#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grg s LYS 2 N 0.00 3.85 0.00 2.12 2.47 -1.26 -4.87 119.74 122.06 2grg s LYS 2 Ca 0.00 0.68 0.26 0.00 -1.56 0.00 0.00 55.97 55.35 2grg s LYS 2 Cb 0.00 -3.82 0.60 0.00 -1.46 0.00 0.00 37.83 33.16 2grg s LYS 2 CO 0.00 -1.05 1.49 -1.13 0.16 0.00 0.00 175.35 174.83 2grg n SER 3 N 7.05 2.28 -4.51 1.43 3.41 -1.26 -4.80 113.62 117.23 2grg n SER 3 Ca 0.09 -1.76 -0.43 0.00 -0.26 0.00 0.00 58.87 56.52 2grg n SER 3 Cb 0.48 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 2grg n SER 3 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2grg s SER 4 N -2.00 6.28 -0.06 4.04 0.01 -1.26 -4.27 113.70 116.44 2grg s SER 4 Ca 0.33 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 2grg s SER 4 Cb 0.20 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 2grg s SER 4 CO 0.32 -1.37 -0.01 -0.63 0.41 0.00 0.00 173.24 171.96 2grg s ILE 5 N 4.23 4.18 0.64 1.44 1.01 -1.04 -4.60 121.20 127.06 2grg s ILE 5 Ca 0.29 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.39 2grg s ILE 5 Cb -0.13 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2grg s ILE 5 CO 0.16 0.55 1.26 -2.16 0.00 0.00 0.00 174.94 174.75 2grg s PRO 6 N -1.04 2.61 0.41 2.79 0.04 -1.26 -0.93 135.00 137.63 2grg s PRO 6 Ca 0.15 1.95 0.19 0.00 0.04 0.00 0.00 61.00 63.32 2grg s PRO 6 Cb -0.11 -1.87 0.90 0.00 0.04 0.00 0.00 34.50 33.46 2grg s PRO 6 CO 0.04 -1.52 1.86 0.97 0.04 0.00 0.00 177.00 178.39 2grg h ILE 7 N 0.52 0.95 0.00 0.56 6.09 -1.93 -1.37 117.51 122.33 2grg h ILE 7 Ca -0.50 -1.15 0.00 0.00 -1.37 0.00 0.00 64.86 61.84 2grg h ILE 7 Cb 1.32 1.67 0.00 0.00 0.47 0.00 0.00 36.82 40.28 2grg h ILE 7 CO 0.53 0.30 0.00 0.00 -3.07 0.00 0.00 178.15 175.91 2grg h THR 8 N 0.00 0.00 0.00 2.19 1.03 -1.93 0.11 112.91 114.31 2grg h THR 8 Ca -0.00 -0.10 -0.43 0.00 -0.01 0.00 0.00 66.41 65.86 2grg h THR 8 Cb 0.65 1.02 -0.07 0.00 -1.07 0.00 0.00 68.15 68.68 2grg h THR 8 CO 0.04 0.00 -2.48 -0.62 -0.01 0.00 0.00 175.52 172.45 2grg n GLU 9 N -2.93 0.58 -0.10 0.00 -0.58 -0.60 -4.59 120.64 112.43 2grg n GLU 9 Ca -0.02 0.22 -0.11 0.00 -0.42 0.00 0.00 57.16 56.83 2grg n GLU 9 Cb 0.11 -1.46 0.02 0.00 -0.57 0.00 0.00 31.44 29.54 2grg n GLU 9 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2grg h VAL 10 N -0.71 1.28 0.23 2.62 2.07 -1.11 -2.87 116.25 117.75 2grg h VAL 10 Ca -0.65 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.35 2grg h VAL 10 Cb 1.66 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 2grg h VAL 10 CO -0.33 0.50 -0.43 0.25 0.02 0.00 0.00 177.57 177.59 2grg h LEU 11 N 0.70 -1.24 -1.51 2.57 5.85 -1.04 0.24 115.31 120.87 2grg h LEU 11 Ca 0.07 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2grg h LEU 11 Cb 0.92 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 2grg h LEU 11 CO 0.08 -0.50 -0.21 1.55 -0.34 0.00 0.00 178.44 179.03 2grg h PRO 12 N -0.71 0.04 -0.06 5.25 0.13 -1.79 -2.05 132.00 132.83 2grg h PRO 12 Ca -0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2grg h PRO 12 Cb 0.66 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2grg h PRO 12 CO -0.16 0.26 0.00 0.54 -0.23 0.00 0.00 178.00 178.41 2grg n ARG 13 N -4.27 1.44 -3.62 0.86 1.74 -0.95 -4.86 116.66 