#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 2.78 -0.62 0.03 2.47 -1.26 -5.04 119.74 118.10 2grg s LYS 2 Ca 0.00 -2.47 -0.20 0.00 -1.56 0.00 0.00 55.97 51.74 2grg s LYS 2 Cb 0.00 -3.89 0.09 0.00 -1.46 0.00 0.00 37.83 32.57 2grg s LYS 2 CO 0.00 -1.20 0.82 -1.54 0.16 0.00 0.00 175.35 173.59 2grg s SER 3 N 1.12 6.18 -0.37 1.43 1.04 -1.26 -4.97 113.70 116.88 2grg s SER 3 Ca 0.16 -1.26 -0.02 0.00 0.48 0.00 0.00 55.95 55.31 2grg s SER 3 Cb -0.18 -2.35 0.09 0.00 0.10 0.00 0.00 66.02 63.68 2grg s SER 3 CO -0.04 -1.25 0.13 -0.44 0.98 0.00 0.00 173.24 172.61 2grg s SER 4 N 3.65 5.10 -0.15 7.02 0.01 -1.26 -4.16 113.70 123.90 2grg s SER 4 Ca 0.16 -1.82 -0.08 0.00 1.31 0.00 0.00 55.95 55.52 2grg s SER 4 Cb -0.21 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 2grg s SER 4 CO 0.08 -0.44 0.12 -0.63 0.41 0.00 0.00 173.24 172.77 2grg s ILE 5 N 1.15 5.32 0.70 1.44 1.01 -1.18 -4.55 121.20 125.09 2grg s ILE 5 Ca 0.05 0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.68 2grg s ILE 5 Cb -0.21 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 38.91 2grg s ILE 5 CO -0.04 0.54 1.25 -2.16 0.00 0.00 0.00 174.94 174.53 2grg s PRO 6 N -0.35 2.28 0.53 2.79 0.04 -1.26 -0.19 135.00 138.83 2grg s PRO 6 Ca 0.11 1.91 0.27 0.00 0.04 0.00 0.00 61.00 63.33 2grg s PRO 6 Cb -0.12 -1.83 1.47 0.00 0.04 0.00 0.00 34.50 34.06 2grg s PRO 6 CO 0.01 -1.77 2.09 0.97 0.04 0.00 0.00 177.00 178.35 2grg h ILE 7 N 0.05 0.59 0.00 0.56 6.09 -1.93 -1.58 117.51 121.28 2grg h ILE 7 Ca -0.49 -0.47 -0.00 0.00 -1.37 0.00 0.00 64.86 62.53 2grg h ILE 7 Cb 1.32 1.30 -0.00 0.00 0.47 0.00 0.00 36.82 39.90 2grg h ILE 7 CO 0.51 0.10 -0.00 0.00 -3.07 0.00 0.00 178.15 175.69 2grg h THR 8 N 0.00 0.03 0.00 2.19 1.03 -1.94 0.26 112.91 114.48 2grg h THR 8 Ca -0.00 -0.09 -0.31 0.00 -0.01 0.00 0.00 66.41 66.00 2grg h THR 8 Cb 0.29 1.09 -0.05 0.00 -1.07 0.00 0.00 68.15 68.41 2grg h THR 8 CO 0.01 0.00 -1.93 -0.62 -0.01 0.00 0.00 175.52 172.97 2grg n GLU 9 N -3.12 0.57 -0.15 0.00 -0.58 -0.64 -4.63 120.64 112.08 2grg n GLU 9 Ca -0.02 0.31 -0.04 0.00 -0.42 0.00 0.00 57.16 56.98 2grg n GLU 9 Cb 0.11 -1.52 0.15 0.00 -0.57 0.00 0.00 31.44 29.61 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 1.24 0.32 2.62 2.07 -1.12 -2.68 116.25 117.70 2grg h VAL 10 Ca -0.47 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 2grg h VAL 10 Cb 1.38 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2grg h VAL 10 CO -0.28 0.34 -0.26 0.25 0.02 0.00 0.00 177.57 177.63 2grg h LEU 11 N 0.84 -0.69 -1.56 2.57 5.85 -0.76 -0.89 115.31 120.66 2grg h LEU 11 Ca 0.17 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 2grg h LEU 11 Cb 0.37 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2grg h LEU 11 CO 0.01 -0.36 -0.22 1.55 -0.34 0.00 0.00 178.44 179.08 2grg h PRO 12 N -0.56 0.00 -0.62 5.25 0.13 -1.78 -2.73 132.00 131.69 2grg h PRO 12 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2grg h PRO 12 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2grg h PRO 12 CO 0.00 0.22 0.00 0.54 -0.23 0.00 0.00 178.00 178.53 2grg n ARG 13 N -3.75 3.11 -3.19 0.86 1.74 -1.01 -4.92 116.66 109.50 2grg n ARG 13 Ca -0.01 -2.25 -0.24 0.00 -0.77 0.00 0.00 57.85 54.57 2grg n ARG 13 