#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 0.00 -2.88 0.00 0.11 -1.90 -3.42 132.00 123.91 3grg h PRO 11 Ca 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 3grg h PRO 11 Cb 0.00 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 30.80 3grg h PRO 11 CO 0.00 0.08 -0.48 -1.17 -0.21 0.00 0.00 178.00 176.21 3grg s LEU 12 N -7.01 -0.05 0.06 2.35 2.96 -1.25 -0.50 118.68 115.25 3grg s LEU 12 Ca -0.03 0.62 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 3grg s LEU 12 Cb 0.13 0.81 -0.03 0.00 0.50 0.00 0.00 46.19 47.60 3grg s LEU 12 CO 0.55 -0.21 -0.09 -0.32 -1.32 0.00 0.00 176.35 174.96 3grg s MET 13 N 1.93 0.67 -0.05 1.98 -2.45 -0.26 -4.36 119.30 116.76 3grg s MET 13 Ca -0.04 -0.92 0.01 0.00 -1.25 0.00 0.00 55.69 53.49 3grg s MET 13 Cb -0.11 -0.43 0.02 0.00 1.25 0.00 0.00 34.83 35.56 3grg s MET 13 CO -0.09 0.08 -0.04 0.08 1.05 0.00 0.00 175.02 176.10 3grg s VAL 14 N -1.74 0.51 -0.08 10.11 1.01 -1.17 -1.13 120.40 127.90 3grg s VAL 14 Ca -0.04 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3grg s VAL 14 Cb -0.07 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.76 3grg s VAL 14 CO 0.00 0.23 -0.15 -0.75 0.00 0.00 0.00 175.10 174.43 3grg s LYS 15 N 1.08 2.10 -0.08 2.72 2.20 0.11 -0.76 119.74 127.11 3grg s LYS 15 Ca -0.09 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.00 3grg s LYS 15 Cb -0.14 -1.69 0.01 0.00 -1.51 0.00 0.00 37.83 34.50 3grg s LYS 15 CO -0.01 0.05 -0.14 0.08 -0.36 0.00 0.00 175.35 174.97 3grg s VAL 16 N 0.64 1.34 -0.02 4.02 1.01 0.22 -0.38 120.40 127.22 3grg s VAL 16 Ca -0.14 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3grg s VAL 16 Cb -0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3grg s VAL 16 CO 0.04 0.40 -0.12 -0.76 0.00 0.00 0.00 175.10 174.67 3grg s LEU 17 N 0.79 2.89 -0.56 3.92 1.43 0.28 -1.61 118.68 125.82 3grg s LEU 17 Ca -0.11 -0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 3grg s LEU 17 Cb -0.16 -1.64 0.06 0.00 0.03 0.00 0.00 46.19 44.48 3grg s LEU 17 CO 0.02 0.31 0.81 -0.62 0.23 0.00 0.00 176.35 177.11 3grg s ASP 18 N -1.09 6.25 0.26 2.29 -1.08 0.12 -1.59 116.67 121.82 3grg s ASP 18 Ca 0.14 -0.80 0.25 0.00 -0.52 0.00 0.00 52.55 51.63 3grg s ASP 18 Cb -0.11 -2.37 0.91 0.00 -1.46 0.00 0.00 42.92 39.89 3grg s ASP 18 CO 0.04 -1.15 1.75 0.00 0.52 0.00 0.00 175.17 176.33 3grg h ALA 19 N 9.25 1.00 0.06 3.66 0.00 -1.32 -0.64 119.26 131.27 3grg h ALA 19 Ca -0.28 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3grg h ALA 19 Cb 1.08 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.88 3grg h ALA 19 CO 1.07 0.00 -0.36 0.28 0.00 0.00 0.00 179.25 180.24 3grg h VAL 20 N 0.00 1.67 -0.01 0.00 2.07 -1.92 -3.37 116.25 114.69 3grg h VAL 20 Ca 0.00 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.09 3grg h VAL 20 Cb 0.55 3.