107.00 2grg n ARG 13 Ca -0.02 -0.64 -0.32 0.00 -0.77 0.00 0.00 57.85 56.09 2grg n ARG 13 Cb 0.28 -1.42 -0.05 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.93 3.75 -0.52 7.54 0.00 0.79 -4.25 121.76 127.13 2grg s ALA 14 Ca 0.36 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.89 2grg s ALA 14 Cb 0.18 -2.20 0.06 0.00 0.00 0.00 0.00 23.12 21.16 2grg s ALA 14 CO 0.30 0.62 0.79 1.33 0.00 0.00 0.00 175.76 178.79 2grg n VAL 15 N 0.31 0.30 -3.60 0.00 0.24 0.12 -4.95 118.33 110.75 2grg n VAL 15 Ca -0.04 -0.65 -0.08 0.00 -2.04 0.00 0.00 64.34 61.53 2grg n VAL 15 Cb 0.52 0.92 -0.02 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.57 -0.39 -0.23 7.63 0.00 -0.91 -1.12 107.32 111.74 2grg s GLY 16 Ca 0.07 0.46 -0.24 0.00 0.00 0.00 0.00 44.72 45.01 2grg s GLY 16 CO 0.06 0.14 0.66 -1.35 0.00 0.00 0.00 173.10 172.62 2grg s SER 17 N -2.73 -0.68 -0.22 1.64 1.04 0.76 0.42 113.70 113.93 2grg s SER 17 Ca 0.07 1.25 -0.01 0.00 0.48 0.00 0.00 55.95 57.74 2grg s SER 17 Cb -0.02 1.26 0.02 0.00 0.10 0.00 0.00 66.02 67.38 2grg s SER 17 CO -0.05 -0.27 -0.11 -0.76 0.98 0.00 0.00 173.24 173.03 2grg s LEU 18 N 0.17 2.80 -0.37 2.42 1.43 0.70 -0.61 118.68 125.21 2grg s LEU 18 Ca -0.01 -0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 52.16 2grg s LEU 18 Cb -0.04 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2grg s LEU 18 CO 0.02 -0.07 0.57 -0.89 0.23 0.00 0.00 176.35 176.21 2grg s THR 19 N 1.33 4.95 0.25 5.49 2.01 0.68 -0.32 115.64 130.02 2grg s THR 19 Ca 0.02 0.33 0.07 0.00 0.31 0.00 0.00 61.69 62.42 2grg s THR 19 Cb -0.15 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 2grg s THR 19 CO -0.07 -0.33 0.22 -0.36 -0.69 0.00 0.00 174.62 173.39 2grg s PHE 20 N 2.55 3.16 0.47 4.92 0.40 0.18 0.92 117.98 130.58 2grg s PHE 20 Ca 0.21 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 2grg s PHE 20 Cb -0.15 -1.43 0.09 0.00 0.51 0.00 0.00 43.02 42.04 2grg s PHE 20 CO 0.15 0.51 0.65 -0.40 0.70 0.00 0.00 175.22 176.83 2grg n ASP 21 N -1.18 1.08 0.27 1.36 5.75 0.27 -1.43 116.55 122.68 2grg n ASP 21 Ca -0.08 -1.86 0.18 0.00 -0.01 0.00 0.00 54.79 53.02 2grg n ASP 21 Cb 0.58 -0.40 0.80 0.00 -1.03 0.00 0.00 41.12 41.06 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 -0.56 0.11 9.09 -1.90 0.07 114.58 121.39 2grg h GLU 22 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.19 2grg h GLU 22 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 2grg h GLU 22 CO 0.25 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.40 2grg n ASN 23 N -2.96 3.01 -2.27 3.06 3.02 -1.26 -4.93 115.26 112.93 2grg n ASN 23 Ca -0.00 -2.01 -0.16 0.00 -0.03 0.00 0.00 54.58 52.37 2grg n ASN 23 Cb 0.23 -0.38 0.03 0.00 -0.61 0.00 0.00 39.78 39.04 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 1.12 -1.44 -4.15 3.10 4.01 0.01 -5.02 117.16 114.79 2grg n TYR 24 Ca 0.19 0.38 -0.33 0.00 -0.16 0.00 0.00 57.90 57.98 2grg n TYR 24 Cb 0.48 -3.59 -0.08 0.00 -0.31 0.00 0.00 39.34 35.85 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 -2.78 5.49 0.13 7.72 0.01 -1.26 -4.79 114.94 119.46 2grg s ASN 25 Ca 0.22 0.08 -0.31 0.00 -0.71 0.00 0.00 52.86 52.15 2grg s ASN 25 Cb -0.10 -1.53 -0.08 0.00 0.41 0.00 0.00 41.25 39.96 2grg