 175.26 177.35 2grg h LYS 38 N 0.71 0.64 -2.70 -4.83 6.56 -1.95 -3.50 116.57 111.51 2grg h LYS 38 Ca -0.50 -0.63 0.27 0.00 -1.06 0.00 0.00 60.65 58.72 2grg h LYS 38 Cb 1.31 0.17 -0.15 0.00 -0.57 0.00 0.00 32.23 32.98 2grg h LYS 38 CO 0.54 1.24 -0.99 0.45 -2.06 0.00 0.00 179.45 178.63 2grg n SER 39 N -3.85 -6.03 -1.94 0.86 2.88 -1.26 -4.09 113.62 100.19 2grg n SER 39 Ca -0.09 1.13 -0.04 0.00 -1.33 0.00 0.00 58.87 58.54 2grg n SER 39 Cb 0.83 -3.83 -0.06 0.00 -0.75 0.00 0.00 64.21 60.40 2grg n SER 39 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2grg n PRO 40 N -3.81 0.99 0.27 -1.46 -0.02 -1.26 -4.51 135.00 125.20 2grg n PRO 40 Ca -0.07 -0.35 0.11 0.00 -2.02 0.00 0.00 63.50 61.17 2grg n PRO 40 Cb 0.53 -1.52 0.73 0.00 -0.02 0.00 0.00 33.50 33.22 2grg n PRO 40 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2grg h ILE 41 N 1.89 0.80 -0.74 4.25 2.04 -1.96 -1.89 117.51 121.90 2grg h ILE 41 Ca 0.07 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 65.91 2grg h ILE 41 Cb 0.83 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 2grg h ILE 41 CO 0.17 0.04 0.49 0.00 0.00 0.00 0.00 178.15 178.85 2grg h ALA 42 N 1.96 2.03 -0.38 1.87 0.00 -1.90 0.41 119.26 123.25 2grg h ALA 42 Ca -0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2grg h ALA 42 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2grg h ALA 42 CO 0.00 -0.22 -0.18 1.49 0.00 0.00 0.00 179.25 180.35 2grg h GLU 43 N 0.47 0.71 0.00 0.00 4.57 -1.73 -2.07 114.58 116.53 2grg h GLU 43 Ca 0.36 -0.26 -0.17 0.00 -1.18 0.00 0.00 59.36 58.10 2grg h GLU 43 Cb 0.73 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 2grg h GLU 43 CO -0.12 0.84 -0.92 0.82 -1.18 0.00 0.00 179.01 178.46 2grg h ILE 44 N 0.63 1.19 -0.41 2.32 1.08 -0.85 -2.83 117.51 118.65 2grg h ILE 44 Ca 0.10 -2.76 -0.03 0.00 -0.39 0.00 0.00 64.86 61.78 2grg h ILE 44 Cb 0.65 2.57 -0.02 0.00 -3.07 0.00 0.00 36.82 36.95 2grg h ILE 44 CO 0.05 0.68 0.14 0.40 -0.69 0.00 0.00 178.15 178.73 2grg h ILE 45 N 0.00 1.21 -0.57 -0.67 2.04 -0.08 0.14 117.51 119.58 2grg h ILE 45 Ca -0.05 -0.67 -0.10 0.00 1.00 0.00 0.00 64.86 65.04 2grg h ILE 45 Cb 1.63 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 2grg h ILE 45 CO 0.09 0.24 -0.04 0.08 0.00 0.00 0.00 178.15 178.52 2grg h ARG 46 N 0.52 1.03 0.00 2.37 0.11 -1.43 0.12 114.38 117.10 2grg h ARG 46 Ca 0.13 -0.35 -0.00 0.00 0.10 0.00 0.00 59.98 59.87 2grg h ARG 46 Cb 0.23 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2grg h ARG 46 CO -0.01 1.04 -0.00 0.87 0.10 0.00 0.00 179.97 181.97 2grg h LYS 47 N 0.92 -0.00 0.00 0.08 1.57 -1.27 -2.38 116.57 115.48 2grg h LYS 47 Ca 0.16 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2grg