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 3grg h VAL 20 CO 0.00 0.65 -0.56 0.54 0.02 0.00 0.00 177.57 178.22 3grg n ARG 21 N -4.40 0.66 -3.12 1.57 1.74 -1.22 -5.00 116.66 106.88 3grg n ARG 21 Ca -0.12 -0.50 -0.14 0.00 -0.77 0.00 0.00 57.85 56.32 3grg n ARG 21 Cb 0.63 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.65 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 1.43 -0.59 3.29 -0.13 0.00 -0.27 -5.05 105.19 103.87 3grg n GLY 22 Ca 0.08 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.74 -0.23 0.56 1.61 1.04 -1.03 -5.02 113.70 106.90 3grg s SER 23 Ca 0.21 -0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.41 3grg s SER 23 Cb -0.03 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 3grg s SER 23 CO 0.64 -0.61 1.14 -2.65 0.98 0.00 0.00 173.24 172.74 3grg n PRO 24 N 0.67 1.27 -3.05 4.02 -0.02 -1.26 0.14 135.00 136.76 3grg n PRO 24 Ca -0.19 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 3grg n PRO 24 Cb 0.59 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3grg n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3grg s ALA 25 N -1.39 3.42 -0.10 3.55 0.00 -0.63 -4.54 121.76 122.08 3grg s ALA 25 Ca 0.73 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 3grg s ALA 25 Cb -0.43 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3grg s ALA 25 CO 0.49 -1.49 0.02 0.42 0.00 0.00 0.00 175.76 175.19 3grg s ILE 26 N 2.89 4.44 -1.50 0.00 1.01 -1.26 -4.25 121.20 122.54 3grg s ILE 26 Ca 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 3grg s ILE 26 Cb -0.14 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.45 3grg s ILE 26 CO 0.17 0.60 0.56 0.59 0.00 0.00 0.00 174.94 176.85 3grg n ASN 27 N 2.24 -5.93 -4.75 3.58 3.02 -0.02 -4.91 115.26 108.47 3grg n ASN 27 Ca -0.19 -0.26 -0.35 0.00 -0.03 0.00 0.00 54.58 53.75 3grg n ASN 27 Cb 0.54 -4.76 -0.08 0.00 -0.61 0.00 0.00 39.78 34.87 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 -3.15 5.41 0.29 2.41 1.01 -1.26 -4.72 120.40 120.40 3grg s VAL 28 Ca 0.28 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 3grg s VAL 28 Cb -0.12 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 3grg s VAL 28 CO 0.34 0.46 1.19 0.00 0.00 0.00 0.00 175.10 177.09 3grg s ALA 29 N 0.15 3.45 -0.06 5.51 0.00 -1.26 -1.09 121.76 128.46 3grg s ALA 29 Ca 0.10 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.12 3grg s ALA 29 Cb -0.11 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3grg s ALA 29 CO -0.00 -0.36 -0.07 0.08 0.00 0.00 0.00 175.76 175.41 3grg s VAL 30 N -1.09 0.74 -0.08 0.00 1.01 0.15 -0.36 120.40 120.77 3grg s VAL 30 Ca 0.47 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.24 3grg s VAL 30 Cb -0.35 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3grg s VAL 30 CO 0.45 0.28 -0.11 -1.00 0.00 0.00 0.00 175.10 174.72 3grg s HIS 31 N 0.97 2.82 -0.06 5.22 3.76 -0.19 -1.75 115.29 126.07 3grg s HIS 31 Ca -0.10 -0.20 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 3grg s HIS 31 Cb -0.14 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.81 3grg s HIS 31 CO 0.00 0.14 -0.20 0.08 -0.85 0.00 0.00 174.74 173.91 3grg s VAL 32 N -0.48 2.53 0.17 -0.90 1.01 0.98 -0.52 120.40 123.20 3grg s VAL 32 Ca 0.06 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.22 3grg s VAL 32 Cb -0.12 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3grg s VAL 32 CO 0.02 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.16 3grg s PHE 33 N -0.40 1.76 -0.04 5.22 0.40 0.15 -0.55 117.98 124.53 3grg s PHE 33 Ca 0.04 -0.50 0.04 0.00 -0.60 0.00 0.00 56.93 55.91 3grg s PHE 33 Cb -0.12 -0.87 -0.00 0.00 0.51 0.00 0.00 43.02 42.54 3grg s PHE 33 CO 0.02 0.33 -0.14 0.50 0.70 0.00 0.00 175.22 176.62 3grg s ARG 34 N -2.99 1.51 -0.02 0.44 3.52 -0.30 -0.99 118.95 120.12 3grg s ARG 34 Ca 0.17 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 54.96 3grg s ARG 34 Cb -0.04 -1.34 -0.05 0.00 -1.56 0.00 0.00 34.95 31.96 3grg s ARG 34 CO 0.06 0.19 1.38 0.21 -0.81 0.00 0.00 175.30 176.34 3grg s LYS 35 N 0.11 4.28 0.59 5.12 2.36 0.84 -1.27 119.74 131.77 3grg s LYS 35 Ca -0.04 1.93 -0.04 0.00 -2.55 0.00 0.00 55.97 55.27 3grg s LYS 35 Cb -0.11 -3.61 0.02 0.00 -1.05 0.00 0.00 37.83 33.09 3grg s LYS 35 CO 0.02 -0.58 0.87 0.00 1.55 0.00 0.00 175.35 177.20 3grg s ALA 36 N 2.54 3.43 0.33 3.13 0.00 0.18 -4.73 121.76 126.65 3grg s ALA 36 Ca 0.63 -0.91 0.11 0.00 0.00 0.00 0.00 51.96 51.79 3grg s ALA 36 Cb -0.30 -2.45 0.99 0.00 0.00 0.00 0.00 23.12 21.36 3grg s ALA 36 CO 0.25 -0.84 1.64 0.00 0.00 0.00 0.00 175.76 176.81 3grg h ALA 37 N -0.14 1.73 -0.46 0.00 0.00 -1.94 0.23 119.26 118.68 3grg h ALA 37 Ca -0.45 0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3grg h ALA 37 Cb 1.28 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 3grg h ALA 37 CO 0.59 -0.59 0.11 -0.40 0.00 0.00 0.00 179.25 178.96 3grg n ASP 38 N -5.16 4.04 -1.50 0.00 5.75 -1.26 -4.89 116.55 113.53 3grg n ASP 38 Ca 0.29 -2.75 -0.12 0.00 -0.01 0.00 0.00 54.79 52.20 3grg n ASP 38 Cb 0.92 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 0.16 -3.94 -4.59 -1.12 2.03 0.81 -5.01 116.55 104.89 3grg n ASP 39 Ca 0.24 -0.06 -0.24 0.00 0.52 0.00 0.00 54.79 55.25 3grg n ASP 39 Cb 1.00 -3.06 -0.08 0.00 -0.72 0.00 0.00 41.12 38.26 3grg n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3grg s THR 40 N -2.69 3.21 -0.39 5.18 -4.23 -1.26 -4.89 115.64 110.58 3grg s THR 40 Ca 0.05 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 58.40 3grg s THR 40 Cb -0.02 -2.67 0.02 0.00 1.34 0.00 0.00 72.50 71.17 3grg s THR 40 CO 0.06 -0.29 0.92 0.26 -0.54 0.00 0.00 174.62 175.04 3grg s TRP 41 N -2.14 3.05 -0.19 3.99 0.52 -1.26 0.52 118.94 123.43 3grg s TRP 41 Ca 0.29 0.69 -0.10 0.00 0.02 0.00 0.00 56.10 57.00 3grg s TRP 41 Cb -0.07 -3.70 -0.05 0.00 -1.15 0.00 0.00 33.47 28.50 3grg s TRP 41 CO 0.17 -0.88 0.14 -1.83 0.02 0.00 0.00 176.95 174.58 3grg s GLU 42 N 3.52 4.16 0.31 4.98 -1.05 -0.40 -4.88 118.70 125.34 3grg s GLU 42 Ca 0.38 -0.19 -0.28 0.00 -0.15 0.00 0.00 54.97 54.73 3grg s GLU 42 Cb -0.12 -3.41 -0.13 0.00 -0.44 0.00 0.00 34.13 30.03 3grg s GLU 42 CO 0.20 0.32 1.05 -0.35 0.95 0.00 0.00 175.26 177.44 3grg n PRO 43 N 3.44 1.48 0.00 -4.83 -0.04 -1.26 -1.15 135.00 132.64 3grg n PRO 43 Ca -0.16 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3grg n PRO 43 Cb 0.52 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 3grg n PRO 43 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3grg n PHE 44 N 0.15 0.00 -3.51 0.54 7.35 0.29 -4.77 117.46 117.51 3grg n PHE 44 Ca 0.09 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.69 3grg n PHE 44 Cb 0.34 0.12 -0.02 0.00 0.35 0.00 0.00 39.48 40.26 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 -1.92 -1.84 0.31 3.13 0.00 -1.07 -5.01 121.76 115.37 3grg s ALA 45 Ca 0.00 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 3grg s ALA 45 Cb 0.00 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.46 3grg s ALA 45 CO 0.00 -0.66 0.61 -1.54 0.00 0.00 0.00 175.76 174.18 3grg s SER 