s ASN 25 CO 0.27 0.27 1.35 -0.22 -1.51 0.00 0.00 177.10 177.26 2grg s LEU 26 N -1.73 4.38 -0.09 0.60 2.96 -1.26 -0.56 118.68 122.98 2grg s LEU 26 Ca 0.22 2.32 -0.11 0.00 -0.22 0.00 0.00 54.13 56.34 2grg s LEU 26 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2grg s LEU 26 CO 0.13 -0.60 -0.22 0.18 -1.32 0.00 0.00 176.35 174.53 2grg n LEU 27 N 3.59 1.56 -4.02 -0.68 4.77 0.26 -4.90 117.00 117.58 2grg n LEU 27 Ca 0.10 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 56.12 2grg n LEU 27 Cb 0.43 -0.57 -0.15 0.00 -2.33 0.00 0.00 43.42 40.79 2grg n LEU 27 CO 0.58 -0.34 -0.44 -0.62 -1.33 0.00 0.00 177.39 175.24 2grg s ASP 28 N -6.03 1.28 -0.21 -1.43 2.15 -0.96 -4.99 116.67 106.48 2grg s ASP 28 Ca -0.19 -0.20 -0.03 0.00 0.43 0.00 0.00 52.55 52.57 2grg s ASP 28 Cb 0.03 -0.29 -0.00 0.00 -0.30 0.00 0.00 42.92 42.36 2grg s ASP 28 CO 0.27 0.09 -0.08 -0.89 -0.17 0.00 0.00 175.17 174.39 2grg s THR 29 N 0.06 3.07 0.03 1.71 2.01 -1.26 -0.23 115.64 121.03 2grg s THR 29 Ca -0.01 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.44 2grg s THR 29 Cb -0.07 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 2grg s THR 29 CO 0.00 0.45 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.70 2grg s SER 30 N 1.40 1.63 0.28 3.53 0.15 0.22 -4.82 113.70 116.08 2grg s SER 30 Ca 0.05 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2grg s SER 30 Cb -0.14 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2grg s SER 30 CO -0.05 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2grg n GLY 31 N 1.97 -0.04 0.30 9.45 0.00 -1.26 -0.17 105.19 115.44 2grg n GLY 31 Ca -0.18 -0.98 0.21 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 -1.46 -1.62 116.25 116.84 2grg h VAL 32 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2grg h VAL 32 Cb 0.00 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 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 -2.03 1.15 0.15 1.67 0.00 -1.19 -1.10 120.51 119.16 2grg n ALA 33 Ca -0.02 0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.61 2grg n ALA 33 Cb 0.08 -1.30 0.15 0.00 0.00 0.00 0.00 19.45 18.38 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 0.00 0.00 0.00 1.57 -1.48 -3.26 116.57 113.40 2grg h LYS 34 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2grg h LYS 34 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2grg h LYS 34 CO 0.00 0.51 -2.00 1.33 -0.57 0.00 0.00 179.45 178.71 2grg n VAL 35 N -3.39 0.12 -2.70 0.50 0.24 -0.26 -4.93 118.33 107.90 2grg n VAL 35 Ca 0.01 -0.52 -0.36 0.00 -2.04 0.00 0.00 64.34 61.43 2grg n VAL 35 Cb 0.65 -0.03 -0.06 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 -3.39 4.07 0.74 1.34 1.01 -0.83 -5.04 121.20 119.10 2grg s ILE 36 Ca -0.08 1.57 -0.13 0.00 0.00 0.00 0.00 60.65 62.01 2grg s ILE 36 Cb 0.13 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.84 2grg s ILE 36 CO 0.88 -0.00 1.12 -1.83 0.00 0.00 0.00 174.94 175.11 2grg s GLU 37 N -2.45 2.30 -0.05 2.79 -1.05 -1.26 -4.90 118.70 114.09 2grg s GLU 37 Ca 0.55 1.39 -0.21 0.00 -0.15 0.00 0.00 54.97 56.55 2grg s GLU 37 Cb -0.18 -1.89 -0.31 0.00 -0.44 0.00 0.00 34.13 31.31 2grg s GLU 37 CO 0.23 -1.64 0.87 0.87 0.95 0.00 0.00 175.26 176.54 2grg