#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 0.00 -2.46 2.12 3.00 -1.26 -5.02 118.16 114.54 2grg n LYS 2 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.13 2grg n LYS 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2grg n LYS 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2grg n SER 3 N -0.43 -5.25 -4.58 3.14 7.64 -1.26 -4.93 113.62 107.95 2grg n SER 3 Ca 0.00 -0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.39 2grg n SER 3 Cb 0.00 -4.28 -0.03 0.00 -1.01 0.00 0.00 64.21 58.90 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 -2.32 6.09 -0.04 6.43 1.04 -1.26 -4.91 113.70 118.73 2grg s SER 4 Ca 0.06 0.55 -0.18 0.00 0.48 0.00 0.00 55.95 56.86 2grg s SER 4 Cb -0.03 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 2grg s SER 4 CO 0.07 -1.69 0.49 -0.63 0.98 0.00 0.00 173.24 172.47 2grg s ILE 5 N 6.22 5.03 0.75 -1.02 1.01 -1.26 -4.43 121.20 127.50 2grg s ILE 5 Ca 0.59 1.02 -0.11 0.00 0.00 0.00 0.00 60.65 62.15 2grg s ILE 5 Cb -0.13 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.56 2grg s ILE 5 CO 0.28 0.44 1.08 -2.16 0.00 0.00 0.00 174.94 174.59 2grg s PRO 6 N -0.24 2.45 0.47 2.79 0.04 -1.26 -0.02 135.00 139.23 2grg s PRO 6 Ca 0.27 1.13 0.22 0.00 0.04 0.00 0.00 61.00 62.66 2grg s PRO 6 Cb -0.17 -1.92 1.19 0.00 0.04 0.00 0.00 34.50 33.64 2grg s PRO 6 CO 0.14 -1.49 1.99 0.97 0.04 0.00 0.00 177.00 178.64 2grg h ILE 7 N -0.97 0.78 0.00 0.56 6.09 -1.91 -2.30 117.51 119.76 2grg h ILE 7 Ca -0.44 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.30 2grg h ILE 7 Cb 1.23 1.45 0.00 0.00 0.47 0.00 0.00 36.82 39.97 2grg h ILE 7 CO 0.53 0.18 0.00 0.00 -3.07 0.00 0.00 178.15 175.79 2grg h THR 8 N 0.00 0.00 0.01 2.19 1.03 -1.92 0.15 112.91 114.37 2grg h THR 8 Ca -0.00 -0.15 -0.42 0.00 -0.01 0.00 0.00 66.41 65.82 2grg h THR 8 Cb 0.44 1.11 -0.06 0.00 -1.07 0.00 0.00 68.15 68.57 2grg h THR 8 CO 0.02 0.00 -2.37 -0.62 -0.01 0.00 0.00 175.52 172.54 2grg n GLU 9 N -3.01 0.61 0.00 0.00 -0.58 -0.89 -4.56 120.64 112.21 2grg n GLU 9 Ca -0.02 0.27 -0.08 0.00 -0.42 0.00 0.00 57.16 56.91 2grg n GLU 9 Cb 0.14 -1.54 0.08 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.31 0.46 2.62 2.07 -1.18 -2.74 116.25 118.08 2grg h VAL 10 Ca -0.63 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.18 2grg h VAL 10 Cb 1.67 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 2grg h VAL 10 CO -0.30 0.53 -0.43 0.25 0.02 0.00 0.00 177.57 177.64 2grg h LEU 11 N 0.43 -1.16 -1.57 2.57 5.85 -0.96 0.67 115.31 121.13 2grg h LEU 11 Ca 0.02 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2grg h LEU 11 Cb 1.00 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2grg h LEU 11 CO 0.09 -0.57 -0.23 1.55 -0.34 0.00 0.00 178.44 178.94 2grg h PRO 12 N -0.88 0.00 -0.01 5.25 0.13 -1.79 -2.48 132.00 132.23 2grg h PRO 12 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2grg h PRO 12 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2grg h PRO 12 CO -0.03 0.23 -0.02 0.54 -0.23 0.00 0.00 178.00 178.48 2grg n ARG 13 N -4.06 1.33 -2.77 0.86 1.74 -1.04 -4.91 116.66 107.81 2grg n ARG 13 Ca -0.02 -0.59 -0.35 0.00 -0.77 0.00 0.00 57.85 56.12 2grg n ARG 13 Cb 0.30 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.07 3.14 -0.51 7.54 0.00 0.20 -4.51 121.76 125.54 2grg s ALA 14 Ca 0.39 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.89 2grg s ALA 14 Cb 0.21 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 20.18 2grg s ALA 14 CO 0.37 0.12 0.58 1.33 0.00 0.00 0.00 175.76 178.17 2grg n VAL 15 N 0.06 0.00 -3.64 0.00 0.24 0.12 -4.96 118.33 110.15 2grg n VAL 15 Ca 0.04 -0.49 -0.08 0.00 -2.04 0.00 0.00 64.34 61.77 2grg n VAL 15 Cb 0.51 1.