#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grg h PRO 11 N 0.00 0.09 -3.80 0.00 0.11 -1.91 -3.43 132.00 123.05 3grg h PRO 11 Ca 0.00 -0.03 -0.40 0.00 0.11 0.00 0.00 66.00 65.68 3grg h PRO 11 Cb 0.00 -0.01 -0.36 0.00 0.11 0.00 0.00 31.00 30.75 3grg h PRO 11 CO 0.00 0.39 -0.76 -1.17 -0.21 0.00 0.00 178.00 176.25 3grg s LEU 12 N -8.37 0.96 0.06 2.35 0.20 -1.26 -0.40 118.68 112.22 3grg s LEU 12 Ca -0.04 -0.08 0.04 0.00 0.69 0.00 0.00 54.13 54.74 3grg s LEU 12 Cb 0.15 -0.38 -0.03 0.00 -0.43 0.00 0.00 46.19 45.49 3grg s LEU 12 CO 0.73 -0.13 -0.11 -0.32 -0.29 0.00 0.00 176.35 176.24 3grg s MET 13 N 1.40 0.67 -0.07 1.98 1.75 -0.27 -4.29 119.30 120.47 3grg s MET 13 Ca -0.04 -0.86 0.02 0.00 -1.25 0.00 0.00 55.69 53.56 3grg s MET 13 Cb -0.13 -0.54 0.01 0.00 2.84 0.00 0.00 34.83 37.01 3grg s MET 13 CO -0.03 0.11 -0.13 0.08 -0.65 0.00 0.00 175.02 174.41 3grg s VAL 14 N -1.39 1.20 -0.09 10.11 1.01 -1.12 -1.02 120.40 129.10 3grg s VAL 14 Ca -0.06 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3grg s VAL 14 Cb -0.10 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.20 3grg s VAL 14 CO 0.01 0.37 -0.18 -0.75 0.00 0.00 0.00 175.10 174.56 3grg s LYS 15 N 0.72 2.36 -0.09 2.72 2.20 -0.03 -0.99 119.74 126.64 3grg s LYS 15 Ca -0.13 -0.63 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 3grg s LYS 15 Cb -0.16 -1.88 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 3grg s LYS 15 CO 0.03 0.06 -0.15 0.08 -0.36 0.00 0.00 175.35 175.01 3grg s VAL 16 N 0.64 1.42 0.00 4.02 1.01 0.06 -0.72 120.40 126.82 3grg s VAL 16 Ca -0.14 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3grg s VAL 16 Cb -0.16 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3grg s VAL 16 CO 0.04 0.42 -0.17 -0.76 0.00 0.00 0.00 175.10 174.63 3grg s LEU 17 N 0.80 2.63 -0.50 3.92 1.43 0.13 -1.50 118.68 125.59 3grg s LEU 17 Ca -0.11 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 52.45 3grg s LEU 17 Cb -0.16 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.58 3grg s LEU 17 CO 0.02 0.30 0.69 -0.62 0.23 0.00 0.00 176.35 176.96 3grg s ASP 18 N -1.11 6.26 0.05 2.29 -1.08 0.84 -1.32 116.67 122.61 3grg s ASP 18 Ca 0.13 -0.70 0.28 0.00 -0.52 0.00 0.00 52.55 51.74 3grg s ASP 18 Cb -0.11 -2.32 1.11 0.00 -1.46 0.00 0.00 42.92 40.14 3grg s ASP 18 CO 0.03 -0.94 1.87 0.00 0.52 0.00 0.00 175.17 176.65 3grg n ALA 19 N 6.45 2.28 -0.05 3.66 0.00 -0.31 -1.42 120.51 131.12 3grg n ALA 19 Ca -0.04 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 3grg n ALA 19 Cb 0.46 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 3grg n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3grg h VAL 20 N 0.00 1.71 -0.01 0.00 2.07 -1.92 -3.38 116.25 114.72 3grg h VAL 20 Ca 0.00 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3grg h VAL 20 Cb 0.54 3.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 3grg h VAL 20 CO 0.00 0.58 -0.51 0.54 0.02 0.00 0.00 177.57 178.20 3grg n ARG 21 N -4.57 0.88 -3.17 1.57 1.74 -1.22 -4.99 116.66 106.89 3grg n ARG 21 Ca -0.10 -0.69 -0.14 0.00 -0.77 0.00 0.00 57.85 56.15 3grg n ARG 21 Cb 0.49 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.52 3grg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3grg n GLY 22 N 1.42 -0.71 3.25 -0.13 0.00 -0.50 -5.05 105.19 103.46 3grg n GLY 22 Ca 0.09 0.33 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 3grg n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3grg s SER 23 N -3.69 0.14 0.53 1.61 1.04 -1.01 -5.02 113.70 107.30 3grg s SER 23 Ca 0.26 -0.87 -0.21 0.00 0.48 0.00 0.00 55.95 55.61 3grg s SER 23 Cb -0.03 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 3grg s SER 23 CO 0.67 -0.80 1.24 -2.16 0.98 0.00 0.00 173.24 173.17 3grg s PRO 24 N -3.94 3.33 -0.44 4.02 0.04 -1.26 -0.11 135.00 136.64 3grg s PRO 24 Ca 0.14 1.94 -0.23 0.00 0.04 0.00 0.00 61.00 62.89 3grg s PRO 24 Cb 0.05 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.39 3grg s PRO 24 CO -0.04 -0.95 0.78 0.00 0.04 