h LYS 38 N -0.64 0.31 0.00 -4.83 6.56 -1.96 -3.50 116.57 112.51 2grg h LYS 38 Ca -0.45 -0.53 0.26 0.00 -1.06 0.00 0.00 60.65 58.87 2grg h LYS 38 Cb 1.25 0.20 -0.07 0.00 -0.57 0.00 0.00 32.23 33.04 2grg h LYS 38 CO 0.51 1.25 -0.35 -1.13 -2.06 0.00 0.00 179.45 177.67 2grg n SER 39 N -4.08 -6.01 -1.83 0.86 3.41 -1.26 -3.63 113.62 101.07 2grg n SER 39 Ca -0.15 1.04 -0.05 0.00 -0.26 0.00 0.00 58.87 59.45 2grg n SER 39 Cb 0.85 -3.07 -0.07 0.00 -0.26 0.00 0.00 64.21 61.66 2grg n SER 39 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2grg n PRO 40 N -3.06 1.28 -0.07 4.33 -0.02 -1.26 -4.47 135.00 131.73 2grg n PRO 40 Ca 0.01 -0.43 0.01 0.00 -2.02 0.00 0.00 63.50 61.06 2grg n PRO 40 Cb 0.44 -1.51 0.30 0.00 -0.02 0.00 0.00 33.50 32.71 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 1.66 1.18 -0.80 4.25 2.04 -1.95 -2.50 117.51 121.39 2grg h ILE 41 Ca 0.08 -0.54 0.09 0.00 1.00 0.00 0.00 64.86 65.50 2grg h ILE 41 Cb 1.07 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 2grg h ILE 41 CO 0.14 0.21 0.52 0.00 0.00 0.00 0.00 178.15 179.02 2grg h ALA 42 N 1.54 1.75 -0.74 1.87 0.00 -1.87 0.33 119.26 122.14 2grg h ALA 42 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2grg h ALA 42 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2grg h ALA 42 CO -0.02 0.09 0.34 1.49 0.00 0.00 0.00 179.25 181.15 2grg h GLU 43 N 0.75 1.07 0.00 0.00 4.57 -1.82 -1.91 114.58 117.24 2grg h GLU 43 Ca 0.37 -0.16 -0.17 0.00 -1.18 0.00 0.00 59.36 58.22 2grg h GLU 43 Cb 0.43 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2grg h GLU 43 CO -0.14 0.84 -0.80 0.82 -1.18 0.00 0.00 179.01 178.54 2grg h ILE 44 N 1.06 1.34 -0.22 2.32 1.08 -0.90 -2.87 117.51 119.33 2grg h ILE 44 Ca 0.25 -2.90 -0.00 0.00 -0.39 0.00 0.00 64.86 61.82 2grg h ILE 44 Cb 0.13 2.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.53 2grg h ILE 44 CO -0.03 0.76 0.13 0.40 -0.69 0.00 0.00 178.15 178.72 2grg h ILE 45 N 0.00 1.11 -0.58 -0.67 2.04 0.03 0.11 117.51 119.54 2grg h ILE 45 Ca -0.01 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 2grg h ILE 45 Cb 1.61 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2grg h ILE 45 CO 0.10 0.10 0.06 0.08 0.00 0.00 0.00 178.15 178.49 2grg h ARG 46 N 0.26 0.99 -0.34 2.37 0.11 -1.40 0.85 114.38 117.22 2grg h ARG 46 Ca 0.08 -0.29 0.02 0.00 0.10 0.00 0.00 59.98 59.89 2grg h ARG 46 Cb 0.06 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.01 2grg h ARG 46 CO -0.01 0.96 0.18 0.87 0.10 0.00 0.00 179.97 182.07 2grg h LYS 47 N 0.88 0.37 0.00 0.08 1.57 -1.30 -1.73 116.57 116.44 2grg h LYS 47 Ca 0.17 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2grg h LYS 47 Cb 0.47 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2grg h LYS 47 CO 0.02 0.24 -0.22 0.77 -0.57 0.00 0.00 179.45 179.69 2grg h SER 48 N 0.38 0.00 0.02 0.86 0.02 -0.48 -1.93 113.55 112.42 2grg h SER 48 Ca 0.14 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2grg h SER 48 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2grg h SER 48 CO -0.08 0.22 -0.32 -1.13 -1.14 0.00 0.00 176.83 174.39 2grg h ASN 49 N 0.00 0.43 0.89 3.07 -1.24 0.05 0.14 115.58 118.93 2grg h ASN 49 Ca -0.00 -0.16 -0.18 0.00 0.71 0.00 0.00 56.30 