46 N -2.37 0.09 0.00 0.00 1.04 -1.26 -0.01 113.70 111.18 3grg s SER 46 Ca 0.05 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.46 3grg s SER 46 Cb -0.01 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3grg s SER 46 CO -0.08 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.39 3grg n GLY 47 N -0.47 -1.41 3.19 7.32 0.00 -0.72 -5.00 105.19 108.10 3grg n GLY 47 Ca -0.03 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.41 1.08 0.59 1.61 1.02 -1.26 -0.67 119.74 120.70 3grg s LYS 48 Ca 0.00 -0.86 -0.19 0.00 0.02 0.00 0.00 55.97 54.95 3grg s LYS 48 Cb 0.00 -1.15 -0.04 0.00 -0.52 0.00 0.00 37.83 36.13 3grg s LYS 48 CO 0.00 0.28 1.20 0.95 -0.92 0.00 0.00 175.35 176.86 3grg s THR 49 N -0.88 2.70 0.07 2.17 -4.23 -0.25 -4.81 115.64 110.42 3grg s THR 49 Ca 0.04 0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 60.97 3grg s THR 49 Cb -0.08 -3.17 0.02 0.00 1.34 0.00 0.00 72.50 70.61 3grg s THR 49 CO 0.02 -0.10 0.10 -1.54 -0.54 0.00 0.00 174.62 172.56 3grg n SER 50 N -1.58 0.04 0.29 3.99 3.41 0.50 -0.84 113.62 119.43 3grg n SER 50 Ca 0.13 -1.06 0.19 0.00 -0.26 0.00 0.00 58.87 57.88 3grg n SER 50 Cb 0.50 -0.07 0.90 0.00 -0.26 0.00 0.00 64.21 65.27 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 -0.58 4.33 5.08 -1.93 -1.37 114.58 120.12 3grg h GLU 51 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3grg h GLU 51 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3grg h GLU 51 CO 0.03 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.91 3grg n SER 52 N -3.02 3.44 -0.00 1.42 3.41 -1.26 -4.77 113.62 112.83 3grg n SER 52 Ca -0.01 -1.98 -0.00 0.00 -0.26 0.00 0.00 58.87 56.62 3grg n SER 52 Cb 0.20 -0.38 -0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 1.52 0.44 3.61 5.00 0.00 -0.52 -4.81 105.19 110.44 3grg n GLY 53 Ca 0.21 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.06 2.28 -0.28 1.61 2.02 -1.26 -0.61 118.70 121.40 3grg s GLU 54 Ca 0.00 -0.95 0.01 0.00 0.02 0.00 0.00 54.97 54.05 3grg s GLU 54 Cb 0.00 -2.39 0.08 0.00 0.10 0.00 0.00 34.13 31.92 3grg s GLU 54 CO 0.00 0.53 0.02 -1.17 0.02 0.00 0.00 175.26 174.65 3grg s LEU 55 N -2.16 2.94 0.33 1.80 0.20 0.06 -0.37 118.68 121.47 3grg s LEU 55 Ca 0.22 -1.52 0.07 0.00 0.69 0.00 0.00 54.13 53.60 3grg s LEU 55 Cb -0.11 -1.17 -0.03 0.00 -0.43 0.00 0.00 46.19 44.45 3grg s LEU 55 CO 0.14 -0.32 0.31 -1.00 -0.29 0.00 0.00 176.35 175.19 3grg s HIS 56 N 1.36 2.94 -1.11 5.38 3.76 -1.26 -3.07 115.29 123.29 3grg s HIS 56 Ca 0.03 -0.28 -0.05 0.00 -0.15 0.00 0.00 55.06 54.60 3grg s HIS 56 Cb -0.18 -1.80 0.01 0.00 1.11 0.00 0.00 32.58 31.71 3grg s HIS 56 CO -0.12 0.18 0.67 0.41 -0.85 0.00 0.00 174.74 175.03 3grg n GLY 57 N -1.40 -0.21 0.21 -2.22 0.00 -1.26 -4.93 105.19 95.38 3grg n GLY 57 Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.54 0.88 0.00 0.99 3.38 -1.84 -3.48 115.31 113.70 3grg h LEU 58 Ca -0.42 -0.61 -0.26 0.00 0.09 0.00 0.00 57.88 56.68 3grg h LEU 58 Cb 1.28 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 3grg h LEU 58 CO 0.43 1.41 -0.11 1.07 0.09 0.00 0.00 178.44 181.33 3grg n THR 59 N -3.89 0.00 -4.39 0.22 5.66 -1.26 -4.79 114.28 105.83 3grg n THR 59 Ca -0.08 -1.69 -0.25 0.00 -3.05 0.00 0.00 64.05 58.98 3grg n THR 59 Cb 0.79 1.08 -0.09 0.00 -1.55 0.00 0.00 