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.95 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 -0.49 -0.35 -0.18 7.63 0.00 -0.47 -1.29 107.32 112.16 2grg s GLY 16 Ca 0.05 0.25 -0.21 0.00 0.00 0.00 0.00 44.72 44.81 2grg s GLY 16 CO 0.07 0.08 0.56 -1.35 0.00 0.00 0.00 173.10 172.46 2grg s SER 17 N -2.80 -0.57 -0.21 1.64 1.04 0.62 -0.03 113.70 113.39 2grg s SER 17 Ca 0.07 1.03 0.02 0.00 0.48 0.00 0.00 55.95 57.54 2grg s SER 17 Cb -0.03 1.04 0.04 0.00 0.10 0.00 0.00 66.02 67.17 2grg s SER 17 CO -0.03 -0.26 -0.14 -0.76 0.98 0.00 0.00 173.24 173.03 2grg s LEU 18 N 0.02 2.67 -0.28 2.42 1.43 0.74 -0.85 118.68 124.83 2grg s LEU 18 Ca -0.02 -0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 51.91 2grg s LEU 18 Cb -0.04 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2grg s LEU 18 CO 0.02 -0.11 0.48 -0.89 0.23 0.00 0.00 176.35 176.08 2grg s THR 19 N 1.24 5.09 0.17 5.49 2.01 0.53 -0.17 115.64 130.00 2grg s THR 19 Ca -0.02 0.71 0.09 0.00 0.31 0.00 0.00 61.69 62.78 2grg s THR 19 Cb -0.16 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2grg s THR 19 CO -0.09 0.05 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.40 2grg s PHE 20 N 2.26 2.56 0.86 4.92 0.08 0.17 0.66 117.98 129.50 2grg s PHE 20 Ca 0.19 -0.25 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 2grg s PHE 20 Cb -0.16 -1.27 0.15 0.00 -0.57 0.00 0.00 43.02 41.17 2grg s PHE 20 CO 0.10 0.49 1.19 0.34 -0.10 0.00 0.00 175.22 177.25 2grg s ASP 21 N -2.71 3.78 0.56 1.36 2.15 0.12 -1.07 116.67 120.87 2grg s ASP 21 Ca 0.23 0.22 0.30 0.00 0.43 0.00 0.00 52.55 53.74 2grg s ASP 21 Cb -0.09 -0.47 1.70 0.00 -0.30 0.00 0.00 42.92 43.76 2grg s ASP 21 CO 0.14 -2.29 2.17 1.05 -0.17 0.00 0.00 175.17 176.07 2grg h GLU 22 N -1.19 0.00 -0.14 4.34 4.11 -1.90 0.26 114.58 120.06 2grg h GLU 22 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2grg h GLU 22 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2grg h GLU 22 CO 0.45 0.06 0.00 0.09 0.07 0.00 0.00 179.01 179.68 2grg n ASN 23 N -3.63 1.06 -1.42 3.06 3.02 -1.26 -4.89 115.26 111.20 2grg n ASN 23 Ca -0.02 -1.75 -0.15 0.00 -0.03 0.00 0.00 54.58 52.62 2grg n ASN 23 Cb 0.16 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.02 -0.30 -3.14 3.10 4.01 0.92 -4.99 117.16 116.73 2grg n TYR 24 Ca 0.12 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.48 2grg n TYR 24 Cb 0.21 -2.90 -0.06 0.00 -0.31 0.00 0.00 39.34 36.28 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 -2.62 7.13 -0.06 7.72 0.01 -1.26 -4.70 114.94 121.16 2grg s ASN 25 Ca 0.00 1.40 -0.30 0.00 -0.71 0.00 0.00 52.86 53.25 2grg s ASN 25 Cb 0.00 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 2grg s ASN 25 CO 0.00 0.16 1.37 -0.22 -1.51 0.00 0.00 177.10 176.90 2grg