56.67 2grg h ASN 49 Cb 0.52 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.43 2grg h ASN 49 CO 0.03 0.73 -0.86 0.00 -1.29 0.00 0.00 177.43 176.04 2grg h ALA 50 N 1.30 0.56 0.14 1.57 0.00 -0.87 -3.32 119.26 118.64 2grg h ALA 50 Ca 0.05 -0.78 -0.28 0.00 0.00 0.00 0.00 54.91 53.90 2grg h ALA 50 Cb 0.74 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2grg h ALA 50 CO 0.06 1.08 -1.26 0.93 0.00 0.00 0.00 179.25 180.05 2grg h GLU 51 N 0.00 0.29 -4.69 0.00 4.39 -0.96 -3.48 114.58 110.13 2grg h GLU 51 Ca -0.01 -0.49 -0.38 0.00 0.34 0.00 0.00 59.36 58.82 2grg h GLU 51 Cb 1.54 0.18 -0.13 0.00 -0.10 0.00 0.00 28.75 30.24 2grg h GLU 51 CO 0.11 1.23 -0.47 -0.48 -1.16 0.00 0.00 179.01 178.24 2grg s LEU 52 N -7.17 1.47 0.07 1.33 0.05 0.45 -5.08 118.68 109.79 2grg s LEU 52 Ca -0.04 -1.61 0.00 0.00 0.05 0.00 0.00 54.13 52.53 2grg s LEU 52 Cb 0.07 0.67 0.00 0.00 -2.05 0.00 0.00 46.19 44.88 2grg s LEU 52 CO 0.89 -1.04 0.00 0.61 -0.55 0.00 0.00 176.35 176.26 2grg n GLY 53 N -0.52 -0.09 0.75 -3.48 0.00 -1.26 -4.46 105.19 96.12 2grg n GLY 53 Ca 0.05 0.00 0.12 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 -2.87 2.00 -3.43 1.61 3.00 -1.26 -3.24 116.66 112.47 2grg n ARG 54 Ca 0.00 -1.49 -0.20 0.00 -0.00 0.00 0.00 57.85 56.16 2grg n ARG 54 Cb 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 32.46 30.99 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 -1.67 3.42 -0.29 6.15 2.01 -1.26 -4.14 118.68 122.90 2grg s LEU 55 Ca 0.34 -0.69 0.03 0.00 0.01 0.00 0.00 54.13 53.82 2grg s LEU 55 Cb 0.20 -2.15 0.07 0.00 0.01 0.00 0.00 46.19 44.31 2grg s LEU 55 CO 0.29 -0.72 -0.05 -0.83 1.01 0.00 0.00 176.35 176.05 2grg s GLY 56 N -4.21 1.74 0.12 -3.19 0.00 -0.11 -4.40 107.32 97.28 2grg s GLY 56 Ca 0.50 -1.96 -0.23 0.00 0.00 0.00 0.00 44.72 43.02 2grg s GLY 56 CO 0.29 0.70 0.71 -0.47 0.00 0.00 0.00 173.10 174.34 2grg s TYR 57 N 1.07 3.85 -0.32 1.90 5.04 -1.12 -2.49 117.35 125.30 2grg s TYR 57 Ca -0.04 1.50 -0.28 0.00 -2.44 0.00 0.00 57.07 55.81 2grg s TYR 57 Cb -0.20 -2.69 -0.02 0.00 0.35 0.00 0.00 41.96 39.40 2grg s TYR 57 CO -0.05 0.50 1.84 -1.12 -1.34 0.00 0.00 175.55 175.38 2grg s SER 58 N -0.98 5.86 -0.22 4.32 0.01 -1.26 -0.47 113.70 120.96 2grg s SER 58 Ca 0.34 1.37 0.06 0.00 1.31 0.00 0.00 55.95 59.03 2grg s SER 58 Cb -0.22 -2.52 -0.17 0.00 0.21 0.00 0.00 66.02 63.32 2grg s SER 58 CO 0.24 -1.73 -0.13 1.33 0.41 0.00 0.00 173.24 173.36 2grg n VAL 59 N 7.45 1.31 -3.81 3.43 0.24 0.12 -4.90 118.33 122.17 2grg n VAL 59 Ca 0.24 -0.59 -0.29 0.00 -2.04 0.00 0.00 64.34 61.66 2grg n VAL 59 Cb 0.46 -1.10 -0.16 0.00 -1.47 0.00 0.00 33.84 31.58 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 -2.46 1.74 -0.15 6.34 5.04 -1.08 -4.97 117.35 121.81 2grg s TYR 60 Ca -0.25 -1.45 -0.05 0.00 -2.44 0.00 0.00 57.07 52.88 2grg s TYR 60 Cb 0.07 -1.45 -0.03 0.00 0.35 0.00 0.00 41.96 40.90 2grg s TYR 60 CO 0.60 -0.74 0.02 -2.00 -1.34 0.00 0.00 175.55 172.09 2grg s GLU 61 N 1.61 3.63 0.27 4.97 2.12 -1.26 0.83 118.70 130.88 2grg s GLU 61 Ca 0.01 -0.40 0.05 0.00 0.36 0.00 0.00 54.97 54.98 2grg s GLU 61 Cb -0.18 -3.02 -0.06 0.00 0.26 0.00 0.00 34.13 31.13 2grg s GLU 61 CO -0.12 0.39 -0.00 0.34 -0.54 0.00 0.00 175.26 