h LYS 47 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2grg h LYS 47 CO 0.04 0.02 -0.26 0.66 -0.57 0.00 0.00 179.45 179.34 2grg h SER 48 N -0.03 0.00 -0.21 0.86 4.64 -0.61 -1.73 113.55 116.49 2grg h SER 48 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2grg h SER 48 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2grg h SER 48 CO 0.00 0.26 -0.05 -1.13 -0.87 0.00 0.00 176.83 175.04 2grg h ASN 49 N 0.00 0.51 1.29 4.97 -1.24 -0.28 0.15 115.58 120.98 2grg h ASN 49 Ca -0.00 -0.11 -0.15 0.00 0.71 0.00 0.00 56.30 56.75 2grg h ASN 49 Cb 0.62 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 2grg h ASN 49 CO 0.03 0.61 -0.71 0.00 -1.29 0.00 0.00 177.43 176.08 2grg h ALA 50 N 1.45 0.55 -0.08 1.57 0.00 -0.93 -3.33 119.26 118.49 2grg h ALA 50 Ca 0.10 -0.64 -0.19 0.00 0.00 0.00 0.00 54.91 54.18 2grg h ALA 50 Cb 0.40 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2grg h ALA 50 CO 0.02 0.88 -0.68 0.93 0.00 0.00 0.00 179.25 180.40 2grg h GLU 51 N 0.00 0.60 0.00 0.00 4.39 -0.59 -3.48 114.58 115.50 2grg h GLU 51 Ca -0.01 -0.54 -0.50 0.00 0.34 0.00 0.00 59.36 58.65 2grg h GLU 51 Cb 1.54 0.13 -0.13 0.00 -0.10 0.00 0.00 28.75 30.19 2grg h GLU 51 CO 0.09 1.16 -0.48 1.47 -1.16 0.00 0.00 179.01 180.09 2grg n LEU 52 N -4.09 0.00 0.10 1.33 -0.00 0.44 -5.08 117.00 109.70 2grg n LEU 52 Ca -0.09 -3.23 0.00 0.00 -0.00 0.00 0.00 56.01 52.69 2grg n LEU 52 Cb 0.70 1.58 0.00 0.00 -0.00 0.00 0.00 43.42 45.70 2grg n LEU 52 CO 0.50 -0.53 -0.02 0.61 -0.00 0.00 0.00 177.39 177.94 2grg n GLY 53 N -0.70 -0.21 0.06 1.47 0.00 -1.26 -4.55 105.19 99.99 2grg n GLY 53 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.36 0.43 -2.66 1.61 3.00 -1.26 -3.68 116.66 110.73 2grg n ARG 54 Ca 0.00 0.01 -0.22 0.00 -0.00 0.00 0.00 57.85 57.65 2grg n ARG 54 Cb 0.02 -1.66 0.06 0.00 0.00 0.00 0.00 32.46 30.89 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 -4.43 3.17 -0.22 6.15 2.01 -1.26 -4.15 118.68 119.94 2grg s LEU 55 Ca 0.01 -0.21 0.01 0.00 0.01 0.00 0.00 54.13 53.95 2grg s LEU 55 Cb 0.13 -2.46 0.04 0.00 0.01 0.00 0.00 46.19 43.90 2grg s LEU 55 CO 0.81 -1.40 -0.14 -0.83 1.01 0.00 0.00 176.35 175.80 2grg s GLY 56 N -4.55 1.54 0.04 -3.19 0.00 0.90 -4.40 107.32 97.66 2grg s GLY 56 Ca 0.61 -1.48 -0.19 0.00 0.00 0.00 0.00 44.72 43.66 2grg s GLY 56 CO 0.40 0.46 0.54 -0.47 0.00 0.00 0.00 173.10 174.02 2grg s TYR 57 N 1.23 3.76 -0.33 1.90 5.04 -1.05 -3.10 117.35 124.80 2grg s TYR 57 Ca -0.01 1.19 -0.28 0.00 -2.44 0.00 0.00 57.07 55.52 2grg s TYR 57 Cb -0.16 -2.48 -0.03 0.00 0.35 0.00 0.00 41.96 39.65 2grg s TYR 57 CO -0.08 0.54 1.89 -1.12 -1.34 0.00 0.00 175.55 175.44 2grg s SER 58 N -0.87 5.74 -0.21 4.32 0.01 -1.26 -0.29 113.70 121.14 2grg s SER 58 Ca 0.28 1.34 0.11 0.00 1.31 0.00 0.00 55.95 58.99 2grg s SER 58 Cb -0.18 -2.52 -0.20 0.00 0.21 0.00 0.00 66.02 63.32 2grg s SER 58 CO 0.17 -1.82 -0.05 1.33 0.41 0.00 0.00 173.24 173.28 2grg n VAL 59 N 7.48 1.34 -3.76 3.43 0.24 0.99 -4.84 118.33 123.21 2grg n VAL 59 Ca 0.24 -0.69 -0.30 0.00 -2.04 0.00 0.00 64.34 61.55 2grg n VAL 59 Cb 0.47 -0.85 -0.15 0.00 -1.47 0.00 0.00 33.84 31.84 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 -2.47 1.90 -0.28 6.34 5.04 -1.10 -4.97 117.35 121.81 2grg s TYR 60 Ca -0.19 -1.85 -0.10 0.00 -2.44 0.00 0.00 57.07 52.49 2grg s TYR 60 Cb 0.07 -1.83 -0.03 0.00 0.35 0.00 0.00 41.96 40.52 2grg s TYR 60 CO 0.69 -0.88 0.15 -2.00 -1.34 0.00 0.00 175.55 172.17 2grg s GLU 61 N 1.55 3.67 0.39 4.97 2.12 -1.26 0.53 118.70 130.66 2grg s GLU 61 Ca 0.10 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.01 2grg s GLU 61 Cb -0.17 -3.55 -0.07 0.00 0.26 0.00 0.00 34.13 30.59 2grg s GLU 61 CO -0.23 -0.26 -0.03 0.34 -0.54 0.00 0.00 175.26 174.54 2grg s ASP 62 N 1.68 3.80 0.57 -1.70 2.15 0.29 -5.01 116.67 118.44 2grg s ASP 62 Ca 0.06 -1.31 0.36 0.00 0.43 0.00 0.00 52.55 52.09 2grg s ASP 62 Cb -0.16 -0.38 1.66 0.00 -0.30 0.00 0.00 42.92 43.74 2grg s ASP 62 CO 0.08 -0.37 2.08 0.00 -0.17 0.00 0.00 175.17 176.79 2grg h ALA 63 N 1.86 1.00 0.00 3.66 0.00 -2.03 -3.25 119.26 120.50 2grg h ALA 63 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2grg h ALA 63 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2grg h ALA 63 CO 0.77 0.00 -0.54 1.04 0.00 0.00 0.00 179.25 180.52 2grg n GLN 64 N -3.04 0.45 -4.28 0.00 6.02 -1.26 -5.00 117.38 110.27 2grg n GLN 64 Ca -0.00 0.50 -0.15 0.00 -0.01 0.00 0.00 57.00 57.33 2grg n GLN 64 Cb 0.23 -1.65 -0.10 0.00 1.02 0.00 0.00 30.24 29.73 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 -2.28 1.38 -0.08 1.08 2.02 -1.23 -3.85 117.35 114.40 2grg s TYR 65 Ca -0.16 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.61 2grg s TYR 65 Cb 0.02 -0.78 0.02 0.00 -0.40 0.00 0.00 41.96 40.82 2grg s TYR 65 CO 0.23 -0.09 -0.06 0.42 -1.57 0.00 0.00 175.55 174.48 2grg s ILE 66 N -3.50 0.75 0.05 2.71 1.01 0.11 -0.55 121.20 121.78 2grg s ILE 66 Ca 0.25 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 2grg s ILE 66 Cb 0.05 -0.79 -0.06 0.00 0.01 0.00 0.00 42.46 41.68 2grg s ILE 66 CO 0.06 0.30 0.44 -0.83 0.00 0.00 0.00 174.94 174.91 2grg s GLY 67 N 1.36 2.45 -0.08 6.18 0.00 0.19 -0.28 107.32 117.13 2grg s GLY 67 Ca -0.03 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.48 2grg s GLY 67 CO -0.03 0.07 -0.17 0.30 0.00 0.00 0.00 173.10 173.27 2grg s HIS 68 N -1.25 1.90 -0.17 1.90 0.09 