s LEU 26 N -1.50 4.27 -0.20 0.60 0.20 -1.26 0.16 118.68 120.95 2grg s LEU 26 Ca 0.36 1.97 -0.11 0.00 0.69 0.00 0.00 54.13 57.04 2grg s LEU 26 Cb -0.19 -3.55 -0.09 0.00 -0.43 0.00 0.00 46.19 41.93 2grg s LEU 26 CO 0.22 -0.74 -0.27 0.18 -0.29 0.00 0.00 176.35 175.44 2grg n LEU 27 N 5.96 1.51 -4.02 -0.68 4.77 0.21 -4.92 117.00 119.84 2grg n LEU 27 Ca 0.14 0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 56.23 2grg n LEU 27 Cb 0.44 -0.62 -0.13 0.00 -2.33 0.00 0.00 43.42 40.78 2grg n LEU 27 CO 0.58 0.34 -0.40 -0.62 -1.33 0.00 0.00 177.39 175.95 2grg s ASP 28 N -6.78 0.77 -0.16 -1.43 -1.08 -0.88 -4.98 116.67 102.13 2grg s ASP 28 Ca -0.29 -0.33 -0.01 0.00 -0.52 0.00 0.00 52.55 51.41 2grg s ASP 28 Cb 0.10 -0.02 0.04 0.00 -1.46 0.00 0.00 42.92 41.59 2grg s ASP 28 CO 0.37 -0.07 -0.04 -0.89 0.52 0.00 0.00 175.17 175.06 2grg s THR 29 N -0.76 1.02 0.11 1.71 2.01 -1.26 -0.34 115.64 118.12 2grg s THR 29 Ca -0.04 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.42 2grg s THR 29 Cb -0.06 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2grg s THR 29 CO 0.00 0.11 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.49 2grg s SER 30 N 1.67 1.63 0.66 3.53 0.01 -0.03 -4.81 113.70 116.36 2grg s SER 30 Ca 0.01 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.40 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 -0.08 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2grg n GLY 31 N 0.36 0.50 0.21 3.44 0.00 -1.26 -0.28 105.19 108.16 2grg n GLY 31 Ca -0.14 -0.80 0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.53 -2.27 116.25 116.13 2grg h VAL 32 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2grg h VAL 32 Cb 0.00 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 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 -1.89 1.21 -0.01 1.67 0.00 -1.16 -1.73 120.51 118.60 2grg n ALA 33 Ca -0.01 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.36 2grg n ALA 33 Cb 0.10 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 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 0.76 0.00 0.00 1.57 -1.58 -3.30 116.57 114.01 2grg h LYS 34 Ca 0.00 -0.65 -0.02 0.00 -1.87 0.00 0.00 60.65 58.11 2grg h LYS 34 Cb 0.09 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2grg h LYS 34 CO 0.00 1.26 -1.09 1.33 -0.57 0.00 0.00 179.45 180.37 2grg n VAL 35 N -3.95 0.65 -2.44 0.50 0.24 -0.70 -4.85 118.33 107.78 2grg n VAL 35 Ca -0.08 -0.56 -0.39 0.00 -2.04 0.00 0.00 64.34 61.27 2grg n VAL 35 Cb 0.76 -0.36 -0.04 0.00 -1.47 0.00 0.00 33.84 32.73 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 -3.33 3.45 0.46 1.34 1.01 -0.82 -5.01 121.20 118.30 2grg s ILE 36 Ca -0.01 1.31 -0.23 0.00 0.00 0.00 0.00 60.65 61.72 2grg s ILE 36 Cb 0.10 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 2grg s ILE 36 CO 0.80 0.20 1.20 -1.83 0.00 0.00 0.00 174.94 175.31 2grg s GLU 37 N -1.92 3.73 0.09 2.79 -1.05 -1.26 -4.90 118.70 116.17 2grg s GLU 37 Ca 0.51 1.86 -0.09 0.00 -0.15 0.00 0.00 54.97 57.10 2grg s GLU 37 Cb -0.29 -2.44 -0.19 0.00 -0.44 0.00 0.00 34.13 30.76 2grg s GLU 37 CO 0.37 -0.60 1.21 0.87 0.95 0.00 0.00 175.26 178.06 2grg h LYS 38 N 2.08 0.50 0.00 -4.83 6.56 -1.95 -3.49 116.57 115.44 2grg h