70.33 70.55 3grg n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3grg s THR 60 N -2.75 2.62 0.43 1.09 -4.23 -1.26 -4.59 115.64 106.94 3grg s THR 60 Ca 0.28 -2.07 0.11 0.00 -1.18 0.00 0.00 61.69 58.83 3grg s THR 60 Cb -0.01 -2.71 0.30 0.00 1.34 0.00 0.00 72.50 71.42 3grg s THR 60 CO 0.20 -0.24 2.02 -0.08 -0.54 0.00 0.00 174.62 175.97 3grg h GLU 61 N 1.92 0.43 -0.18 3.99 4.57 -1.99 -0.76 114.58 122.55 3grg h GLU 61 Ca -0.42 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 57.70 3grg h GLU 61 Cb 1.25 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 3grg h GLU 61 CO 0.66 0.29 -0.02 1.49 -1.18 0.00 0.00 179.01 180.25 3grg h GLU 62 N 0.45 0.33 0.00 1.92 4.81 -2.03 -3.18 114.58 116.87 3grg h GLU 62 Ca 0.21 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3grg h GLU 62 Cb 0.28 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3grg h GLU 62 CO -0.06 0.57 -0.32 0.93 -0.73 0.00 0.00 179.01 179.40 3grg h GLU 63 N 0.06 0.00 -3.49 1.92 5.08 -1.82 -3.36 114.58 112.97 3grg h GLU 63 Ca 0.05 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.69 3grg h GLU 63 Cb 0.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3grg h GLU 63 CO 0.01 0.32 2.94 0.34 -1.00 0.00 0.00 179.01 181.62 3grg n PHE 64 N -3.39 3.03 -1.24 4.33 7.35 -0.35 -4.94 117.46 122.26 3grg n PHE 64 Ca 0.01 -2.94 -0.29 0.00 -0.76 0.00 0.00 57.45 53.47 3grg n PHE 64 Cb 0.52 -2.31 0.17 0.00 0.35 0.00 0.00 39.48 38.21 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 1.76 2.12 0.51 -2.13 -7.23 -1.26 -4.98 120.40 109.20 3grg s VAL 65 Ca 0.51 0.04 -0.22 0.00 -1.81 0.00 0.00 61.98 60.50 3grg s VAL 65 Cb 0.14 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 3grg s VAL 65 CO -0.06 -0.05 1.30 -0.70 -0.31 0.00 0.00 175.10 175.28 3grg s GLU 66 N -5.02 3.38 0.00 4.82 2.12 -1.26 -4.89 118.70 117.85 3grg s GLU 66 Ca 0.65 2.11 0.00 0.00 0.36 0.00 0.00 54.97 58.09 3grg s GLU 66 Cb -0.18 -2.34 0.00 0.00 0.26 0.00 0.00 34.13 31.87 3grg s GLU 66 CO 0.57 -0.96 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 3grg n GLY 67 N 0.64 -2.55 3.57 -1.50 0.00 -1.06 -5.00 105.19 99.29 3grg n GLY 67 Ca 0.09 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.22 4.54 0.08 -0.61 1.01 -1.26 -0.02 121.20 122.72 3grg s ILE 68 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.63 3grg s ILE 68 Cb 0.00 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 3grg s ILE 68 CO 0.00 0.43 -0.24 -0.31 0.00 0.00 0.00 174.94 174.83 3grg s TYR 69 N 0.68 2.39 -0.08 3.97 1.51 -0.20 -0.11 117.35 125.51 3grg s TYR 69 Ca 0.02 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 3grg s TYR 69 Cb -0.13 -1.35 0.00 0.00 -0.11 0.00 0.00 41.96 40.36 3grg s TYR 69 CO 0.02 0.26 -0.20 0.21 -1.11 0.00 0.00 175.55 174.72 3grg s LYS 70 N -1.67 2.46 -0.25 -0.62 2.20 -0.16 -0.87 119.74 120.83 3grg s LYS 70 Ca 0.14 -0.72 -0.07 0.00 -0.36 0.00 0.00 55.97 54.95 3grg s LYS 70 Cb -0.10 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 3grg s LYS 70 CO 0.05 0.17 0.07 0.08 -0.36 0.00 0.00 175.35 175.36 3grg s VAL 71 N 0.33 4.37 -0.21 4.02 1.01 0.19 -0.67 120.40 129.45 3grg s VAL 71 Ca -0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3grg s VAL 71 Cb -0.16 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3grg s