175.33 2grg s ASP 62 N 0.01 2.27 0.62 -1.70 2.15 0.43 -5.01 116.67 115.45 2grg s ASP 62 Ca 0.04 -1.25 0.39 0.00 0.43 0.00 0.00 52.55 52.16 2grg s ASP 62 Cb -0.13 -0.07 2.08 0.00 -0.30 0.00 0.00 42.92 44.51 2grg s ASP 62 CO 0.02 -0.49 2.26 0.00 -0.17 0.00 0.00 175.17 176.79 2grg h ALA 63 N 2.31 1.09 0.00 3.66 0.00 -2.03 -3.25 119.26 121.04 2grg h ALA 63 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2grg h ALA 63 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2grg h ALA 63 CO 0.67 0.02 -0.59 1.04 0.00 0.00 0.00 179.25 180.38 2grg n GLN 64 N -3.22 0.42 -4.36 0.00 6.02 -1.26 -4.99 117.38 109.98 2grg n GLN 64 Ca -0.02 0.39 -0.18 0.00 -0.01 0.00 0.00 57.00 57.17 2grg n GLN 64 Cb 0.13 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.81 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 1.68 -0.07 1.08 2.02 -1.23 -3.63 117.35 114.91 2grg s TYR 65 Ca -0.17 -0.87 0.01 0.00 -0.37 0.00 0.00 57.07 55.67 2grg s TYR 65 Cb 0.02 -0.98 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 2grg s TYR 65 CO 0.25 0.04 -0.07 0.42 -1.57 0.00 0.00 175.55 174.62 2grg s ILE 66 N -3.31 0.85 0.00 2.71 1.01 0.12 -0.43 121.20 122.16 2grg s ILE 66 Ca 0.29 -0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.51 2grg s ILE 66 Cb 0.05 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.62 2grg s ILE 66 CO 0.10 0.31 0.48 -0.83 0.00 0.00 0.00 174.94 175.00 2grg s GLY 67 N 1.19 2.53 -0.11 6.18 0.00 0.24 -0.33 107.32 117.03 2grg s GLY 67 Ca -0.06 -0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.57 2grg s GLY 67 CO -0.02 0.40 -0.18 0.30 0.00 0.00 0.00 173.10 173.60 2grg s HIS 68 N -0.72 2.16 -0.16 1.90 0.09 0.48 0.13 115.29 119.16 2grg s HIS 68 Ca 0.26 -0.97 -0.26 0.00 -0.00 0.00 0.00 55.06 54.08 2grg s HIS 68 Cb -0.17 -1.51 -0.01 0.00 -0.00 0.00 0.00 32.58 30.89 2grg s HIS 68 CO 0.15 -0.46 0.89 0.00 -0.00 0.00 0.00 174.74 175.31 2grg s ALA 69 N 0.76 3.51 -0.02 -1.40 0.00 0.38 -0.73 121.76 124.25 2grg s ALA 69 Ca -0.11 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2grg s ALA 69 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2grg s ALA 69 CO 0.02 -0.67 -0.18 -0.06 0.00 0.00 0.00 175.76 174.86 2grg s PHE 70 N 2.20 2.57 -0.23 0.00 0.40 0.73 -2.78 117.98 120.87 2grg s PHE 70 Ca 0.41 -0.25 -0.25 0.00 -0.60 0.00 0.00 56.93 56.24 2grg s PHE 70 Cb -0.17 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 2grg s PHE 70 CO 0.13 0.14 0.83 0.15 0.70 0.00 0.00 175.22 177.17 2grg s LYS 71 N -0.84 4.20 0.53 0.44 3.01 -1.20 -1.71 119.74 124.17 2grg s LYS 71 Ca 0.12 0.96 0.02 0.00 -1.01 0.00 0.00 55.97 56.06 2grg s LYS 71 Cb -0.10 -3.64 0.01 0.00 -1.01 0.00 0.00 37.83 33.09 2grg s LYS 71 CO 0.01 -0.50 0.16 0.15 0.51 0.00 0.00 175.35 175.68 2grg s LYS 72 N 2.76 2.23 -0.65 1.68 -0.14 0.29 -4.83 119.74 121.08 2grg s LYS 72 Ca 0.35 -2.28 -0.26 0.00 -1.36 0.00 0.00 55.97 52.42 2grg s LYS 72 Cb -0.15 -1.74 -0.08 0.00 -1.68 0.00 0.00 37.83 34.17 2grg s LYS 72 CO 0.08 -0.49 2.29 0.00 -0.76 0.00 0.00 175.35 176.47 2grg s ALA 73 N -2.85 1.38 0.00 5.17 0.00 -1.26 -2.55 121.76 121.65 2grg s ALA 73 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2grg s ALA 73 Cb -0.00 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2grg