LYS 38 Ca -0.49 -0.61 0.11 0.00 -1.06 0.00 0.00 60.65 58.60 2grg h LYS 38 Cb 1.25 0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 33.07 2grg h LYS 38 CO 0.60 1.23 -0.14 -1.13 -2.06 0.00 0.00 179.45 177.95 2grg n SER 39 N -3.75 -4.23 -1.69 0.86 3.41 -1.26 -3.28 113.62 103.67 2grg n SER 39 Ca -0.10 0.42 -0.04 0.00 -0.26 0.00 0.00 58.87 58.90 2grg n SER 39 Cb 0.91 -1.29 -0.05 0.00 -0.26 0.00 0.00 64.21 63.52 2grg n SER 39 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2grg n PRO 40 N -1.88 1.23 -0.34 4.33 -0.04 -1.26 -4.50 135.00 132.54 2grg n PRO 40 Ca 0.00 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 2grg n PRO 40 Cb 0.18 -1.33 0.17 0.00 -0.04 0.00 0.00 33.50 32.48 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 1.39 1.18 -0.57 0.52 2.04 -1.93 -2.06 117.51 118.07 2grg h ILE 41 Ca 0.06 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.56 2grg h ILE 41 Cb 1.09 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2grg h ILE 41 CO 0.08 0.22 0.38 0.00 0.00 0.00 0.00 178.15 178.83 2grg h ALA 42 N 1.44 1.84 -0.40 1.87 0.00 -1.85 0.26 119.26 122.40 2grg h ALA 42 Ca 0.37 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 2grg h ALA 42 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2grg h ALA 42 CO -0.11 0.07 -0.16 1.49 0.00 0.00 0.00 179.25 180.54 2grg h GLU 43 N 0.55 0.75 0.00 0.00 4.81 -1.74 -2.24 114.58 116.71 2grg h GLU 43 Ca 0.25 -0.27 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 2grg h GLU 43 Cb 0.28 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2grg h GLU 43 CO -0.07 0.87 -0.69 0.82 -0.73 0.00 0.00 179.01 179.20 2grg h ILE 44 N 0.67 1.30 -0.36 2.32 1.08 -0.86 -2.80 117.51 118.86 2grg h ILE 44 Ca 0.11 -2.55 -0.01 0.00 -0.39 0.00 0.00 64.86 62.01 2grg h ILE 44 Cb 0.64 2.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.83 2grg h ILE 44 CO 0.05 0.68 0.17 0.40 -0.69 0.00 0.00 178.15 178.76 2grg h ILE 45 N 0.00 1.17 -0.42 -0.67 2.04 -0.16 0.20 117.51 119.66 2grg h ILE 45 Ca -0.01 -0.47 -0.13 0.00 1.00 0.00 0.00 64.86 65.25 2grg h ILE 45 Cb 1.40 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2grg h ILE 45 CO 0.09 0.18 -0.26 0.08 0.00 0.00 0.00 178.15 178.24 2grg h ARG 46 N 0.45 0.89 -0.31 2.37 0.11 -1.43 0.39 114.38 116.85 2grg h ARG 46 Ca 0.12 -0.39 0.01 0.00 0.10 0.00 0.00 59.98 59.83 2grg h ARG 46 Cb 0.12 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 2grg h ARG 46 CO -0.02 1.04 0.18 0.87 0.10 0.00 0.00 179.97 182.14 2grg h LYS 47 N 0.76 0.36 0.00 0.08 1.57 -1.27 -1.62 116.57 116.44 2grg h LYS 47 Ca 0.09 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2grg h LYS 47 Cb 0.81 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 2grg h LYS 47 CO 0.07 0.24 -0.12 0.77 -0.57 0.00 0.00 179.45 179.83 2grg h SER 48 N 0.37 0.00 -0.04 0.86 0.02 -0.32 -2.02 113.55 112.42 2grg h SER 48 Ca 0.12 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 2grg h SER 48 Cb -0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2grg h SER 48 CO -0.05 0.12 -0.24 -1.13 -1.14 0.00 0.00 176.83 174.39 2grg h ASN 49 N 0.00 0.45 1.59 3.07 -1.24 0.71 0.21 115.58 120.37 2grg h ASN 49 Ca -0.00 -0.15 -0.08 0.00 0.71 0.00 0.00 56.30 56.78 2grg h ASN 49 Cb 