0.18 -0.00 115.29 117.94 2grg s HIS 68 Ca 0.29 -0.75 -0.24 0.00 -0.00 0.00 0.00 55.06 54.36 2grg s HIS 68 Cb -0.16 -1.33 -0.02 0.00 -0.00 0.00 0.00 32.58 31.08 2grg s HIS 68 CO 0.16 -0.34 0.79 0.00 -0.00 0.00 0.00 174.74 175.36 2grg s ALA 69 N 0.55 3.52 -0.05 -1.40 0.00 0.60 -0.80 121.76 124.18 2grg s ALA 69 Ca -0.16 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 51.83 2grg s ALA 69 Cb -0.17 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2grg s ALA 69 CO 0.06 -0.63 -0.18 -0.06 0.00 0.00 0.00 175.76 174.94 2grg s PHE 70 N 2.10 2.59 -0.32 0.00 0.40 0.31 -2.53 117.98 120.54 2grg s PHE 70 Ca 0.37 -0.31 -0.27 0.00 -0.60 0.00 0.00 56.93 56.11 2grg s PHE 70 Cb -0.16 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.77 2grg s PHE 70 CO 0.12 0.07 0.98 0.15 0.70 0.00 0.00 175.22 177.24 2grg s LYS 71 N -0.58 4.02 0.39 0.44 3.01 -1.24 -1.83 119.74 123.95 2grg s LYS 71 Ca 0.08 0.89 0.04 0.00 -1.01 0.00 0.00 55.97 55.98 2grg s LYS 71 Cb -0.11 -3.74 0.04 0.00 -1.01 0.00 0.00 37.83 33.01 2grg s LYS 71 CO 0.01 -0.84 0.36 1.63 0.51 0.00 0.00 175.35 177.02 2grg n LYS 72 N 6.66 0.87 -1.77 1.68 4.76 0.80 -4.86 118.16 126.30 2grg n LYS 72 Ca 0.09 -2.34 -0.24 0.00 -2.87 0.00 0.00 58.31 52.95 2grg n LYS 72 Cb 0.47 0.15 -0.05 0.00 -1.84 0.00 0.00 35.03 33.76 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 1.32 -0.87 7.82 0.00 -1.26 -2.53 121.76 123.70 2grg s ALA 73 Ca 0.27 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2grg s ALA 73 Cb -0.02 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.60 2grg s ALA 73 CO 0.17 -5.10 0.00 0.41 0.00 0.00 0.00 175.76 171.25 2grg n GLY 74 N 6.55 0.93 3.31 0.00 0.00 -1.26 -4.95 105.19 109.77 2grg n GLY 74 Ca 0.40 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.05 1.11 -0.12 1.61 4.02 -1.05 -3.81 115.29 115.01 2grg s HIS 75 Ca 0.00 -1.31 -0.00 0.00 1.02 0.00 0.00 55.06 54.77 2grg s HIS 75 Cb 0.00 -0.41 0.03 0.00 -1.02 0.00 0.00 32.58 31.17 2grg s HIS 75 CO 0.00 -0.78 -0.08 -0.06 1.02 0.00 0.00 174.74 174.83 2grg s PHE 76 N -3.92 1.57 -0.05 1.40 0.08 -0.86 -0.14 117.98 116.07 2grg s PHE 76 Ca 0.36 -0.82 0.04 0.00 0.12 0.00 0.00 56.93 56.63 2grg s PHE 76 Cb 0.04 -1.28 -0.00 0.00 -0.57 0.00 0.00 43.02 41.21 2grg s PHE 76 CO 0.15 -0.54 -0.18 0.42 -0.10 0.00 0.00 175.22 174.97 2grg s ILE 77 N 1.68 1.50 -0.37 0.64 1.01 -0.76 0.28 121.20 125.18 2grg s ILE 77 Ca 0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 2grg s ILE 77 Cb -0.13 -1.30 0.03 0.00 0.01 0.00 0.00 42.46 41.07 2grg s ILE 77 CO -0.08 0.43 0.21 -0.69 0.00 0.00 0.00 174.94 174.80 2grg s VAL 78 N 0.16 4.59 -0.24 2.92 1.01 0.55 -0.53 120.40 128.87 2grg s VAL 78 Ca -0.07 