VAL 71 CO 0.06 0.34 0.03 -1.61 0.00 0.00 0.00 175.10 173.93 3grg s GLU 72 N 1.55 3.71 -0.19 2.72 2.02 0.33 -0.46 118.70 128.37 3grg s GLU 72 Ca 0.06 -0.47 -0.05 0.00 0.02 0.00 0.00 54.97 54.53 3grg s GLU 72 Cb -0.15 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 3grg s GLU 72 CO 0.04 0.02 0.01 0.42 0.02 0.00 0.00 175.26 175.77 3grg s ILE 73 N 1.01 4.11 -0.26 -1.63 1.01 0.65 -1.02 121.20 125.07 3grg s ILE 73 Ca 0.03 -0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.15 3grg s ILE 73 Cb -0.14 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.48 3grg s ILE 73 CO 0.02 0.44 0.93 -1.81 0.00 0.00 0.00 174.94 174.52 3grg s ASP 74 N 0.83 6.91 0.00 3.58 1.01 0.51 -0.12 116.67 129.39 3grg s ASP 74 Ca 0.01 1.09 0.00 0.00 0.71 0.00 0.00 52.55 54.36 3grg s ASP 74 Cb -0.14 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3grg s ASP 74 CO 0.02 -0.64 0.30 0.35 0.21 0.00 0.00 175.17 175.41 3grg n THR 75 N 5.41 0.00 -0.14 -1.27 -2.24 -0.51 -4.55 114.28 110.98 3grg n THR 75 Ca 0.08 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 3grg n THR 75 Cb 0.47 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.34 -0.39 -0.78 3.64 -1.74 -1.80 116.57 115.16 3grg h LYS 76 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3grg h LYS 76 Cb 0.03 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3grg h LYS 76 CO 0.00 -0.23 0.00 -1.13 -2.27 0.00 0.00 179.45 175.82 3grg n SER 77 N -5.40 3.11 -0.17 4.20 3.41 -1.26 -4.44 113.62 113.07 3grg n SER 77 Ca -0.02 -1.92 0.04 0.00 -0.26 0.00 0.00 58.87 56.72 3grg n SER 77 Cb 0.35 -0.25 0.33 0.00 -0.26 0.00 0.00 64.21 64.37 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 3.06 0.79 -0.70 7.33 3.20 -1.63 -1.35 116.97 127.66 3grg h TYR 78 Ca 0.00 0.02 -0.37 0.00 3.14 0.00 0.00 58.73 61.52 3grg h TYR 78 Cb 0.80 -0.26 -0.22 0.00 1.54 0.00 0.00 36.73 38.59 3grg h TYR 78 CO 0.25 0.45 0.30 0.91 -1.64 0.00 0.00 178.16 178.43 3grg n TRP 79 N -4.46 2.17 -0.21 -3.82 8.01 -1.26 -4.58 117.44 113.30 3grg n TRP 79 Ca 0.09 -1.81 0.02 0.00 -1.31 0.00 0.00 57.50 54.49 3grg n TRP 79 Cb 0.15 -0.75 0.13 0.00 -2.01 0.00 0.00 31.31 28.82 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 1.07 0.29 0.00 -0.99 3.64 -1.41 -2.22 116.57 116.95 3grg h LYS 80 Ca 0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3grg h LYS 80 Cb 2.21 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.97 3grg h LYS 80 CO 0.80 0.19 0.00 0.00 -2.27 0.00 0.00 179.45 178.17 3grg h ALA 81 N 1.49 1.00 0.00 5.00 0.00 -1.81 0.51 119.26 125.46 3grg h ALA 81 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3grg h ALA 81 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3grg h ALA 81 CO -0.40 0.00 -0.70 -0.07 0.00 0.00 0.00 179.25 178.08 3grg h LEU 82 N 0.00 0.00 0.00 0.00 3.38 -1.74 -3.47 115.31 113.48 3grg h LEU 82 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3grg h LEU 82 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3grg h LEU 82 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3grg n GLY 83 N 1.24 0.57 3.21 0.83 0.00 0.17 -5.04 105.19 106.16 3grg n GLY 83 Ca 0.02 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 1.80 -0.26 -0.61 1.01 -1.13 -5.07 121.20 114.95 3grg s ILE 84 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 