0.00 0.00 177.00 176.83 3grg s ALA 25 N -1.48 3.31 -0.11 8.56 0.00 -0.56 -4.55 121.76 126.93 3grg s ALA 25 Ca 0.70 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 3grg s ALA 25 Cb -0.33 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3grg s ALA 25 CO 0.38 -1.86 0.05 0.42 0.00 0.00 0.00 175.76 174.76 3grg s ILE 26 N 3.24 4.70 -1.53 0.00 1.01 -1.26 -4.28 121.20 123.07 3grg s ILE 26 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 3grg s ILE 26 Cb -0.12 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3grg s ILE 26 CO 0.22 0.58 0.41 0.59 0.00 0.00 0.00 174.94 176.74 3grg n ASN 27 N 2.35 -5.81 -4.76 3.58 3.02 0.22 -4.89 115.26 108.97 3grg n ASN 27 Ca -0.19 -0.20 -0.36 0.00 -0.03 0.00 0.00 54.58 53.80 3grg n ASN 27 Cb 0.54 -4.69 -0.07 0.00 -0.61 0.00 0.00 39.78 34.94 3grg n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3grg s VAL 28 N -3.10 5.31 0.31 2.41 1.01 -1.26 -4.67 120.40 120.42 3grg s VAL 28 Ca 0.20 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 3grg s VAL 28 Cb -0.09 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 3grg s VAL 28 CO 0.25 0.45 1.19 0.00 0.00 0.00 0.00 175.10 177.00 3grg s ALA 29 N 0.05 3.43 -0.05 5.51 0.00 -1.26 -0.42 121.76 129.02 3grg s ALA 29 Ca 0.16 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3grg s ALA 29 Cb -0.13 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.62 3grg s ALA 29 CO 0.04 -0.39 -0.05 0.08 0.00 0.00 0.00 175.76 175.45 3grg s VAL 30 N -1.17 0.58 -0.11 0.00 1.01 0.22 -1.16 120.40 119.77 3grg s VAL 30 Ca 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3grg s VAL 30 Cb -0.35 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3grg s VAL 30 CO 0.46 0.24 -0.11 -1.00 0.00 0.00 0.00 175.10 174.69 3grg s HIS 31 N 1.02 2.83 -0.06 5.22 3.76 0.13 -1.83 115.29 126.35 3grg s HIS 31 Ca -0.09 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.44 3grg s HIS 31 Cb -0.14 -1.79 -0.02 0.00 1.11 0.00 0.00 32.58 31.73 3grg s HIS 31 CO -0.00 -0.03 -0.14 0.08 -0.85 0.00 0.00 174.74 173.79 3grg s VAL 32 N -0.03 3.06 0.15 -0.90 1.01 0.11 0.15 120.40 123.94 3grg s VAL 32 Ca -0.02 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3grg s VAL 32 Cb -0.14 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3grg s VAL 32 CO 0.04 0.58 -0.15 -0.36 0.00 0.00 0.00 175.10 175.20 3grg s PHE 33 N -0.53 1.57 -0.04 5.22 0.40 -0.05 -0.49 117.98 124.06 3grg s PHE 33 Ca 0.07 -0.54 0.04 0.00 -0.60 0.00 0.00 56.93 55.91 3grg s PHE 33 Cb -0.12 -0.79 -0.00 0.00 0.51 0.00 0.00 43.02 42.62 3grg s PHE 33 CO 0.01 0.23 -0.16 0.50 0.70 0.00 0.00 175.22 176.50 3grg s ARG 34 N -2.88 1.61 0.04 0.44 3.52 -0.23 -1.15 118.95 120.30 3grg s ARG 34 Ca 0.13 -0.57 -0.31 0.00 -0.13 0.00 0.00 55.73 54.85 3grg s ARG 34 Cb -0.04 -1.43 -0.07 0.00 -1.56 0.00 0.00 34.95 31.84 3grg s ARG 34 CO 0.04 0.25 1.49 0.15 -0.81 0.00 0.00 175.30 176.42 3grg s LYS 35 N -0.03 4.26 0.44 5.12 -0.14 0.19 -1.35 119.74 128.23 3grg s LYS 35 Ca -0.02 2.11 0.01 0.00 -1.36 0.00 0.00 55.97 56.71 3grg s LYS 35 Cb -0.10 -3.53 -0.00 0.00 -1.68 0.00 0.00 37.83 32.52 3grg s LYS 35 CO 0.01 -0.61 0.65 0.00 -0.76 0.00 0.00 175.35 174.64 3grg s ALA 36 N 2.27 3.80 0.29 5.17 0.00 0.50 -4.70 121.76 129.10 3grg s ALA 36 Ca 0.67 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.54 3grg s ALA 36 Cb -0.35 -2.09 0.69 0.00 0.00 0.00 0.00 23.12 21.36 3grg s ALA 36 CO 0.29 -0.34 1.59 0.00 0.00 0.00 0.00 175.76 177.30 3grg h ALA 37 N 0.45 1.11 -0.02 0.00 0.00 -1.94 0.12 119.26 118.98 3grg h ALA 37 Ca -0.46 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3grg h ALA 37 Cb 1.25 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3grg h ALA 37 CO 0.57 -0.53 0.00 -0.40 0.00 0.00 0.00 179.25 178.89 3grg n ASP 38 N -5.43 0.74 -1.18 0.00 5.75 -1.26 -4.83 116.55 110.34 3grg n ASP 38 Ca 0.21 -2.01 -0.12 0.00 -0.01 0.00 0.00 54.79 52.86 3grg n ASP 38 Cb 0.70 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.44 3grg