s ALA 73 CO 0.09 -4.93 0.00 0.41 0.00 0.00 0.00 175.76 171.33 2grg n GLY 74 N 6.33 0.48 3.25 0.00 0.00 -1.26 -4.94 105.19 109.05 2grg n GLY 74 Ca 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.30 1.21 -0.14 1.61 4.02 -1.06 -3.75 115.29 114.89 2grg s HIS 75 Ca 0.00 -1.38 -0.01 0.00 1.02 0.00 0.00 55.06 54.69 2grg s HIS 75 Cb 0.00 -0.52 0.03 0.00 -1.02 0.00 0.00 32.58 31.07 2grg s HIS 75 CO 0.00 -0.73 -0.05 -0.06 1.02 0.00 0.00 174.74 174.92 2grg s PHE 76 N -3.98 1.48 -0.06 1.40 0.08 -0.51 -0.55 117.98 115.85 2grg s PHE 76 Ca 0.38 -0.85 0.06 0.00 0.12 0.00 0.00 56.93 56.64 2grg s PHE 76 Cb 0.05 -1.22 -0.01 0.00 -0.57 0.00 0.00 43.02 41.27 2grg s PHE 76 CO 0.15 -0.55 -0.24 0.42 -0.10 0.00 0.00 175.22 174.90 2grg s ILE 77 N 1.71 2.11 -0.36 0.64 1.01 -0.69 0.49 121.20 126.09 2grg s ILE 77 Ca 0.03 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 2grg s ILE 77 Cb -0.14 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.59 2grg s ILE 77 CO -0.08 0.57 0.20 -0.69 0.00 0.00 0.00 174.94 174.94 2grg s VAL 78 N -0.11 4.57 -0.21 2.92 1.01 0.56 -0.19 120.40 128.94 2grg s VAL 78 Ca -0.05 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 2grg s VAL 78 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2grg s VAL 78 CO 0.04 -0.19 0.53 -0.31 0.00 0.00 0.00 175.10 175.17 2grg s TYR 79 N 1.56 3.35 -0.30 5.22 1.51 0.10 -0.21 117.35 128.57 2grg s TYR 79 Ca 0.02 0.76 -0.15 0.00 -1.01 0.00 0.00 57.07 56.69 2grg s TYR 79 Cb -0.19 -2.69 -0.03 0.00 -0.11 0.00 0.00 41.96 38.95 2grg s TYR 79 CO 0.07 -0.14 0.37 -0.06 -1.11 0.00 0.00 175.55 174.67 2grg s PHE 80 N 1.79 3.23 0.17 2.71 0.40 0.17 -0.39 117.98 126.05 2grg s PHE 80 Ca 0.24 0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.85 2grg s PHE 80 Cb -0.15 -2.63 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 2grg s PHE 80 CO 0.09 -0.32 0.10 0.95 0.70 0.00 0.00 175.22 176.75 2grg s THR 81 N 2.07 4.29 -0.30 0.64 -4.23 0.55 0.14 115.64 118.80 2grg s THR 81 Ca 0.14 -1.18 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 2grg s THR 81 Cb -0.16 -3.18 -0.14 0.00 1.34 0.00 0.00 72.50 70.36 2grg s THR 81 CO 0.11 -0.12 2.39 -0.81 -0.54 0.00 0.00 174.62 175.65 2grg n PRO 82 N -0.31 1.56 0.00 3.99 -0.04 -1.26 0.16 135.00 139.10 2grg n PRO 82 Ca -0.09 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 2grg n PRO 82 Cb 0.55 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 3.10 0.00 -1.14 0.54 5.02 -1.24 -4.72 118.16 119.72 2grg n LYS 83 Ca 0.33 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.57 2grg n LYS 83 Cb 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.44 2grg n LYS 83 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2grg n ASN 84 N 1.48 -4.94 -1.98 4.39 4.05 -1.26 -4.86 115.26 112.14 2grg n ASN 84 Ca 0.00 0.12 -0.20 0.00 0.45 0.00 0.00 54.58 54.95 2grg n ASN 84 Cb 0.00 -2.88 0.05 0.00 1.23 0.00 0.00 39.78 38.18 2grg n ASN 84 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2grg n LYS 85 N -1.06 1.99 -0.15 1.20 5.02 -1.26 -4.29 118.16 119.61 2grg n LYS 85 Ca -0.05 -1.95 -0.11 0.00 -2.02 0.00 0.00 58.31 54.18 2grg n LYS 85 Cb 0.39 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 