0.57 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 2grg h ASN 49 CO 0.02 0.70 -0.40 0.00 -1.29 0.00 0.00 177.43 176.45 2grg h ALA 50 N 1.34 0.74 0.10 1.57 0.00 -0.88 -3.32 119.26 118.82 2grg h ALA 50 Ca 0.06 -0.36 -0.28 0.00 0.00 0.00 0.00 54.91 54.33 2grg h ALA 50 Cb 0.65 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.39 2grg h ALA 50 CO 0.05 0.50 -1.19 0.93 0.00 0.00 0.00 179.25 179.54 2grg h GLU 51 N 0.00 0.53 0.00 0.00 4.39 -0.66 -3.49 114.58 115.36 2grg h GLU 51 Ca -0.00 -0.70 -0.27 0.00 0.34 0.00 0.00 59.36 58.72 2grg h GLU 51 Cb 1.30 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 30.11 2grg h GLU 51 CO 0.05 1.30 -0.23 1.47 -1.16 0.00 0.00 179.01 180.45 2grg n LEU 52 N -3.74 0.00 0.00 1.33 -0.00 0.65 -5.08 117.00 110.16 2grg n LEU 52 Ca -0.12 -2.03 0.00 0.00 -0.00 0.00 0.00 56.01 53.86 2grg n LEU 52 Cb 0.96 1.34 0.00 0.00 -0.00 0.00 0.00 43.42 45.72 2grg n LEU 52 CO 0.56 -0.38 0.00 0.61 -0.00 0.00 0.00 177.39 178.18 2grg n GLY 53 N -0.41 -0.01 1.13 1.47 0.00 -1.26 -4.57 105.19 101.54 2grg n GLY 53 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.37 2.43 -3.37 1.61 3.00 -1.26 -3.15 116.66 113.55 2grg n ARG 54 Ca 0.00 -2.20 -0.19 0.00 -0.00 0.00 0.00 57.85 55.46 2grg n ARG 54 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 32.46 30.96 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 -1.17 3.78 -0.49 6.15 2.01 -1.26 -3.49 118.68 124.21 2grg s LEU 55 Ca 0.41 -0.34 -0.03 0.00 0.01 0.00 0.00 54.13 54.18 2grg s LEU 55 Cb 0.22 -2.60 0.13 0.00 0.01 0.00 0.00 46.19 43.95 2grg s LEU 55 CO 0.30 -0.54 0.30 -0.83 1.01 0.00 0.00 176.35 176.58 2grg s GLY 56 N -4.20 2.18 0.19 -3.19 0.00 0.97 -4.33 107.32 98.94 2grg s GLY 56 Ca 0.48 -2.81 -0.30 0.00 0.00 0.00 0.00 44.72 42.09 2grg s GLY 56 CO 0.31 1.06 1.24 -0.47 0.00 0.00 0.00 173.10 175.24 2grg s TYR 57 N 0.70 3.36 -0.39 1.90 5.04 -1.11 -4.14 117.35 122.71 2grg s TYR 57 Ca 0.11 1.35 -0.28 0.00 -2.44 0.00 0.00 57.07 55.81 2grg s TYR 57 Cb -0.22 -3.50 -0.02 0.00 0.35 0.00 0.00 41.96 38.58 2grg s TYR 57 CO -0.04 -1.46 1.77 -1.12 -1.34 0.00 0.00 175.55 173.37 2grg s SER 58 N 0.22 5.82 -0.17 4.32 0.01 -1.26 -0.53 113.70 122.12 2grg s SER 58 Ca 0.54 1.09 0.11 0.00 1.31 0.00 0.00 55.95 59.00 2grg s SER 58 Cb -0.34 -2.53 -0.18 0.00 0.21 0.00 0.00 66.02 63.18 2grg s SER 58 CO 0.37 -1.80 -0.00 1.33 0.41 0.00 0.00 173.24 173.55 2grg n VAL 59 N 7.35 1.11 -3.85 3.43 0.24 0.44 -4.83 118.33 122.22 2grg n VAL 59 Ca 0.22 -0.62 -0.30 0.00 -2.04 0.00 0.00 64.34 61.59 2grg n VAL 59 Cb 0.48 -0.73 -0.15 0.00 -1.47 0.00 0.00 33.84 31.97 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 -2.39 2.47 -0.36 6.34 5.04 -1.13 -4.98 117.35 122.35 2grg s TYR 60 Ca -0.13 -2.18 -0.13 0.00 -2.44 0.00 0.00 57.07 52.19 2grg s TYR 60 Cb 0.05 -2.13 -0.01 0.00 0.35 0.00 0.00 41.96 40.23 2grg s TYR 60 CO 0.61 -0.89 0.25 -2.00 -1.34 0.00 0.00 175.55 172.18 2grg s GLU 61 N 1.35 3.34 0.34 4.97 2.12 -1.26 0.55 118.70 130.12 2grg s GLU 61 Ca 0.09 -0.75 0.09 0.00 0.36 0.00 0.00 54.97 54.76 2grg s GLU 61 Cb -0.18 -3.84 -0.05 0.00 0.26 0.00 0.00 34.13 30.32 2grg s GLU 61 CO -0.18 -0.53 0.08 0.34 -0.54 0.00 0.00 175.26 174.44 2grg s ASP 62 N 1.71 4.43 0.50 -1.70 