3grg s ILE 84 Cb 0.00 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 3grg s ILE 84 CO 0.00 0.51 0.36 -0.55 0.00 0.00 0.00 174.94 175.25 3grg s SER 85 N -0.00 6.26 0.96 3.58 0.15 -1.26 -4.23 113.70 119.15 3grg s SER 85 Ca -0.06 0.30 -0.16 0.00 0.70 0.00 0.00 55.95 56.73 3grg s SER 85 Cb -0.14 -2.20 0.21 0.00 -1.71 0.00 0.00 66.02 62.18 3grg s SER 85 CO 0.04 -0.15 1.32 -2.16 1.20 0.00 0.00 173.24 173.49 3grg s PRO 86 N 1.91 0.59 0.47 5.44 0.04 -1.26 -4.95 135.00 137.23 3grg s PRO 86 Ca 0.15 -0.48 0.21 0.00 0.04 0.00 0.00 61.00 60.91 3grg s PRO 86 Cb -0.16 -1.86 1.15 0.00 0.04 0.00 0.00 34.50 33.67 3grg s PRO 86 CO 0.09 -2.43 1.98 0.00 0.04 0.00 0.00 177.00 176.69 3grg h MET 87 N -1.64 0.00 -2.41 4.56 -0.00 -1.31 -3.45 114.93 110.69 3grg h MET 87 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.25 3grg h MET 87 Cb 1.23 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 32.67 3grg h MET 87 CO 0.36 0.20 0.27 -1.58 -0.00 0.00 0.00 176.91 176.16 3grg s HIS 88 N -4.27 -0.55 -1.33 -0.10 5.65 -1.26 -5.05 115.29 108.39 3grg s HIS 88 Ca -0.03 0.64 0.22 0.00 0.25 0.00 0.00 55.06 56.15 3grg s HIS 88 Cb 0.14 0.49 1.09 0.00 -1.18 0.00 0.00 32.58 33.12 3grg s HIS 88 CO 0.65 -0.68 1.73 -0.85 -0.65 0.00 0.00 174.74 174.94 3grg n GLU 89 N 0.22 0.24 -4.22 2.88 0.00 -1.26 -4.59 120.64 113.91 3grg n GLU 89 Ca -0.16 0.08 -0.15 0.00 0.00 0.00 0.00 57.16 56.94 3grg n GLU 89 Cb 0.61 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.45 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 -2.67 1.22 -0.20 -1.84 3.76 -1.26 -1.43 115.29 112.86 3grg s HIS 90 Ca 0.19 -0.70 -0.08 0.00 -0.15 0.00 0.00 55.06 54.32 3grg s HIS 90 Cb 0.15 -0.63 -0.04 0.00 1.11 0.00 0.00 32.58 33.16 3grg s HIS 90 CO 0.36 0.06 0.08 0.00 -0.85 0.00 0.00 174.74 174.39 3grg s ALA 91 N -2.87 3.43 -0.05 -1.40 0.00 0.83 -4.84 121.76 116.87 3grg s ALA 91 Ca 0.12 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.34 3grg s ALA 91 Cb -0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 3grg s ALA 91 CO 0.01 0.05 -0.24 -1.21 0.00 0.00 0.00 175.76 174.37 3grg s GLU 92 N 0.60 2.44 -0.04 0.00 2.02 -1.26 -0.26 118.70 122.21 3grg s GLU 92 Ca 0.04 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.17 3grg s GLU 92 Cb -0.13 -2.16 0.01 0.00 0.10 0.00 0.00 34.13 31.95 3grg s GLU 92 CO 0.01 0.45 -0.10 0.08 0.02 0.00 0.00 175.26 175.73 3grg s VAL 93 N -0.34 0.87 -0.11 2.63 1.01 0.39 -4.97 120.40 119.88 3grg s VAL 93 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 3grg s VAL 93 Cb -0.12 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3grg s VAL 93 CO 0.02 0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 174.66 3grg s VAL 94 N 0.41 3.83 0.05 2.92 1.01 -1.26 0.56 120.40 127.92 3grg s VAL 94 Ca -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3grg s VAL 94 Cb -0.12 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3grg s VAL 94 CO 0.01 0.55 -0.04 0.72 0.00 0.00 0.00 175.10 176.34 3grg s PHE 95 N -0.24 0.52 -0.23 5.22 -0.71 -0.05 -4.99 117.98 117.48 3grg s PHE 95 Ca 0.04 -0.81 -0.10 0.00 -1.04 0.00 0.00 56.93 55.02 3grg s PHE 95 Cb -0.13 -0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.29 3grg s PHE 95 CO 0.02 -0.25 0.14 0.99 -1.34 0.00 0.00 175.22 174.79 3grg