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 2grg s VAL 78 Cb -0.13 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2grg s VAL 78 CO 0.03 -0.22 0.57 -0.31 0.00 0.00 0.00 175.10 175.18 2grg s TYR 79 N 1.56 3.31 -0.29 5.22 1.51 0.02 -0.16 117.35 128.52 2grg s TYR 79 Ca 0.02 0.77 -0.17 0.00 -1.01 0.00 0.00 57.07 56.68 2grg s TYR 79 Cb -0.19 -2.76 -0.02 0.00 -0.11 0.00 0.00 41.96 38.87 2grg s TYR 79 CO 0.07 -0.25 0.47 -0.06 -1.11 0.00 0.00 175.55 174.67 2grg s PHE 80 N 2.19 3.23 0.15 2.71 0.40 0.13 -0.64 117.98 126.16 2grg s PHE 80 Ca 0.25 0.42 0.06 0.00 -0.60 0.00 0.00 56.93 57.06 2grg s PHE 80 Cb -0.16 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.60 2grg s PHE 80 CO 0.09 -0.34 0.04 0.95 0.70 0.00 0.00 175.22 176.66 2grg s THR 81 N 2.25 4.01 -1.22 0.64 -4.23 0.61 0.09 115.64 117.79 2grg s THR 81 Ca 0.18 -1.24 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 2grg s THR 81 Cb -0.16 -3.00 -0.07 0.00 1.34 0.00 0.00 72.50 70.61 2grg s THR 81 CO 0.11 -0.06 2.46 -0.81 -0.54 0.00 0.00 174.62 175.77 2grg n PRO 82 N -0.05 2.75 -3.52 3.99 -0.04 -1.26 0.04 135.00 136.91 2grg n PRO 82 Ca -0.09 -1.81 -0.23 0.00 -0.04 0.00 0.00 63.50 61.32 2grg n PRO 82 Cb 0.54 -2.64 0.04 0.00 -0.04 0.00 0.00 33.50 31.40 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 4.13 -1.44 -1.91 0.54 5.02 -1.25 -4.92 118.16 118.32 2grg n LYS 83 Ca 0.59 0.72 -0.32 0.00 -2.02 0.00 0.00 58.31 57.28 2grg n LYS 83 Cb 0.19 -4.50 0.02 0.00 -0.02 0.00 0.00 35.03 30.72 2grg n LYS 83 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2grg s ASN 84 N -3.33 5.89 -0.20 4.39 4.22 -1.26 -4.58 114.94 120.06 2grg s ASN 84 Ca 0.36 1.62 -0.07 0.00 -2.14 0.00 0.00 52.86 52.63 2grg s ASN 84 Cb -0.11 -2.50 0.01 0.00 1.28 0.00 0.00 41.25 39.93 2grg s ASN 84 CO 0.83 -1.10 0.26 1.17 -2.04 0.00 0.00 177.10 176.22 2grg n LYS 85 N -2.48 -1.19 -4.19 3.55 0.00 -1.26 -5.05 118.16 107.54 2grg n LYS 85 Ca 0.07 1.31 -0.34 0.00 0.00 0.00 0.00 58.31 59.35 2grg n LYS 85 Cb 0.54 -3.48 -0.13 0.00 0.00 0.00 0.00 35.03 31.95 2grg n LYS 85 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2grg s ASN 86 N -1.69 4.51 -0.10 3.14 3.84 -1.26 -4.80 114.94 118.58 2grg s ASN 86 Ca 0.11 -0.27 -0.05 0.00 0.21 0.00 0.00 52.86 52.85 2grg s ASN 86 Cb -0.03 -1.75 0.02 0.00 -0.55 0.00 0.00 41.25 38.94 2grg s ASN 86 CO 0.37 0.07 0.11 -1.14 -2.79 0.00 0.00 177.10 173.72 2grg n ARG 87 N 4.19 -2.23 -2.23 0.43 3.00 -1.26 -4.80 116.66 113.76 2grg n ARG 87 Ca -0.18 1.94 -0.33 0.00 -0.00 0.00 0.00 57.85 59.28 2grg n ARG 87 Cb 0.52 -3.05 -0.04 0.00 0.00 0.00 0.00 32.46 29.88 2grg n ARG 87 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2grg s GLU 88 