2.15 0.12 -5.02 116.67 118.85 2grg s ASP 62 Ca 0.06 -0.89 0.33 0.00 0.43 0.00 0.00 52.55 52.47 2grg s ASP 62 Cb -0.18 -0.62 1.42 0.00 -0.30 0.00 0.00 42.92 43.24 2grg s ASP 62 CO 0.10 -0.28 1.97 0.00 -0.17 0.00 0.00 175.17 176.79 2grg h ALA 63 N 1.67 1.00 0.00 3.66 0.00 -2.03 -3.26 119.26 120.29 2grg h ALA 63 Ca -0.43 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.15 2grg h ALA 63 Cb 1.25 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2grg h ALA 63 CO 0.65 0.00 -2.06 1.04 0.00 0.00 0.00 179.25 178.88 2grg n GLN 64 N -2.89 0.57 -4.36 0.00 6.02 -1.26 -4.91 117.38 110.55 2grg n GLN 64 Ca 0.00 0.25 -0.18 0.00 -0.01 0.00 0.00 57.00 57.06 2grg n GLN 64 Cb 0.25 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.93 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 -2.63 1.69 -0.05 1.08 2.02 -1.23 -1.87 117.35 116.36 2grg s TYR 65 Ca -0.36 -1.04 0.00 0.00 -0.37 0.00 0.00 57.07 55.31 2grg s TYR 65 Cb 0.12 -1.03 0.02 0.00 -0.40 0.00 0.00 41.96 40.67 2grg s TYR 65 CO 0.47 -0.15 -0.03 0.42 -1.57 0.00 0.00 175.55 174.70 2grg s ILE 66 N -3.52 0.49 0.05 2.71 1.01 0.13 -0.70 121.20 121.37 2grg s ILE 66 Ca 0.35 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 2grg s ILE 66 Cb 0.08 -0.55 -0.06 0.00 0.01 0.00 0.00 42.46 41.94 2grg s ILE 66 CO 0.13 0.23 0.39 -0.83 0.00 0.00 0.00 174.94 174.86 2grg s GLY 67 N 1.20 2.37 -0.09 6.18 0.00 0.19 -1.21 107.32 115.96 2grg s GLY 67 Ca -0.07 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 44.32 2grg s GLY 67 CO -0.02 -0.10 -0.13 0.30 0.00 0.00 0.00 173.10 173.16 2grg s HIS 68 N -1.29 1.66 -0.15 1.90 0.09 -0.23 -0.42 115.29 116.84 2grg s HIS 68 Ca 0.30 -0.70 -0.27 0.00 -0.00 0.00 0.00 55.06 54.38 2grg s HIS 68 Cb -0.15 -1.22 -0.01 0.00 -0.00 0.00 0.00 32.58 31.20 2grg s HIS 68 CO 0.16 -0.37 0.93 0.00 -0.00 0.00 0.00 174.74 175.46 2grg s ALA 69 N 0.88 3.49 -0.01 -1.40 0.00 0.31 -1.03 121.76 124.00 2grg s ALA 69 Ca -0.10 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.12 2grg s ALA 69 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 2grg s ALA 69 CO 0.01 -0.68 -0.22 -0.06 0.00 0.00 0.00 175.76 174.81 2grg s PHE 70 N 2.21 2.46 -0.26 0.00 0.40 0.33 -2.76 117.98 120.36 2grg s PHE 70 Ca 0.43 -0.34 -0.25 0.00 -0.60 0.00 0.00 56.93 56.17 2grg s PHE 70 Cb -0.17 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 41.84 2grg s PHE 70 CO 0.14 0.08 0.86 0.15 0.70 0.00 0.00 175.22 177.15 2grg s LYS 71 N -0.84 4.14 0.37 0.44 3.01 -1.19 -1.83 119.74 123.85 2grg s LYS 71 Ca 0.11 0.92 0.03 0.00 -1.01 0.00 0.00 55.97 56.02 2grg s LYS 71 Cb -0.10 -3.67 0.03 0.00 -1.01 0.00 0.00 37.83 33.08 2grg s LYS 71 CO 0.01 -0.59 0.24 1.63 0.51 0.00 0.00 175.35 177.15 2grg n LYS 72 N 6.13 0.97 -1.89 1.68 4.76 0.56 -4.82 118.16 125.55 2grg n LYS 72 Ca 0.06 -2.40 -0.28 0.00 -2.87 0.00 0.00 58.31 52.82 2grg n LYS 72 Cb 0.47 0.32 -0.05 0.00 -1.84 0.00 0.00 35.03 33.94 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 -2.55 1.59 -0.73 7.82 0.00 -1.26 -2.61 121.76 124.01 2grg s ALA 73 Ca 0.18 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2grg s ALA 73 Cb -0.01 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2grg s ALA 73 CO 0.11 -4.76 0.00 0.41 0.00 0.00 