Cb 0.32 -1.74 -0.00 0.00 -1.02 0.00 0.00 32.46 30.02 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 -1.74 3.69 0.00 7.54 0.00 -0.35 -4.29 121.76 126.61 2grg s ALA 14 Ca 0.40 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2grg s ALA 14 Cb 0.26 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2grg s ALA 14 CO 0.20 -0.16 0.32 1.33 0.00 0.00 0.00 175.76 177.45 2grg n VAL 15 N -1.92 0.00 -3.67 0.00 0.24 0.13 -4.94 118.33 108.16 2grg n VAL 15 Ca -0.02 -0.41 -0.06 0.00 -2.04 0.00 0.00 64.34 61.81 2grg n VAL 15 Cb 0.57 1.14 -0.02 0.00 -1.47 0.00 0.00 33.84 34.06 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 -0.31 -0.10 7.63 0.00 -0.78 -1.69 107.32 111.89 2grg s GLY 16 Ca 0.00 0.36 -0.19 0.00 0.00 0.00 0.00 44.72 44.89 2grg s GLY 16 CO 0.00 0.10 0.46 -1.35 0.00 0.00 0.00 173.10 172.31 2grg s SER 17 N -2.80 -0.43 -0.22 1.64 1.04 0.14 -0.01 113.70 113.07 2grg s SER 17 Ca 0.09 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.16 2grg s SER 17 Cb -0.02 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.81 2grg s SER 17 CO -0.01 -0.34 -0.14 -0.76 0.98 0.00 0.00 173.24 172.96 2grg s LEU 18 N -0.54 2.78 -0.38 2.42 1.43 0.71 -0.83 118.68 124.28 2grg s LEU 18 Ca -0.07 -0.93 -0.19 0.00 -1.03 0.00 0.00 54.13 51.91 2grg s LEU 18 Cb -0.03 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.65 2grg s LEU 18 CO 0.04 -0.09 0.57 -0.89 0.23 0.00 0.00 176.35 176.21 2grg s THR 19 N 1.24 4.94 0.14 5.49 2.01 0.72 -0.45 115.64 129.73 2grg s THR 19 Ca -0.00 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.30 2grg s THR 19 Cb -0.16 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2grg s THR 19 CO -0.09 -0.37 0.10 -0.36 -0.69 0.00 0.00 174.62 173.22 2grg s PHE 20 N 2.56 3.13 0.80 4.92 0.40 0.19 0.65 117.98 130.62 2grg s PHE 20 Ca 0.20 -0.00 -0.10 0.00 -0.60 0.00 0.00 56.93 56.43 2grg s PHE 20 Cb -0.15 -1.53 0.11 0.00 0.51 0.00 0.00 43.02 41.95 2grg s PHE 20 CO 0.15 0.52 1.13 0.34 0.70 0.00 0.00 175.22 178.06 2grg s ASP 21 N -2.86 4.27 0.57 1.36 2.15 0.12 -1.86 116.67 120.43 2grg s ASP 21 Ca 0.30 0.43 0.32 0.00 0.43 0.00 0.00 52.55 54.03 2grg s ASP 21 Cb -0.11 -0.86 1.72 0.00 -0.30 0.00 0.00 42.92 43.37 2grg s ASP 21 CO 0.22 -1.98 2.17 1.05 -0.17 0.00 0.00 175.17 176.46 2grg h GLU 22 N -0.98 0.00 -0.25 4.34 4.11 -1.90 0.25 114.58 120.15 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 0.55 0.06 0.00 0.09 0.07 0.00 0.00 179.01 179.78 2grg n ASN 23 N -3.54 1.30 -1.94 3.06 3.02 -1.26 -4.88 115.26 111.02 2grg n ASN 23 Ca -0.02 -2.01 -0.16 0.00 -0.03 0.00 0.00 54.58 52.36 2grg n ASN 23 Cb 0.17 -0.17 -0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.19 -0.91 -3.44 3.10 4.01 0.88 -4.99 117.16 116.00 2grg n TYR 24 Ca 0.08 0.08 -0.37 0.00 -0.16 0.00 0.00 57.90 57.52 2grg n TYR 24 Cb 0.21 -3.38 -0.07 0.00 -0.31 0.00 0.00 39.34 35.79 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 -2.37 6.44 -0.10 7.72 0.01 -1.25 -4.75 114.94 120.64 2grg s ASN 25 Ca 0.04 0.52 -0.29 0.00 -0.71 0.00 0.00 52.86 52.42 2grg s ASN 25 Cb -0.02 -2.21 -0.07 0.00 0.41 0.00 0.00 41.25 39.35 2grg s ASN 25 CO 0.05 -0.01 2.11 -0.11 -1.51 0.00 0.00 177.10 177.64 2grg n LEU 26 N 4.10 3.65 -0.12 0.60 7.94 -1.26 0.14 