n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3grg n ASP 39 N -0.15 -4.09 -4.75 -1.12 -0.08 0.42 -5.02 116.55 101.76 3grg n ASP 39 Ca 0.01 0.12 -0.26 0.00 -1.51 0.00 0.00 54.79 53.14 3grg n ASP 39 Cb 0.18 -3.03 -0.06 0.00 2.34 0.00 0.00 41.12 40.55 3grg n ASP 39 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3grg s THR 40 N -2.53 4.24 -0.32 5.18 -4.23 -1.25 -4.91 115.64 111.81 3grg s THR 40 Ca 0.00 -1.18 -0.28 0.00 -1.18 0.00 0.00 61.69 59.05 3grg s THR 40 Cb 0.00 -3.15 0.01 0.00 1.34 0.00 0.00 72.50 70.70 3grg s THR 40 CO 0.00 -0.10 1.03 0.26 -0.54 0.00 0.00 174.62 175.26 3grg s TRP 41 N -1.74 3.15 -0.18 3.99 0.52 -1.26 -0.37 118.94 123.04 3grg s TRP 41 Ca 0.30 1.11 -0.15 0.00 0.02 0.00 0.00 56.10 57.38 3grg s TRP 41 Cb -0.10 -3.63 -0.04 0.00 -1.15 0.00 0.00 33.47 28.55 3grg s TRP 41 CO 0.22 -0.75 0.35 -2.00 0.02 0.00 0.00 176.95 174.79 3grg s GLU 42 N 3.55 4.21 0.36 4.98 2.12 -0.46 -4.89 118.70 128.58 3grg s GLU 42 Ca 0.43 0.15 -0.27 0.00 0.36 0.00 0.00 54.97 55.64 3grg s GLU 42 Cb -0.12 -3.49 -0.12 0.00 0.26 0.00 0.00 34.13 30.65 3grg s GLU 42 CO 0.15 0.07 1.24 -2.30 -0.54 0.00 0.00 175.26 173.89 3grg n PRO 43 N 4.11 1.97 0.00 4.30 -0.02 -1.26 -1.07 135.00 143.04 3grg n PRO 43 Ca -0.10 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3grg n PRO 43 Cb 0.51 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3grg n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3grg n PHE 44 N 0.16 0.00 -3.55 6.00 7.35 0.36 -4.78 117.46 123.00 3grg n PHE 44 Ca 0.06 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.66 3grg n PHE 44 Cb 0.37 0.08 -0.03 0.00 0.35 0.00 0.00 39.48 40.24 3grg n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3grg s ALA 45 N -1.85 -1.89 0.31 3.13 0.00 -1.06 -5.01 121.76 115.40 3grg s ALA 45 Ca 0.00 1.33 -0.13 0.00 0.00 0.00 0.00 51.96 53.16 3grg s ALA 45 Cb 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3grg s ALA 45 CO 0.00 -0.50 0.61 -1.54 0.00 0.00 0.00 175.76 174.33 3grg s SER 46 N -1.81 0.12 0.00 0.00 1.04 -1.26 0.06 113.70 111.85 3grg s SER 46 Ca 0.02 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.40 3grg s SER 46 Cb -0.01 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3grg s SER 46 CO -0.04 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.43 3grg n GLY 47 N -0.48 -1.40 3.17 7.32 0.00 -0.76 -4.99 105.19 108.05 3grg n GLY 47 Ca -0.03 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 3grg n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3grg s LYS 48 N -1.38 1.06 0.56 1.61 1.02 -1.26 -0.61 119.74 120.73 3grg s LYS 48 Ca 0.00 -0.80 -0.20 0.00 0.02 0.00 0.00 55.97 54.98 3grg s LYS 48 Cb 0.00 -1.10 -0.05 0.00 -0.52 0.00 0.00 37.83 36.16 3grg s LYS 48 CO 0.00 0.28 1.24 0.95 -0.92 0.00 0.00 175.35 176.89 3grg s THR 49 N -0.82 2.57 0.23 2.17 -4.23 0.44 -4.80 115.64 111.20 3grg s THR 49 Ca 0.03 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.89 3grg s THR 49 Cb -0.08 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.64 3grg s THR 49 CO 0.01 -0.05 0.31 -1.54 -0.54 0.00 0.00 174.62 172.82 3grg n SER 50 N -1.25 0.06 0.27 3.99 3.41 0.83 -0.61 113.62 120.33 3grg n SER 50 Ca 0.12 -1.14 0.18 0.00 -0.26 0.00 0.00 58.87 57.77 3grg n SER 50 Cb 0.48 -0.24 0.80 0.00 -0.26 0.00 0.00 64.21 65.00 3grg n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3grg h GLU 51 N 0.00 0.00 -0.62 4.33 5.08 -1.93 -1.56 114.58 119.87 3grg h GLU 51 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3grg h GLU 51 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3grg h GLU 51 CO 0.08 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.96 3grg n SER 52 N -2.91 3.81 0.00 1.42 3.41 -1.26 -4.78 113.62 113.31 3grg n SER 52 Ca -0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 3grg n SER 52 Cb 0.21 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3grg n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3grg n GLY 53 N 1.61 0.58 3.59 5.00 0.00 -0.59 -4.82 105.19 110.56 3grg n GLY 53 Ca 