0.00 175.76 171.52 2grg n GLY 74 N 6.45 0.80 3.31 0.00 0.00 -1.26 -4.94 105.19 109.54 2grg n GLY 74 Ca 0.36 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.90 1.15 -0.15 1.61 4.02 -1.07 -3.74 115.29 115.21 2grg s HIS 75 Ca 0.00 -1.33 -0.01 0.00 1.02 0.00 0.00 55.06 54.74 2grg s HIS 75 Cb 0.00 -0.43 0.04 0.00 -1.02 0.00 0.00 32.58 31.17 2grg s HIS 75 CO 0.00 -0.80 -0.05 -0.06 1.02 0.00 0.00 174.74 174.86 2grg s PHE 76 N -3.87 1.54 -0.05 1.40 0.08 -0.23 -0.32 117.98 116.53 2grg s PHE 76 Ca 0.36 -0.94 0.05 0.00 0.12 0.00 0.00 56.93 56.52 2grg s PHE 76 Cb 0.04 -1.24 -0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2grg s PHE 76 CO 0.16 -0.58 -0.21 0.42 -0.10 0.00 0.00 175.22 174.91 2grg s ILE 77 N 1.69 1.73 -0.34 0.64 1.01 -0.76 0.46 121.20 125.63 2grg s ILE 77 Ca 0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 2grg s ILE 77 Cb -0.15 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.85 2grg s ILE 77 CO -0.08 0.49 0.19 -0.69 0.00 0.00 0.00 174.94 174.85 2grg s VAL 78 N 0.00 4.69 -0.24 2.92 1.01 0.76 -0.51 120.40 129.03 2grg s VAL 78 Ca -0.05 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 2grg s VAL 78 Cb -0.13 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2grg s VAL 78 CO 0.03 -0.07 0.53 -0.31 0.00 0.00 0.00 175.10 175.28 2grg s TYR 79 N 1.60 3.31 -0.31 5.22 1.51 -0.20 -0.19 117.35 128.30 2grg s TYR 79 Ca 0.04 0.71 -0.15 0.00 -1.01 0.00 0.00 57.07 56.65 2grg s TYR 79 Cb -0.18 -2.71 -0.02 0.00 -0.11 0.00 0.00 41.96 38.94 2grg s TYR 79 CO 0.07 -0.21 0.38 -0.06 -1.11 0.00 0.00 175.55 174.62 2grg s PHE 80 N 2.06 3.22 0.27 2.71 0.40 0.96 -1.07 117.98 126.53 2grg s PHE 80 Ca 0.23 0.22 0.09 0.00 -0.60 0.00 0.00 56.93 56.87 2grg s PHE 80 Cb -0.16 -2.65 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 2grg s PHE 80 CO 0.09 -0.34 0.05 0.95 0.70 0.00 0.00 175.22 176.67 2grg s THR 81 N 2.09 3.54 0.74 0.64 -4.23 -0.35 0.10 115.64 118.17 2grg s THR 81 Ca 0.14 -1.81 -0.15 0.00 -1.18 0.00 0.00 61.69 58.70 2grg s THR 81 Cb -0.16 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.78 2grg s THR 81 CO 0.11 -0.34 1.21 -2.16 -0.54 0.00 0.00 174.62 172.89 2grg s PRO 82 N -3.72 2.08 -0.84 3.99 0.04 -1.26 0.21 135.00 135.49 2grg s PRO 82 Ca 0.32 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.81 2grg s PRO 82 Cb -0.06 -1.83 -0.18 0.00 0.04 0.00 0.00 34.50 32.47 2grg s PRO 82 CO 0.21 -1.88 2.59 1.63 0.04 0.00 0.00 177.00 179.59 2grg n LYS 83 N -2.79 0.25 -3.69 4.56 5.02 -0.78 -4.42 118.16 116.31 2grg n LYS 83 Ca 0.13 0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 56.08 2grg n LYS 83 Cb 0.50 -1.94 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 2grg n LYS 83 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2grg s ASN 84 N 9.44 5.58 -0.42 4.39 3.84 -1.26 -4.93 114.94 131.58 2grg s ASN 84 Ca 1.26 -3.38 0.05 0.00 0.21 0.00 0.00 52.86 51.00 2grg s ASN 84 Cb -1.04 -1.86 0.18 0.00 -0.55 0.00 0.00 41.25 37.98 2grg s ASN 84 CO 0.45 -0.25 0.41 1.17 -2.79 0.00 0.00 177.10 176.09 2grg n LYS 85 N 2.77 0.29 -3.32 0.43 4.81 -1.26 -5.12 118.16 116.76 2grg n LYS 85 Ca 0.16 -3.04 -0.31 0.00 -0.87 0.00 0.00 58.31 54.25 2grg n LYS 85 Cb 0.37 -1.59 -0.04 0.00 0.02 0.00 0.00 