2grg n LYS 85 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2grg h ASN 86 N 1.53 0.88 -3.82 4.39 -0.73 -1.97 -3.44 115.58 112.42 2grg h ASN 86 Ca 0.36 -0.37 -0.11 0.00 1.87 0.00 0.00 56.30 58.06 2grg h ASN 86 Cb 0.96 -0.24 -0.24 0.00 0.27 0.00 0.00 38.32 39.08 2grg h ASN 86 CO 0.93 1.04 -0.18 -0.60 -0.37 0.00 0.00 177.43 178.25 2grg s ARG 87 N -4.78 0.53 -0.02 6.67 6.06 -1.26 -5.07 118.95 121.07 2grg s ARG 87 Ca -0.12 0.67 -0.26 0.00 -2.50 0.00 0.00 55.73 53.52 2grg s ARG 87 Cb 0.11 0.23 -0.20 0.00 0.06 0.00 0.00 34.95 35.15 2grg s ARG 87 CO 0.84 -0.07 1.25 1.05 -2.50 0.00 0.00 175.30 175.86 2grg h GLU 88 N 5.61 -0.01 0.00 5.12 -0.00 -1.89 -3.46 114.58 119.93 2grg h GLU 88 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.08 2grg h GLU 88 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 2grg h GLU 88 CO 0.22 0.48 0.00 0.41 -0.00 0.00 0.00 179.01 180.12 2grg n GLY 89 N 0.25 1.05 3.70 1.06 0.00 -1.26 -4.70 105.19 105.29 2grg n GLY 89 Ca -0.08 0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 5.09 -0.05 1.61 0.11 -1.26 -5.04 120.40 120.85 2grg s VAL 90 Ca 0.00 1.21 -0.26 0.00 -2.93 0.00 0.00 61.98 59.99 2grg s VAL 90 Cb 0.00 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 2grg s VAL 90 CO 0.00 0.23 0.84 0.68 -3.33 0.00 0.00 175.10 173.52 2grg s VAL 91 N 1.07 4.95 -0.05 2.04 -7.23 -1.26 -4.99 120.40 114.92 2grg s VAL 91 Ca 0.31 1.73 -0.32 0.00 -1.81 0.00 0.00 61.98 61.90 2grg s VAL 91 Cb -0.16 -4.17 -0.10 0.00 0.56 0.00 0.00 36.38 32.51 2grg s VAL 91 CO 0.13 0.18 1.97 -0.81 -0.31 0.00 0.00 175.10 176.26 2grg n PRO 92 N 4.04 2.44 -2.63 4.82 -0.04 -1.26 -4.95 135.00 137.42 2grg n PRO 92 Ca 0.03 0.88 -0.43 0.00 -0.04 0.00 0.00 63.50 63.94 2grg n PRO 92 Cb 0.51 -2.86 -0.02 0.00 -0.04 0.00 0.00 33.50 31.09 2grg n PRO 92 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2grg s PRO 93 N 4.54 4.32 -0.27 0.54 0.04 -1.26 -4.93 135.00 137.98 2grg s PRO 93 Ca 0.92 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 63.26 2grg s PRO 93 Cb -0.55 -3.61 -0.14 0.00 0.04 0.00 0.00 34.50 30.24 2grg s PRO 93 CO 0.46 -0.52 -0.26 0.28 0.04 0.00 0.00 177.00 177.00 2grg n VAL 94 N 5.02 1.53 0.00 -0.36 0.31 -1.26 -4.93 118.33 118.63 2grg n VAL 94 Ca 0.11 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2grg n VAL 94 Cb 0.47 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 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 1.42 -0.62 0.12 2.92 0.00 -1.26 -4.73 105.19 103.03 2grg n GLY 95 Ca -0.51 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 2grg n GLY 95 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2grg h ILE 96 N 0.00 1.49 0.00 -0.61 3.07 -2.06 -3.46 117.51 115.94 2grg h ILE 96 Ca 0.00 -2.07 0.00 0.00 1.55 0.00 0.00 64.86 64.34 2grg h ILE 96 Cb 0.00 2.73 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 2grg h ILE 96 CO 0.00 0.58 0.00 0.41 -1.05 0.00 0.00 178.15 178.09 2grg n THR 97 N -4.34 0.00 -1.69 0.16 -1.04 -1.26 -5.28 114.28 100.84 2grg n THR 97 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2grg n THR 97 Cb 0.61 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 2grg n THR 97 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23