0.23 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3grg n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3grg s GLU 54 N -0.46 2.34 -0.27 1.61 2.02 -1.26 -0.76 118.70 121.91 3grg s GLU 54 Ca 0.00 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.12 3grg s GLU 54 Cb 0.00 -2.40 0.08 0.00 0.10 0.00 0.00 34.13 31.91 3grg s GLU 54 CO 0.00 0.55 -0.01 -1.17 0.02 0.00 0.00 175.26 174.65 3grg s LEU 55 N -1.86 3.07 0.36 1.80 0.20 -0.16 -0.12 118.68 121.96 3grg s LEU 55 Ca 0.20 -1.50 0.08 0.00 0.69 0.00 0.00 54.13 53.59 3grg s LEU 55 Cb -0.11 -1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 44.37 3grg s LEU 55 CO 0.11 -0.30 0.28 -1.00 -0.29 0.00 0.00 176.35 175.16 3grg s HIS 56 N 1.30 2.81 -0.77 5.38 3.76 -1.26 -2.78 115.29 123.74 3grg s HIS 56 Ca 0.01 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 3grg s HIS 56 Cb -0.19 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.64 3grg s HIS 56 CO -0.10 0.13 0.00 0.41 -0.85 0.00 0.00 174.74 174.34 3grg n GLY 57 N -1.37 0.29 0.20 -2.22 0.00 -1.26 -4.94 105.19 95.88 3grg n GLY 57 Ca -0.01 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 3grg n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3grg h LEU 58 N 0.00 0.66 -8.65 0.99 3.38 -1.84 -3.48 115.31 106.37 3grg h LEU 58 Ca -0.19 -0.46 -0.32 0.00 0.09 0.00 0.00 57.88 56.99 3grg h LEU 58 Cb 0.99 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 3grg h LEU 58 CO 0.24 0.98 -0.37 0.28 0.09 0.00 0.00 178.44 179.66 3grg s THR 59 N -4.40 0.00 0.17 0.22 -1.32 -1.26 -4.80 115.64 104.25 3grg s THR 59 Ca -0.13 -1.80 0.07 0.00 -1.21 0.00 0.00 61.69 58.61 3grg s THR 59 Cb 0.08 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 3grg s THR 59 CO 0.81 0.00 0.05 0.42 -2.21 0.00 0.00 174.62 173.69 3grg s THR 60 N -3.47 4.00 0.23 5.08 -4.23 -1.26 -4.61 115.64 111.38 3grg s THR 60 Ca 0.35 -1.31 -0.10 0.00 -1.18 0.00 0.00 61.69 59.45 3grg s THR 60 Cb 0.02 -3.03 0.34 0.00 1.34 0.00 0.00 72.50 71.18 3grg s THR 60 CO 0.21 -0.12 1.38 -1.84 -0.54 0.00 0.00 174.62 173.71 3grg n GLU 61 N -0.23 -0.12 -0.10 3.99 0.00 -1.26 -0.67 120.64 122.25 3grg n GLU 61 Ca -0.09 1.38 -0.11 0.00 0.00 0.00 0.00 57.16 58.34 3grg n GLU 61 Cb 0.55 -2.05 -0.03 0.00 0.00 0.00 0.00 31.44 29.91 3grg n GLU 61 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3grg h GLU 62 N 0.00 0.49 0.00 3.44 4.81 -2.03 -3.03 114.58 118.25 3grg h GLU 62 Ca 0.39 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3grg h GLU 62 Cb 0.61 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3grg h GLU 62 CO -0.90 0.59 -0.46 0.93 -0.73 0.00 0.00 179.01 178.44 3grg h GLU 63 N 0.31 0.00 -3.71 1.92 5.08 -1.72 -3.36 114.58 113.10 3grg h GLU 63 Ca 0.09 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.73 3grg h GLU 63 Cb 0.34 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 3grg h GLU 63 CO 0.01 0.46 2.88 0.34 -1.00 0.00 0.00 179.01 181.69 3grg n PHE 64 N -3.87 3.23 -1.65 4.33 7.35 0.16 -4.94 117.46 122.07 3grg n PHE 64 Ca -0.01 -2.93 -0.29 0.00 -0.76 0.00 0.00 57.45 53.45 3grg n PHE 64 Cb 0.50 -2.36 0.15 0.00 0.35 0.00 0.00 39.48 38.12 3grg n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3grg s VAL 65 N 2.16 1.96 0.42 -2.13 -7.23 -1.26 -4.97 120.40 109.35 3grg s VAL 65 Ca 0.47 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 60.39 3grg s VAL 65 Cb 0.13 -2.83 -0.10 0.00 0.56 0.00 0.00 36.38 34.15 3grg s VAL 65 CO -0.06 0.00 1.20 -1.84 -0.31 0.00 0.00 175.10 174.08 3grg n GLU 66 N -3.77 1.75 -3.83 4.82 0.00 -1.26 -4.94 120.64 113.41 3grg n GLU 66 Ca 0.09 0.62 0.00 0.00 0.00 0.00 0.00 57.16 57.88 3grg n GLU 66 Cb 0.60 -2.28 0.00 0.00 0.00 0.00 0.00 31.44 29.76 3grg n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3grg n GLY 67 N 0.92 -2.30 3.64 -1.84 0.00 -1.22 -5.02 105.19 99.37 3grg n GLY 67 Ca 0.08 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 3grg n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grg s ILE 68 N -2.29 4.80 0.02 -0.61 1.01 -1.26 -0.89 121.20 121.97 3grg s ILE 68 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.71 3grg s ILE 68 Cb 0.00 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 3grg s ILE 68 CO 0.00 0.46 -0.26 -0.31 0.00 0.00 0.00 174.94 174.83 3grg s TYR 69 N 0.35 2.33 -0.10 3.97 1.51 0.01 0.57 117.35 126.00 3grg s TYR 69 Ca 0.03 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 3grg s TYR 69 Cb -0.12 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 3grg s TYR 69 CO 0.00 0.07 -0.23 0.21 -1.11 0.00 0.00 175.55 174.49 3grg s LYS 70 N -1.02 2.98 -0.25 -0.62 2.20 -0.30 -0.82 119.74 121.90 3grg s LYS 70 Ca 0.11 -0.85 -0.09 0.00 -0.36 0.00 0.00 55.97 54.78 3grg s LYS 70 Cb -0.10 -2.27 -0.04 0.00 -1.51 0.00 0.00 37.83 33.91 3grg s LYS 70 CO 0.01 0.15 0.11 0.08 -0.36 0.00 0.00 175.35 175.34 3grg s VAL 71 N 0.41 4.71 -0.24 4.02 1.01 0.20 -0.88 120.40 129.63 3grg s VAL 71 Ca -0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 3grg s VAL 71 Cb -0.18 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3grg s VAL 71 CO 0.07 0.32 -0.02 -1.61 0.00 0.00 0.00 175.10 173.87 3grg s GLU 72 N 1.51 3.22 -0.24 2.72 2.02 0.12 -0.56 118.70 127.49 3grg s GLU 72 Ca 0.06 -0.74 -0.07 0.00 0.02 0.00 0.00 54.97 54.25 3grg s GLU 72 Cb -0.15 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 3grg s GLU 72 CO 0.06 -0.29 0.05 0.42 0.02 0.00 0.00 175.26 175.52 3grg s ILE 73 N 1.46 4.20 -0.10 -1.63 1.01 0.11 -0.69 121.20 125.56 3grg s ILE 73 Ca 0.04 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 3grg s ILE 73 Cb -0.15 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 3grg s ILE 73 CO -0.02 0.36 0.97 -0.62 0.00 0.00 0.00 174.94 175.63 3grg s ASP 74 N 1.46 7.21 0.00 3.58 2.15 -0.31 -0.36 116.67 130.39 3grg s ASP 74 Ca 0.05 1.48 0.00 0.00 0.43 0.00 0.00 52.55 54.51 3grg s ASP 74 Cb -0.15 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 3grg s ASP 74 CO 0.03 -0.41 0.43 0.35 -0.17 0.00 0.00 175.17 175.40 3grg n THR 75 N 4.49 0.00 -0.25 1.71 -2.24 -0.32 -4.54 114.28 113.13 3grg n THR 75 Ca 0.08 -0.46 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 3grg n THR 75 Cb 0.49 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.75 3grg n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3grg h LYS 76 N 0.00 -0.18 -0.14 -0.78 1.63 -1.70 -2.24 116.57 113.17 3grg h LYS 76 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3grg h LYS 76 Cb 0.03 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 3grg h LYS 76 CO 0.00 -0.12 0.00 -1.13 -3.45 0.00 0.00 179.45 174.75 3grg n SER 77 N -5.39 2.37 -0.25 4.20 3.41 -1.26 -4.58 113.62 112.12 3grg n SER 77 Ca 0.02 -2.01 0.06 0.00 -0.26 0.00 0.00 58.87 56.69 3grg n SER 77 Cb 0.34 -0.09 0.31 0.00 -0.26 0.00 0.00 64.21 64.51 3grg n SER 77 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3grg h TYR 78 N 0.81 0.89 -0.48 7.33 3.20 -1.72 -1.67 116.97 125.33 3grg h TYR 78 Ca 0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3grg h TYR 78 Cb 0.60 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 3grg h TYR 78 CO 0.09 0.45 0.05 0.91 -1.64 0.00 0.00 178.16 178.02 3grg n TRP 79 N -4.50 1.68 -0.32 -3.82 8.01 -1.26 -4.54 117.44 112.69 3grg n TRP 79 Ca 0.13 -0.92 0.18 0.00 -1.31 0.00 0.00 57.50 55.57 3grg n TRP 79 Cb 0.25 -0.47 0.38 0.00 -2.01 0.00 0.00 31.31 29.45 3grg n TRP 79 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 3grg h LYS 80 N 2.76 0.30 0.00 -0.99 3.64 -1.49 0.36 116.57 121.15 3grg h LYS 80 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3grg h LYS 80 Cb 1.84 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 3grg h LYS 80 CO 0.44 0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 3grg h ALA 81 N 1.80 1.00 0.00 5.00 0.00 -1.80 -1.10 119.26 124.16 3grg h ALA 81 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 3grg h ALA 81 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3grg h ALA 81 CO -0.61 0.00 -0.77 1.28 0.00 0.00 0.00 179.25 179.16 3grg n LEU 82 N -2.54 