35.03 33.79 2grg n LYS 85 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2grg s ASN 86 N -0.04 6.56 -1.15 3.14 2.47 -1.26 -4.98 114.94 119.68 2grg s ASN 86 Ca 0.33 0.90 -0.21 0.00 0.42 0.00 0.00 52.86 54.29 2grg s ASN 86 Cb 0.06 -2.22 0.01 0.00 -1.45 0.00 0.00 41.25 37.65 2grg s ASN 86 CO -0.17 -0.15 1.75 -0.60 -3.72 0.00 0.00 177.10 174.20 2grg s ARG 87 N -3.17 3.32 0.07 0.43 6.06 -1.26 -4.89 118.95 119.51 2grg s ARG 87 Ca 0.47 -1.33 0.01 0.00 -2.50 0.00 0.00 55.73 52.37 2grg s ARG 87 Cb -0.11 -5.35 -0.04 0.00 0.06 0.00 0.00 34.95 29.51 2grg s ARG 87 CO 0.25 -2.83 -0.05 -1.21 -2.50 0.00 0.00 175.30 168.95 2grg s GLU 88 N 5.37 0.67 -0.28 5.12 2.02 -1.26 -5.04 118.70 125.29 2grg s GLU 88 Ca 0.58 -1.14 0.04 0.00 0.02 0.00 0.00 54.97 54.47 2grg s GLU 88 Cb 0.00 -0.06 0.48 0.00 0.10 0.00 0.00 34.13 34.65 2grg s GLU 88 CO 0.04 -0.04 1.58 0.41 0.02 0.00 0.00 175.26 177.27 2grg n GLY 89 N 0.40 3.48 3.67 -1.39 0.00 -1.26 -4.91 105.19 105.18 2grg n GLY 89 Ca -0.15 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.25 4.82 -0.17 1.61 1.01 -1.26 -5.03 120.40 119.14 2grg s VAL 90 Ca 0.39 1.78 -0.01 0.00 0.00 0.00 0.00 61.98 64.14 2grg s VAL 90 Cb 0.32 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.54 2grg s VAL 90 CO 0.08 -0.02 -0.02 0.54 0.00 0.00 0.00 175.10 175.67 2grg s VAL 91 N 2.37 0.91 0.62 2.92 0.11 -1.26 -4.97 120.40 121.09 2grg s VAL 91 Ca 0.41 -0.56 -0.18 0.00 -2.93 0.00 0.00 61.98 58.72 2grg s VAL 91 Cb -0.16 -1.17 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 2grg s VAL 91 CO 0.12 0.05 1.18 -2.84 -3.33 0.00 0.00 175.10 170.28 2grg s PRO 92 N 1.71 2.87 0.99 1.54 0.02 -1.26 -5.02 135.00 135.85 2grg s PRO 92 Ca 0.00 1.73 -0.12 0.00 0.02 0.00 0.00 61.00 62.63 2grg s PRO 92 Cb -0.16 -1.93 0.19 0.00 0.02 0.00 0.00 34.50 32.62 2grg s PRO 92 CO -0.07 -1.26 1.08 -2.14 -0.33 0.00 0.00 177.00 174.28 2grg s PRO 93 N -3.52 0.46 0.00 5.54 0.02 -1.26 -4.73 135.00 131.51 2grg s PRO 93 Ca 0.75 0.93 0.18 0.00 0.02 0.00 0.00 61.00 62.88 2grg s PRO 93 Cb -0.28 -1.71 0.61 0.00 0.02 0.00 0.00 34.50 33.14 2grg s PRO 93 CO 0.35 -2.82 1.46 1.55 -0.33 0.00 0.00 177.00 177.21 2grg n VAL 94 N -4.30 0.31 -0.19 3.83 3.14 -1.26 -4.74 118.33 115.12 2grg n VAL 94 Ca 0.06 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 2grg n VAL 94 Cb 0.55 0.36 0.00 0.00 -1.06 0.00 0.00 33.84 33.69 2grg n VAL 94 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2grg n GLY 95 N 1.14 0.90 0.11 7.55 0.00 -1.26 -4.70 105.19 108.93 2grg n GLY 95 Ca 0.15 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2grg n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2grg h ILE 96 N 0.00 0.83 -3.78 -0.61 2.10 -2.00 -3.46 117.51 110.59 2grg h ILE 96 Ca 0.00 -2.28 -0.49 0.00 1.08 0.00 0.00 64.86 63.18 2grg h ILE 96 Cb 0.00 2.34 -0.02 0.00 -1.09 0.00 0.00 36.82 38.05 2grg h ILE 96 CO 0.00 0.47 0.14 0.42 -1.08 0.00 0.00 178.15 178.10 2grg s THR 97 N -2.92 4.65 0.00 2.19 -4.23 -1.26 -5.26 115.64 108.82 2grg s THR 97 Ca 0.01 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 2grg s THR 97 Cb 0.08 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.30 2grg s THR 97 CO 0.78 -0.26 0.00 -3.20 -0.54 0.00 0.00 174.62 171.40