117.00 132.04 2grg n LEU 26 Ca -0.10 0.54 -0.23 0.00 -1.11 0.00 0.00 56.01 55.11 2grg n LEU 26 Cb 0.51 -1.53 -0.08 0.00 0.53 0.00 0.00 43.42 42.85 2grg n LEU 26 CO 0.40 -0.28 -1.12 0.18 -1.11 0.00 0.00 177.39 175.46 2grg n LEU 27 N 9.70 1.94 -3.97 -1.96 4.77 0.21 -4.93 117.00 122.76 2grg n LEU 27 Ca 0.26 0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 56.43 2grg n LEU 27 Cb 0.42 -0.82 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 2grg n LEU 27 CO 0.67 0.30 -0.41 -0.62 -1.33 0.00 0.00 177.39 176.00 2grg s ASP 28 N -6.98 0.77 -0.20 -1.43 2.15 -0.82 -4.99 116.67 105.17 2grg s ASP 28 Ca -0.34 -0.12 0.01 0.00 0.43 0.00 0.00 52.55 52.53 2grg s ASP 28 Cb 0.11 -0.13 0.04 0.00 -0.30 0.00 0.00 42.92 42.64 2grg s ASP 28 CO 0.48 0.06 -0.15 -0.89 -0.17 0.00 0.00 175.17 174.50 2grg s THR 29 N -0.02 1.94 0.10 1.71 2.01 -1.26 -0.20 115.64 119.92 2grg s THR 29 Ca 0.01 -1.11 0.06 0.00 0.31 0.00 0.00 61.69 60.96 2grg s THR 29 Cb -0.04 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2grg s THR 29 CO -0.00 0.30 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.63 2grg s SER 30 N 1.29 1.99 0.54 3.53 0.01 -0.01 -4.79 113.70 116.26 2grg s SER 30 Ca -0.00 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2grg s SER 30 Cb -0.16 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2grg s SER 30 CO -0.10 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2grg n GLY 31 N 0.86 0.81 0.20 3.44 0.00 -1.26 -0.68 105.19 108.55 2grg n GLY 31 Ca -0.18 -0.77 0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.67 -2.33 116.25 115.93 2grg h VAL 32 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2grg h VAL 32 Cb 0.00 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2grg h VAL 32 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2grg h ALA 33 N 2.09 1.00 0.00 1.67 0.00 -1.80 -0.52 119.26 121.71 2grg h ALA 33 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2grg h ALA 33 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2grg h ALA 33 CO 0.00 0.00 -0.13 0.87 0.00 0.00 0.00 179.25 179.99 2grg h LYS 34 N 0.00 0.00 0.00 0.00 1.57 -1.60 -3.23 116.57 113.31 2grg h LYS 34 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2grg h LYS 34 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2grg h LYS 34 CO 0.00 0.13 -1.40 1.33 -0.57 0.00 0.00 179.45 178.94 2grg n VAL 35 N -3.14 0.00 -2.64 0.50 0.24 -0.26 -4.97 118.33 108.06 2grg n VAL 35 Ca 0.03 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.34 61.71 2grg n VAL 35 Cb 0.55 0.44 -0.05 0.00 -1.47 0.00 0.00 33.84 33.32 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 -2.95 4.22 0.46 1.34 1.01 -0.87 -5.03 121.20 119.38 2grg s ILE 36 Ca -0.02 1.31 -0.23 0.00 0.00 0.00 0.00 60.65 61.72 2grg s ILE 36 Cb 0.11 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.95 2grg s ILE 36 CO 0.70 -0.37 1.17 -1.83 0.00 0.00 0.00 174.94 174.61 2grg s GLU 37 N -3.38 3.73 -0.01 2.79 -1.05 -1.26 -4.93 118.70 114.58 2grg s GLU 37 Ca 0.63 1.78 -0.00 0.00 -0.15 0.00 0.00 54.97 57.23 2grg s GLU 37 Cb -0.11 -2.39 -0.00 0.00 -0.44 0.00 0.00 34.13 31.18 2grg s GLU 37 CO 0.19 -0.58 0.06 0.87 0.95 0.00 0.00 175.26 176.75 2grg h LYS 38 N 2.01 -0.01 0.00 -4.83 6.56 -1.96 -3.50 116.57 114.84 2grg h LYS 38 Ca -0.49 0.00 0.29 0.00 -1.06 0.00 0.00 60.65 59.39 2grg h LYS 38 Cb 1.25 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.84 2grg h LYS 38 CO 0.60 -0.01 -0.39 0.43 -2.06 0.00 0.00 179.45 178.03 2grg n SER 39 N -2.44 -6.97 -1.97 0.86 7.64 -1.26 -3.66 113.62 105.82 2grg n SER 39 Ca -0.00 1.15 -0.03 0.00 1.01 0.00 0.00 58.87 61.00 2grg n SER 39 Cb 0.00 -3.23 -0.05 0.00 -1.01 0.00 0.00 64.21 59.92 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 -3.49 0.84 -0.04 1.43 -0.04 -1.26 -4.36 135.00 128.10 2grg n PRO 40 Ca 0.01 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 2grg n PRO 40 Cb 0.49 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.75 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 1.94 1.18 -0.72 0.52 2.04 -1.96 -2.53 117.51 117.98 2grg h ILE 41 Ca 0.05 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.33 2grg h ILE 41 Cb 0.71 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 2grg h ILE 41 CO 0.17 0.24 0.47 0.00 0.00 0.00 0.00 178.15 179.04 2grg h ALA 42 N 1.52 1.70 -0.19 1.87 0.00 -1.88 0.27 119.26 122.54 2grg h ALA 42 Ca 0.14 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2grg h ALA 42 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2grg h ALA 42 CO -0.00 0.19 -0.36 1.49 0.00 0.00 0.00 179.25 180.57 2grg h GLU 43 N 0.76 0.41 0.00 0.00 4.81 -1.81 -2.13 114.58 116.62 2grg h GLU 43 Ca 0.31 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 2grg h GLU 43 Cb 0.24 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2grg h GLU 43 CO -0.10 0.71 -0.69 0.82 -0.73 0.00 0.00 179.01 179.02 2grg h ILE 44 N 0.35 1.37 -0.25 2.32 1.08 -0.86 -2.74 117.51 118.78 2grg h ILE 44 Ca 0.04 -2.48 -0.02 0.00 -0.39 0.00 0.00 64.86 62.01 2grg h ILE 44 Cb 0.79 2.39 -0.01 0.00 -3.07 0.00 0.00 36.82 36.92 2grg h ILE 44 CO 0.06 0.68 0.08 0.40 -0.69 0.00 0.00 178.15 178.68 2grg h ILE 45 N 0.00 1.19 -0.67 -0.67 2.04 -0.09 0.40 117.51 119.71 2grg h ILE 45 Ca -0.01 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 2grg h ILE 45 Cb 1.33 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 2grg h ILE 45 CO 0.09 0.20 0.16 0.08 0.00 0.00 0.00 178.15 178.68 2grg h ARG 46 N 0.23 1.08 -0.15 2.37 0.11 -1.41 0.28 114.38 116.89 2grg h ARG 46 Ca 0.08 -0.26 0.00 0.00 0.10 0.00 0.00 59.98 59.90 2grg h ARG 46 Cb 0.23 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 2grg h ARG 46 CO -0.00 0.97 0.09 0.87 0.10 0.00 0.00 179.97 181.99 2grg h LYS 47 N 1.01 0.18 0.00 0.08 1.57 -1.31 -2.17 116.57 115.92 2grg h LYS 47 Ca 0.21 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2grg h LYS 47 Cb 0.38 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2grg h LYS 47 CO 0.00 0.12 -0.30 0.77 -0.57 0.00 0.00 179.45 179.47 2grg h SER 48 N 0.18 0.00 -0.79 0.86 0.02 -0.67 -2.38 113.55 110.77 2grg h SER 48 Ca 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2grg h SER 48 Cb -0.01 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2grg h SER 48 CO -0.02 0.30 0.47 -1.13 -1.14 0.00 0.00 176.83 175.31 2grg h ASN 49 N 0.00 0.96 1.15 3.07 -1.24 0.18 0.10 115.58 119.80 2grg h ASN 49 Ca -0.00 -0.06 -0.17 0.00 0.71 0.00 0.00 56.30 56.78 2grg h ASN 49 Cb 0.56 