0.63 0.00 0.00 4.77 0.12 -4.91 117.00 115.07 3grg n LEU 82 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3grg n LEU 82 Cb 0.17 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3grg n LEU 82 CO 0.19 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3grg n GLY 83 N 1.39 0.74 3.24 -0.72 0.00 -0.42 -5.04 105.19 104.38 3grg n GLY 83 Ca 0.03 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3grg n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grg s ILE 84 N -2.00 2.06 -0.21 -0.61 1.01 -1.22 -5.06 121.20 115.16 3grg s ILE 84 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 60.65 59.39 3grg s ILE 84 Cb 0.00 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 3grg s ILE 84 CO 0.00 0.56 0.69 -0.55 0.00 0.00 0.00 174.94 175.65 3grg s SER 85 N 0.15 6.73 0.97 3.58 0.15 -1.26 -4.33 113.70 119.69 3grg s SER 85 Ca -0.13 0.89 -0.16 0.00 0.70 0.00 0.00 55.95 57.25 3grg s SER 85 Cb -0.16 -2.38 0.21 0.00 -1.71 0.00 0.00 66.02 61.98 3grg s SER 85 CO 0.07 -0.36 1.33 -2.16 1.20 0.00 0.00 173.24 173.32 3grg s PRO 86 N 2.25 0.54 0.49 5.44 0.04 -1.26 -4.95 135.00 137.55 3grg s PRO 86 Ca 0.31 -0.49 0.24 0.00 0.04 0.00 0.00 61.00 61.09 3grg s PRO 86 Cb -0.16 -1.85 1.26 0.00 0.04 0.00 0.00 34.50 33.79 3grg s PRO 86 CO 0.10 -2.47 2.01 0.00 0.04 0.00 0.00 177.00 176.68 3grg h MET 87 N -1.66 0.00 -2.59 4.56 -0.00 -1.34 -3.45 114.93 110.45 3grg h MET 87 Ca -0.44 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.30 3grg h MET 87 Cb 1.23 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.68 3grg h MET 87 CO 0.35 0.17 0.35 -1.58 -0.00 0.00 0.00 176.91 176.19 3grg s HIS 88 N -4.21 -0.45 -0.74 -0.10 5.65 -1.26 -5.05 115.29 109.13 3grg s HIS 88 Ca -0.03 0.32 0.24 0.00 0.25 0.00 0.00 55.06 55.85 3grg s HIS 88 Cb 0.13 0.54 0.91 0.00 -1.18 0.00 0.00 32.58 32.99 3grg s HIS 88 CO 0.62 -0.69 1.74 -0.85 -0.65 0.00 0.00 174.74 174.91 3grg n GLU 89 N -0.23 0.16 -4.23 2.88 0.00 -1.26 -4.60 120.64 113.37 3grg n GLU 89 Ca -0.13 0.24 -0.15 0.00 0.00 0.00 0.00 57.16 57.12 3grg n GLU 89 Cb 0.63 -1.73 -0.11 0.00 0.00 0.00 0.00 31.44 30.24 3grg n GLU 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3grg s HIS 90 N -3.13 1.26 -0.21 -1.84 3.76 -1.26 -1.18 115.29 112.69 3grg s HIS 90 Ca 0.09 -0.67 -0.08 0.00 -0.15 0.00 0.00 55.06 54.25 3grg s HIS 90 Cb 0.12 -0.65 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 3grg s HIS 90 CO 0.48 0.09 0.09 0.00 -0.85 0.00 0.00 174.74 174.54 3grg s ALA 91 N -2.73 3.44 0.00 -1.40 0.00 0.51 -4.85 121.76 116.73 3grg s ALA 91 Ca 0.11 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.33 3grg s ALA 91 Cb -0.01 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 3grg s ALA 91 CO 0.01 0.00 -0.25 -1.21 0.00 0.00 0.00 175.76 174.32 3grg s GLU 92 N 0.70 2.04 -0.02 0.00 8.01 -1.26 -0.71 118.70 127.46 3grg s GLU 92 Ca 0.05 -0.97 0.01 0.00 0.01 0.00 0.00 54.97 54.06 3grg s GLU 92 Cb -0.13 -2.06 0.02 0.00 -4.31 0.00 0.00 34.13 27.65 3grg s GLU 92 CO 0.02 0.55 -0.01 0.08 0.01 0.00 0.00 175.26 175.90 3grg s VAL 93 N -0.70 0.21 -0.11 2.63 1.01 0.28 -4.98 120.40 118.74 3grg s VAL 93 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3grg s VAL 93 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 3grg s VAL 93 CO 0.00 0.12 -0.11 -0.69 0.00 0.00 0.00 175.10 174.43 3grg s VAL 94 N 0.67 3.30 0.05 2.92 1.01 -1.26 0.58 120.40 127.66 3grg s VAL 94 Ca -0.07 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3grg s VAL 94 Cb -0.10 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3grg s VAL 94 CO -0.01 0.54 -0.08 0.72 0.00 0.00 0.00 175.10 176.27 3grg s PHE 95 N -0.00 0.71 -0.21 5.22 -0.71 -0.00 -5.00 117.98 117.98 3grg s PHE 95 Ca -0.02 -0.52 -0.14 0.00 -1.04 0.00 0.00 56.93 55.20 3grg s PHE 95 Cb -0.14 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 3grg s PHE 95 CO 0.04 -0.08 0.33 0.99 -1.34 0.00 0.00 175.22 175.15 3grg s THR 96 N -1.51 5.25 -0.11 -4.49 2.01 -1.26 -0.81 115.64 114.72 3grg s THR 96 Ca -0.08 