N -0.83 2.96 -0.20 -0.14 2.02 -1.26 -4.58 118.70 116.66 2grg s GLU 88 Ca -0.13 -1.44 -0.16 0.00 0.02 0.00 0.00 54.97 53.26 2grg s GLU 88 Cb 0.01 -5.34 -0.12 0.00 0.10 0.00 0.00 34.13 28.78 2grg s GLU 88 CO 0.40 -3.46 -0.06 0.41 0.02 0.00 0.00 175.26 172.56 2grg n GLY 89 N 5.67 -0.76 3.69 -1.39 0.00 -1.26 -4.88 105.19 106.25 2grg n GLY 89 Ca 0.46 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 2grg n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2grg s VAL 90 N -2.42 4.43 0.18 1.61 0.11 -1.26 -5.04 120.40 118.02 2grg s VAL 90 Ca -0.27 1.74 0.11 0.00 -2.93 0.00 0.00 61.98 60.62 2grg s VAL 90 Cb 0.06 -4.12 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 2grg s VAL 90 CO 0.46 -0.01 -0.20 0.68 -3.33 0.00 0.00 175.10 172.70 2grg s VAL 91 N 2.22 2.60 -0.24 2.04 -7.23 -1.26 -5.08 120.40 113.46 2grg s VAL 91 Ca 0.53 -1.87 -0.38 0.00 -1.81 0.00 0.00 61.98 58.45 2grg s VAL 91 Cb -0.22 -2.25 -0.14 0.00 0.56 0.00 0.00 36.38 34.33 2grg s VAL 91 CO 0.20 -0.08 1.80 -0.81 -0.31 0.00 0.00 175.10 175.90 2grg n PRO 92 N 0.31 1.42 -1.80 4.82 -0.04 -1.26 -4.86 135.00 133.59 2grg n PRO 92 Ca -0.13 0.52 -0.38 0.00 -0.04 0.00 0.00 63.50 63.47 2grg n PRO 92 Cb 0.55 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 2grg n PRO 92 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2grg s PRO 93 N 3.82 2.41 0.56 0.54 0.02 -1.26 -4.95 135.00 136.14 2grg s PRO 93 Ca 0.98 1.06 0.06 0.00 0.02 0.00 0.00 61.00 63.11 2grg s PRO 93 Cb -0.97 -4.47 0.05 0.00 0.02 0.00 0.00 34.50 29.13 2grg s PRO 93 CO 0.62 -2.95 0.44 0.14 -0.33 0.00 0.00 177.00 174.92 2grg s VAL 94 N 10.47 1.62 0.00 3.83 -7.23 -1.26 -5.08 120.40 122.75 2grg s VAL 94 Ca 0.83 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2grg s VAL 94 Cb -0.16 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2grg s VAL 94 CO 0.24 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 2grg n GLY 95 N -1.83 0.14 3.83 2.32 0.00 -1.26 -5.15 105.19 103.24 2grg n GLY 95 Ca -0.01 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.26 2grg n GLY 95 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2grg s ILE 96 N 2.51 4.76 0.19 -0.61 -4.36 -1.26 -5.12 121.20 117.32 2grg s ILE 96 Ca 0.00 -0.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.61 2grg s ILE 96 Cb 0.00 -3.37 -0.03 0.00 1.25 0.00 0.00 42.46 40.30 2grg s ILE 96 CO 0.00 0.01 0.33 0.28 0.24 0.00 0.00 174.94 175.80 2grg s THR 97 N -1.59 5.28 -2.50 8.37 -1.32 -1.26 -5.31 115.64 117.31 2grg s THR 97 Ca 0.31 -0.73 0.20 0.00 -1.21 0.00 0.00 61.69 60.26 2grg s THR 97 Cb -0.11 -3.78 0.16 0.00 -1.51 0.00 0.00 72.50 67.25 2grg s THR 97 CO 0.24 -0.19 1.13 -3.20 -2.21 0.00 0.00 174.62 170.39