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 2grg h ASN 49 CO 0.04 0.75 -0.80 0.00 -1.29 0.00 0.00 177.43 176.12 2grg h ALA 50 N 1.42 0.50 0.19 1.57 0.00 -1.08 -3.37 119.26 118.48 2grg h ALA 50 Ca 0.29 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2grg h ALA 50 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2grg h ALA 50 CO -0.05 1.00 -0.09 0.93 0.00 0.00 0.00 179.25 181.04 2grg h GLU 51 N 0.00 -0.24 -6.94 0.00 4.39 -0.92 -3.48 114.58 107.40 2grg h GLU 51 Ca -0.01 0.02 -0.48 0.00 0.34 0.00 0.00 59.36 59.23 2grg h GLU 51 Cb 1.59 0.05 0.06 0.00 -0.10 0.00 0.00 28.75 30.36 2grg h GLU 51 CO 0.10 -0.16 0.03 -0.48 -1.16 0.00 0.00 179.01 177.35 2grg s LEU 52 N -8.45 2.99 0.00 1.33 0.05 0.30 -5.05 118.68 109.84 2grg s LEU 52 Ca -0.04 -0.63 0.00 0.00 0.05 0.00 0.00 54.13 53.51 2grg s LEU 52 Cb 0.00 -1.70 0.00 0.00 -2.05 0.00 0.00 46.19 42.44 2grg s LEU 52 CO 0.11 -1.72 0.00 0.61 -0.55 0.00 0.00 176.35 174.80 2grg n GLY 53 N -2.63 0.00 0.00 -3.48 0.00 -1.26 -4.77 105.19 93.05 2grg n GLY 53 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.04 2.94 -1.76 1.61 3.00 -1.26 -4.77 116.66 115.39 2grg n ARG 54 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 2grg n ARG 54 Cb 0.17 -0.25 0.06 0.00 0.00 0.00 0.00 32.46 32.44 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 -0.02 2.86 -0.64 6.15 1.43 -1.26 -4.22 118.68 122.97 2grg s LEU 55 Ca 0.00 1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 2grg s LEU 55 Cb 0.00 -4.02 0.16 0.00 0.03 0.00 0.00 46.19 42.37 2grg s LEU 55 CO 0.00 -1.50 0.54 -0.83 0.23 0.00 0.00 176.35 174.79 2grg s GLY 56 N -4.16 2.36 0.21 -3.19 0.00 0.74 -4.68 107.32 98.60 2grg s GLY 56 Ca 0.59 -2.95 -0.30 0.00 0.00 0.00 0.00 44.72 42.05 2grg s GLY 56 CO 0.53 1.18 1.31 -0.47 0.00 0.00 0.00 173.10 175.64 2grg s TYR 57 N 0.71 3.24 -0.32 1.90 5.04 -1.25 -3.11 117.35 123.57 2grg s TYR 57 Ca 0.12 1.24 -0.29 0.00 -2.44 0.00 0.00 57.07 55.70 2grg s TYR 57 Cb -0.20 -3.61 -0.02 0.00 0.35 0.00 0.00 41.96 38.48 2grg s TYR 57 CO -0.03 -1.87 1.74 -1.12 -1.34 0.00 0.00 175.55 172.92 2grg s SER 58 N 0.25 6.01 -0.14 4.32 0.01 -1.26 -1.64 113.70 121.24 2grg s SER 58 Ca 0.56 1.32 0.19 0.00 1.31 0.00 0.00 55.95 59.33 2grg s SER 58 Cb -0.37 -2.53 -0.28 0.00 0.21 0.00 0.00 66.02 63.06 2grg s SER 58 CO 0.39 -1.61 0.21 1.33 0.41 0.00 0.00 173.24 173.97 2grg n VAL 59 N 7.25 0.94 -3.91 3.43 0.24 0.28 -4.91 118.33 121.65 2grg n VAL 59 Ca 0.22 -0.74 -0.20 0.00 -2.04 0.00 0.00 64.34 61.57 2grg n VAL 59 Cb 0.47 -0.31 -0.17 0.00 -1.47 0.00 0.00 33.84 32.35 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 -2.83 0.56 -0.17 6.34 5.04 -0.96 -4.98 117.35 120.35 2grg s TYR 60 Ca -0.09 -0.11 -0.01 0.00 -2.44 0.00 0.00 57.07 54.42 2grg s TYR 60 Cb 0.09 -0.64 0.05 0.00 0.35 0.00 0.00 41.96 41.80 2grg s TYR 60 CO 0.86 -0.23 -0.02 -2.00 -1.34 0.00 0.00 175.55 172.81 2grg s GLU 61 N 1.46 1.15 0.00 4.97 2.12 -1.26 0.92 118.70 128.06 2grg s GLU 61 Ca -0.03 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2grg s GLU 61 Cb -0.13 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.23 2grg s GLU 61 CO -0.03 -0.51 0.00 -3.47 -0.54 0.00 0.00 175.26 170.72 2grg n ASP 62 N 4.92 0.96 0.16 -1.70 -0.08 -0.04 -5.02 116.55 115.75 2grg n ASP 62 Ca -0.11 -0.99 0.12 0.00 -1.51 0.00 0.00 54.79 52.31 2grg n ASP 62 Cb 0.47 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.15 2grg n ASP 62 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2grg h ALA 63 N 0.73 0.89 0.00 -1.67 0.00 -2.03 -3.37 119.26 113.81 2grg h ALA 63 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2grg h ALA 63 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2grg h ALA 63 CO 0.00 0.00 -1.84 1.04 0.00 0.00 0.00 179.25 178.45 2grg n GLN 64 N -2.70 0.33 -4.27 0.00 3.00 -1.26 -5.02 117.38 107.46 2grg n GLN 64 Ca 0.04 0.13 -0.15 0.00 -0.01 0.00 0.00 57.00 57.01 2grg n GLN 64 Cb 0.49 -1.11 -0.10 0.00 0.00 0.00 0.00 30.24 29.52 2grg n GLN 64 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2grg s TYR 65 N -2.28 1.34 -0.06 1.08 2.02 -1.26 -3.10 117.35 115.09 2grg s TYR 65 Ca -0.21 -0.84 0.01 0.00 -0.37 0.00 0.00 57.07 55.66 2grg s TYR 65 Cb 0.07 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 2grg s TYR 65 CO 0.29 0.00 -0.07 0.42 -1.57 0.00 0.00 175.55 174.62 2grg s ILE 66 N -3.40 0.76 -0.12 2.71 1.01 0.73 -0.86 121.20 122.03 2grg s ILE 66 Ca 0.21 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 2grg s ILE 66 Cb 0.04 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 2grg s ILE 66 CO 0.03 0.28 0.16 -0.83 0.00 0.00 0.00 174.94 174.58 2grg s GLY 67 N 0.95 2.17 -0.07 6.18 0.00 0.26 -0.18 107.32 116.63 2grg s GLY 67 Ca -0.10 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.03 2grg s GLY 67 CO 0.00 -0.31 -0.16 0.30 0.00 0.00 0.00 173.10 172.93 2grg s HIS 68 N -0.94 1.81 -0.17 1.90 0.09 -0.05 -0.55 115.29 117.38 2grg s HIS 68 Ca 0.15 -0.68 -0.23 0.00 -0.00 0.00 0.00 55.06 54.30 2grg s HIS 68 Cb -0.12 -1.27 -0.02 0.00 -0.00 0.00 0.00 32.58 31.17 2grg s HIS 68 CO 0.04 -0.30 0.74 0.00 -0.00 0.00 0.00 174.74 175.22 2grg s ALA 69 N 0.48 3.51 -0.04 -1.40 0.00 -0.65 -1.02 121.76 122.64 2grg s ALA 69 Ca -0.14 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 51.80 2grg s ALA 69 Cb -0.16 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2grg s ALA 69 CO 0.05 -0.57 -0.21 -0.06 0.00 0.00 0.00 175.76 174.97 2grg s PHE 70 N 1.96 2.51 -0.01 0.00 0.40 0.64 -3.74 117.98 119.73 2grg s PHE 70 Ca 0.34 -0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 56.07 2grg s PHE 70 Cb -0.16 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 2grg s PHE 70 CO 0.12 0.05 0.88 0.15 0.70 0.00 0.00 175.22 177.13 2grg s LYS 71 N -0.64 4.53 0.53 0.44 3.01 -1.26 -1.46 119.74 124.89 2grg s LYS 71 Ca 0.10 1.24 0.01 0.00 -1.01 0.00 0.00 55.97 56.31 2grg s LYS 71 Cb -0.10 -3.45 0.00 0.00 -1.01 0.00 0.00 37.83 33.27 2grg s LYS 71 CO -0.00 0.02 0.08 0.15 0.51 0.00 0.00 175.35 176.11 2grg s LYS 72 N 0.82 2.23 -0.72 1.68 -0.14 0.70 -4.94 119.74 119.36 2grg s LYS 72 Ca 0.47 -2.36 -0.26 0.00 -1.36 0.00 0.00 55.97 52.46 2grg s LYS 72 Cb -0.20 -1.63 -0.06 0.00 -1.68 0.00 0.00 37.83 34.26 2grg s LYS 72 CO 0.25 -0.45 2.09 0.00 -0.76 0.00 0.00 175.35 176.48 2grg s ALA 73 N -2.88 1.61 -0.77 5.17 0.00 -1.26 -2.59 121.76 121.04 2grg s ALA 73 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2grg s ALA 73 Cb 0.00 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2grg