0.55 -0.04 0.00 0.31 0.00 0.00 61.69 62.43 3grg s THR 96 Cb -0.09 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 3grg s THR 96 CO 0.00 0.28 0.06 0.00 -0.69 0.00 0.00 174.62 174.27 3grg s ALA 97 N 1.22 3.51 -1.19 7.40 0.00 -0.07 -4.89 121.76 127.75 3grg s ALA 97 Ca 0.16 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 3grg s ALA 97 Cb -0.14 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 3grg s ALA 97 CO 0.07 0.55 0.90 0.09 0.00 0.00 0.00 175.76 177.37 3grg n ASN 98 N 2.27 -3.07 -1.51 0.00 5.03 -1.26 -3.41 115.26 113.31 3grg n ASN 98 Ca -0.19 -0.71 -0.01 0.00 0.87 0.00 0.00 54.58 54.54 3grg n ASN 98 Cb 0.54 -4.81 0.22 0.00 -1.02 0.00 0.00 39.78 34.71 3grg n ASN 98 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3grg n ASP 99 N -3.11 3.90 -1.07 6.41 10.43 -1.26 -4.45 116.55 127.41 3grg n ASP 99 Ca -0.23 -2.72 -0.02 0.00 2.57 0.00 0.00 54.79 54.39 3grg n ASP 99 Cb 0.66 -0.65 -0.03 0.00 1.84 0.00 0.00 41.12 42.94 3grg n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3grg n SER 100 N 0.14 -0.13 0.00 -2.24 7.64 -1.26 -5.14 113.62 112.63 3grg n SER 100 Ca 0.24 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.23 3grg n SER 100 Cb 0.97 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 3grg n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3grg n GLY 101 N 0.17 0.08 3.85 0.23 0.00 -1.26 -5.03 105.19 103.23 3grg n GLY 101 Ca -0.11 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.38 3grg n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3grg s PRO 102 N 0.00 3.92 0.01 1.61 0.04 -1.26 -4.86 135.00 134.46 3grg s PRO 102 Ca 0.00 0.40 0.02 0.00 0.04 0.00 0.00 61.00 61.45 3grg s PRO 102 Cb 0.00 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 3grg s PRO 102 CO 0.00 0.55 -0.05 1.03 0.04 0.00 0.00 177.00 178.57 3grg s ARG 103 N -1.73 0.41 0.14 4.56 1.81 -1.26 -4.69 118.95 118.18 3grg s ARG 103 Ca 0.33 -0.33 -0.10 0.00 -1.72 0.00 0.00 55.73 53.91 3grg s ARG 103 Cb -0.15 -0.32 -0.06 0.00 -0.45 0.00 0.00 34.95 33.96 3grg s ARG 103 CO 0.18 0.08 0.47 -0.98 -0.68 0.00 0.00 175.30 174.37 3grg s ARG 104 N -0.54 3.81 -0.07 3.54 1.70 -0.45 -4.91 118.95 122.02 3grg s ARG 104 Ca -0.02 0.24 0.04 0.00 -0.47 0.00 0.00 55.73 55.52 3grg s ARG 104 Cb -0.04 -2.89 0.00 0.00 -0.57 0.00 0.00 34.95 31.45 3grg s ARG 104 CO -0.00 0.48 -0.19 0.71 -1.08 0.00 0.00 175.30 175.22 3grg s TYR 105 N -1.54 2.00 -0.20 5.89 1.51 0.46 -1.34 117.35 124.13 3grg s TYR 105 Ca 0.38 -0.72 -0.02 0.00 -1.01 0.00 0.00 57.07 55.71 3grg s TYR 105 Cb -0.13 -1.36 0.00 0.00 -0.11 0.00 0.00 41.96 40.36 3grg s TYR 105 CO 0.20 -0.29 -0.12 0.99 -1.11 0.00 0.00 175.55 175.22 3grg s THR 106 N 0.30 2.75 -0.35 -0.71 2.01 -0.37 -1.12 115.64 118.15 3grg s THR 106 Ca -0.12 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.03 3grg s THR 106 Cb -0.15 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 3grg s THR 106 CO 0.05 0.48 0.33 -0.63 -0.69 0.00 0.00 174.62 174.16 3grg s ILE 107 N 1.38 5.20 -0.12 1.82 -1.09 -0.19 -0.52 121.20 127.69 3grg s ILE 107 Ca 0.05 -0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.34 3grg s ILE 107 Cb -0.14 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 3grg s ILE 107 CO -0.08 -0.11 -0.06 0.00 -1.23 0.00 0.00 174.94 173.46 3grg s ALA 108 N 1.92 2.95 -0.08 9.38 0.00 -0.22 -0.85 121.76 134.86 3grg s ALA 108 Ca 0.10 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 3grg s ALA 108 Cb -0.17 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.57 3grg s ALA 108 CO 0.11 0.34 -0.06 0.00 0.00 0.00 0.00 175.76 176.15 3grg s ALA 109 N -0.02 1.04 -0.28 0.00 0.00 0.10 -1.30 121.76 121.30 3grg s ALA 109 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 3grg s ALA 109 Cb -0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 3grg s ALA 109 CO 0.03 -0.29 0.09 -1.64 0.00 0.00 0.00 175.76 173.95 3grg s MET 110 N 1.51 3.34 -0.10 0.00 -1.94 0.18 -0.69 119.30 121.59 3grg s MET 110 Ca -0.00 -0.70 -0.00 0.00 -1.71 0.00 