s ALA 73 CO 0.05 -4.71 0.00 0.41 0.00 0.00 0.00 175.76 171.51 2grg n GLY 74 N 6.36 0.89 3.39 0.00 0.00 -1.26 -4.96 105.19 109.61 2grg n GLY 74 Ca 0.35 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.09 0.90 -0.07 1.61 4.02 -1.07 -3.81 115.29 114.79 2grg s HIS 75 Ca 0.00 -1.15 -0.01 0.00 1.02 0.00 0.00 55.06 54.92 2grg s HIS 75 Cb 0.00 -0.23 0.03 0.00 -1.02 0.00 0.00 32.58 31.36 2grg s HIS 75 CO 0.00 -0.86 -0.01 -0.06 1.02 0.00 0.00 174.74 174.83 2grg s PHE 76 N -3.89 0.74 -0.05 1.40 0.08 -0.78 -0.22 117.98 115.27 2grg s PHE 76 Ca 0.32 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.19 2grg s PHE 76 Cb 0.03 -0.80 0.00 0.00 -0.57 0.00 0.00 43.02 41.68 2grg s PHE 76 CO 0.13 -0.31 -0.17 0.42 -0.10 0.00 0.00 175.22 175.19 2grg s ILE 77 N 1.72 1.44 -0.36 0.64 1.01 -0.54 0.54 121.20 125.66 2grg s ILE 77 Ca 0.02 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2grg s ILE 77 Cb -0.13 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2grg s ILE 77 CO -0.04 0.42 0.19 -0.69 0.00 0.00 0.00 174.94 174.81 2grg s VAL 78 N 0.18 4.59 -0.19 2.92 1.01 0.41 -0.26 120.40 129.05 2grg s VAL 78 Ca -0.07 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 2grg s VAL 78 Cb -0.13 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2grg s VAL 78 CO 0.03 -0.15 0.57 -0.31 0.00 0.00 0.00 175.10 175.24 2grg s TYR 79 N 1.57 3.38 -0.32 5.22 1.51 -0.19 -0.21 117.35 128.32 2grg s TYR 79 Ca 0.03 0.86 -0.14 0.00 -1.01 0.00 0.00 57.07 56.80 2grg s TYR 79 Cb -0.19 -2.73 -0.02 0.00 -0.11 0.00 0.00 41.96 38.91 2grg s TYR 79 CO 0.07 -0.12 0.33 -0.06 -1.11 0.00 0.00 175.55 174.65 2grg s PHE 80 N 1.71 3.22 0.19 2.71 0.40 0.99 -0.88 117.98 126.32 2grg s PHE 80 Ca 0.27 0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.73 2grg s PHE 80 Cb -0.16 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.75 2grg s PHE 80 CO 0.10 -0.34 0.16 0.95 0.70 0.00 0.00 175.22 176.79 2grg s THR 81 N 1.97 4.49 -0.88 0.64 -4.23 0.75 0.20 115.64 118.57 2grg s THR 81 Ca 0.11 -1.18 -0.13 0.00 -1.18 0.00 0.00 61.69 59.31 2grg s THR 81 Cb -0.16 -3.34 -0.09 0.00 1.34 0.00 0.00 72.50 70.24 2grg s THR 81 CO 0.11 -0.19 2.04 -0.81 -0.54 0.00 0.00 174.62 175.23 2grg n PRO 82 N -0.63 1.88 -3.32 3.99 -0.04 -1.26 -0.19 135.00 135.42 2grg n PRO 82 Ca -0.08 -1.69 -0.24 0.00 -0.04 0.00 0.00 63.50 61.46 2grg n PRO 82 Cb 0.56 -2.70 0.05 0.00 -0.04 0.00 0.00 33.50 31.37 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 5.51 -6.26 -2.20 0.54 5.02 -1.18 -4.90 118.16 114.69 2grg n LYS 83 Ca 0.47 0.86 -0.38 0.00 -2.02 0.00 0.00 58.31 57.24 2grg n LYS 83 Cb 0.26 -5.80 -0.03 0.00 -0.02 0.00 0.00 35.03 29.44 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 -3.00 5.54 0.38 4.39 2.47 -1.26 -4.92 114.94 118.55 2grg s ASN 84 Ca 0.45 -0.04 0.04 0.00 0.42 0.00 0.00 52.86 53.73 2grg s ASN 84 Cb -0.20 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.03 2grg s ASN 84 CO 0.55 -2.23 0.16 -0.75 -3.72 0.00 0.00 177.10 171.11 2grg s LYS 85 N 6.61 1.85 2.11 0.43 2.47 -1.26 -4.97 119.74 126.97 2grg s LYS 85 Ca 0.58 -2.11 0.00 0.00 -1.56 0.00 0.00 55.97 52.88 2grg s LYS 85 Cb -0.10 -0.36 0.00 0.00 -1.46 0.00 0.00 37.83 35.91 2grg s LYS 85 CO 0.16 -0.51 0.00 -1.71 0.16 0.00 0.00 175.35 173.45 2grg n ASN 86 N -1.29 -2.78 -4.20 1.43 2.85 -1.26 -4.58 115.26 105.43 2grg n ASN 86 Ca -0.02 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.08 2grg n ASN 86 Cb 0.64 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.54 2grg n ASN 86 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2grg s ARG 87 N 0.00 2.41 0.05 1.20 0.52 -1.26 -4.91 118.95 116.96 2grg s ARG 87 Ca 0.00 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 2grg s ARG 87 Cb 0.00 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 32.11 2grg s ARG 87 CO 0.00 -0.73 0.00 -1.91 0.02 0.00 0.00 175.30 172.68 2grg n GLU 88 N 4.68 0.00 0.00 3.54 2.13 -1.26 -5.08 120.64 124.65 2grg n GLU 88 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 2grg n GLU 88 Cb 0.43 -0.41 0.00 0.00 0.27 0.00 0.00 31.44 31.73 2grg n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2grg n GLY 89 N 2.88 0.50 3.64 8.31 0.00 -1.26 -4.97 105.19 114.29 2grg n GLY 89 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 2.59 4.05 -0.07 1.61 1.01 -1.26 -5.00 120.40 123.33 2grg s VAL 90 Ca 0.00 1.22 -0.17 0.00 0.00 0.00 0.00 61.98 63.03 2grg s VAL 90 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2grg s VAL 90 CO 0.00 -0.31 0.46 0.68 0.00 0.00 0.00 175.10 175.93 2grg s VAL 91 N 4.27 5.10 -0.17 2.92 -7.23 -1.26 -4.74 120.40 119.28 2grg s VAL 91 Ca 0.60 0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 61.41 2grg s VAL 91 Cb -0.21 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 32.91 2grg s VAL 91 CO 0.22 0.43 1.61 -2.16 -0.31 0.00 0.00 175.10 174.88 2grg s PRO 92 N -0.06 3.93 0.83 4.82 0.04 -1.26 -5.01 135.00 138.29 2grg s PRO 92 Ca 0.25 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 2grg s PRO 92 Cb -0.16 -4.00 0.09 0.00 0.04 0.00 0.00 34.50 30.47 2grg s PRO 92 CO 0.12 -1.14 1.14 -2.14 0.04 0.00 0.00 177.00 175.03 2grg s PRO 93 N 4.43 1.78 -1.34 0.56 0.02 -1.26 -4.95 135.00 134.24 2grg s PRO 93 Ca 0.71 0.29 -0.15 0.00 0.02 0.00 0.00 61.00 61.87 2grg s PRO 93 Cb -0.27 -1.91 0.09 0.00 0.02 0.00 0.00 34.50 32.42 2grg s PRO 93 CO 0.28 -1.76 1.90 1.55 -0.33 0.00 0.00 177.00 178.64 2grg n VAL 94 N -3.46 3.87 -3.27 3.83 3.14 -1.26 -4.74 118.33 116.43 2grg n VAL 94 Ca 0.07 -3.83 -0.06 0.00 -2.96 0.00 0.00 64.34 57.55 2grg n VAL 94 Cb 0.59 -2.46 -0.04 0.00 -1.06 0.00 0.00 33.84 30.87 2grg n VAL 94 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2grg s GLY 95 N 3.15 -0.75 -0.34 7.55 0.00 -1.26 -5.11 107.32 110.56 2grg s GLY 95 Ca 0.48 -0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.91 2grg s GLY 95 CO -0.00 3.28 0.09 -0.26 0.00 0.00 0.00 173.10 176.21 2grg s ILE 96 N 1.72 3.50 0.00 0.90 -4.36 -1.26 -5.08 121.20 116.61 2grg s ILE 96 Ca 0.16 -1.35 -0.30 0.00 -0.26 0.00 0.00 60.65 58.91 2grg s ILE 96 Cb -0.09 -3.05 -0.03 0.00 1.25 0.00 0.00 42.46 40.54 2grg s ILE 96 CO -0.06 -0.24 0.99 -0.89 0.24 0.00 0.00 174.94 174.97 2grg s THR 97 N 1.32 4.84 -2.00 8.37 2.01 -1.26 -5.25 115.64 123.68 2grg s THR 97 Ca -0.01 2.04 0.31 0.00 0.31 0.00 0.00 61.69 64.34 2grg s THR 97 Cb -0.20 -4.31 0.89 0.00 0.01 0.00 0.00 72.50 68.89 2grg s THR 97 CO 0.01 0.16 2.20 -3.20 -0.69 0.00 0.00 174.62 173.09