0.00 55.69 53.28 3grg s MET 110 Cb -0.13 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.29 3grg s MET 110 CO -0.04 -0.35 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.02 3grg s LEU 111 N 1.56 3.03 0.22 -0.03 1.43 -0.44 -1.56 118.68 122.90 3grg s LEU 111 Ca 0.04 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3grg s LEU 111 Cb -0.16 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3grg s LEU 111 CO 0.04 0.26 -0.06 -0.44 0.23 0.00 0.00 176.35 176.38 3grg s SER 112 N -0.20 2.20 0.37 2.29 0.01 -0.33 -1.16 113.70 116.87 3grg s SER 112 Ca 0.02 -1.14 0.13 0.00 1.31 0.00 0.00 55.95 56.27 3grg s SER 112 Cb -0.13 -0.07 0.93 0.00 0.21 0.00 0.00 66.02 66.97 3grg s SER 112 CO 0.03 -0.38 1.82 -0.65 0.41 0.00 0.00 173.24 174.47 3grg h PRO 113 N 2.49 0.55 -0.03 12.44 0.11 -1.98 -3.10 132.00 142.48 3grg h PRO 113 Ca -0.38 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3grg h PRO 113 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3grg h PRO 113 CO 0.65 0.36 -0.04 0.66 -0.21 0.00 0.00 178.00 179.42 3grg n TYR 114 N -4.61 0.11 -3.54 0.65 4.02 -1.26 -0.82 117.16 111.71 3grg n TYR 114 Ca 0.21 -1.03 -0.14 0.00 -0.01 0.00 0.00 57.90 56.93 3grg n TYR 114 Cb 0.65 -0.18 -0.05 0.00 -0.02 0.00 0.00 39.34 39.73 3grg n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3grg s SER 115 N -2.80 -0.51 0.04 7.72 0.15 -1.17 -5.00 113.70 112.12 3grg s SER 115 Ca 0.34 0.51 -0.23 0.00 0.70 0.00 0.00 55.95 57.26 3grg s SER 115 Cb 0.30 0.43 0.05 0.00 -1.71 0.00 0.00 66.02 65.09 3grg s SER 115 CO 0.03 -0.51 0.53 -0.72 1.20 0.00 0.00 173.24 173.77 3grg s TYR 116 N -1.38 -0.45 -0.05 3.44 1.13 -1.26 -1.19 117.35 117.60 3grg s TYR 116 Ca -0.06 0.53 0.06 0.00 -1.41 0.00 0.00 57.07 56.20 3grg s TYR 116 Cb -0.00 0.35 -0.01 0.00 -1.10 0.00 0.00 41.96 41.20 3grg s TYR 116 CO 0.04 -0.64 -0.25 -1.12 -2.51 0.00 0.00 175.55 171.07 3grg s SER 117 N -1.90 3.06 0.01 -0.18 0.01 -0.60 -4.98 113.70 109.10 3grg s SER 117 Ca -0.06 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.70 3grg s SER 117 Cb -0.01 -0.74 -0.01 0.00 0.21 0.00 0.00 66.02 65.48 3grg s SER 117 CO -0.01 0.26 -0.02 0.28 0.41 0.00 0.00 173.24 174.16 3grg s THR 118 N -0.25 0.13 -0.02 1.44 -1.32 -1.26 -0.65 115.64 113.71 3grg s THR 118 Ca -0.01 -0.42 0.02 0.00 -1.21 0.00 0.00 61.69 60.07 3grg s THR 118 Cb -0.13 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.68 3grg s THR 118 CO 0.03 -0.19 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.30 3grg s THR 119 N -0.62 0.50 -0.31 5.08 2.01 -0.42 -4.99 115.64 116.90 3grg s THR 119 Ca -0.06 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.60 3grg s THR 119 Cb -0.04 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 3grg s THR 119 CO -0.00 0.17 0.24 0.00 -0.69 0.00 0.00 174.62 174.33 3grg s ALA 120 N 0.18 3.52 -0.27 7.40 0.00 -1.26 -1.05 121.76 130.28 3grg s ALA 120 Ca -0.02 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 3grg s ALA 120 Cb -0.06 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 3grg s ALA 120 CO -0.00 -0.76 0.16 0.08 0.00 0.00 0.00 175.76 175.24 3grg s VAL 121 N 1.80 5.08 -0.20 0.00 1.01 0.33 -4.96 120.40 123.45 3grg s VAL 121 Ca 0.08 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3grg s VAL 121 Cb -0.17 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.84 3grg s VAL 121 CO 0.11 0.28 -0.16 -0.69 0.00 0.00 0.00 175.10 174.63 3grg s VAL 122 N 1.66 2.02 0.16 2.92 1.01 -1.26 -1.23 120.40 125.68 3grg s VAL 122 Ca 0.07 -1.10 0.09 0.00 0.00 0.00 0.00 61.98 61.03 3grg s VAL 122 Cb -0.16 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3grg s VAL 122 CO 0.09 0.36 -0.19 0.42 0.00 0.00 0.00 175.10 175.77 3grg s THR 123 N 1.27 1.86 0.00 3.92 -4.23 -0.45 -4.99 115.64 113.02 3grg s THR 123 Ca 0.01 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3grg s THR 123 Cb -0.15 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.85 3grg s THR 123 CO -0.10 -0.27 0.09 -3.20 -0.54 0.00 0.00 174.62 170.60