s THR 96 N -2.79 5.21 -0.09 -4.49 2.01 -1.26 -1.03 115.64 113.20 3grg s THR 96 Ca -0.02 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 3grg s THR 96 Cb -0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 3grg s THR 96 CO -0.05 0.36 0.01 0.00 -0.69 0.00 0.00 174.62 174.25 3grg s ALA 97 N 1.04 3.34 -0.69 7.40 0.00 0.97 -4.88 121.76 128.93 3grg s ALA 97 Ca 0.07 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 3grg s ALA 97 Cb -0.14 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 3grg s ALA 97 CO 0.04 0.59 0.64 0.09 0.00 0.00 0.00 175.76 177.12 3grg n ASN 98 N 2.11 -6.69 -1.93 0.00 5.03 -1.26 -2.55 115.26 109.96 3grg n ASN 98 Ca -0.19 -0.19 -0.03 0.00 0.87 0.00 0.00 54.58 55.05 3grg n ASN 98 Cb 0.54 -4.62 0.32 0.00 -1.02 0.00 0.00 39.78 34.99 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 -1.97 4.94 0.00 6.41 10.43 -1.26 -4.62 116.55 130.48 3grg n ASP 99 Ca -0.01 -3.08 0.00 0.00 2.57 0.00 0.00 54.79 54.26 3grg n ASP 99 Cb 0.52 -0.72 0.00 0.00 1.84 0.00 0.00 41.12 42.76 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 0.07 0.00 -1.90 -2.24 7.64 -1.26 -5.16 113.62 110.77 3grg n SER 100 Ca 0.36 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.24 3grg n SER 100 Cb 1.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.50 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 -0.12 3.99 3.76 0.23 0.00 -1.26 -5.09 105.19 106.70 3grg n GLY 101 Ca 0.00 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.83 3.34 0.00 1.61 0.04 -1.26 -4.88 135.00 132.02 3grg s PRO 102 Ca 0.00 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.23 3grg s PRO 102 Cb 0.00 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 3grg s PRO 102 CO 0.00 -1.01 -0.06 1.03 0.04 0.00 0.00 177.00 177.00 3grg s ARG 103 N -2.80 0.44 0.14 4.56 1.81 -1.26 -3.66 118.95 118.19 3grg s ARG 103 Ca 0.68 -0.29 -0.16 0.00 -1.72 0.00 0.00 55.73 54.24 3grg s ARG 103 Cb -0.39 -0.39 -0.07 0.00 -0.45 0.00 0.00 34.95 33.65 3grg s ARG 103 CO 0.46 0.10 0.58 1.03 -0.68 0.00 0.00 175.30 176.79 3grg s ARG 104 N -0.40 4.06 -0.09 3.54 1.81 0.25 -4.87 118.95 123.25 3grg s ARG 104 Ca -0.00 0.59 0.02 0.00 -1.72 0.00 0.00 55.73 54.61 3grg s ARG 104 Cb -0.04 -2.98 0.01 0.00 -0.45 0.00 0.00 34.95 31.50 3grg s ARG 104 CO -0.00 0.50 -0.13 0.71 -0.68 0.00 0.00 175.30 175.69 3grg s TYR 105 N -1.41 1.68 -0.18 -0.53 1.51 0.35 -1.36 117.35 117.41 3grg s TYR 105 Ca 0.37 -0.72 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 3grg s TYR 105 Cb -0.16 -1.24 -0.01 0.00 -0.11 0.00 0.00 41.96 40.44 3grg s TYR 105 CO 0.19 -0.38 -0.09 0.99 -1.11 0.00 0.00 175.55 175.15 3grg s THR 106 N 0.90 3.19 -0.34 -0.71 2.01 -0.48 -1.10 115.64 119.12 3grg s THR 106 Ca -0.09 -0.58 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 3grg s THR 106 Cb -0.15 -2.40 -0.00 0.00 0.01 0.00 0.00 72.50 69.96 3grg s THR 106 CO 0.01 0.48 0.19 -0.63 -0.69 0.00 0.00 174.62 173.98 3grg s ILE 107 N 0.96 4.80 -0.15 1.82 -1.09 -0.28 -0.41 121.20 126.84 3grg s ILE 107 Ca -0.01 -0.48 -0.05 0.00 -2.23 0.00 0.00 60.65 57.87 3grg s ILE 107 Cb -0.15 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 3grg s ILE 107 CO -0.00 -0.04 0.03 0.00 -1.23 0.00 0.00 174.94 173.69 3grg s ALA 108 N 1.63 3.30 -0.10 9.38 0.00 -0.22 -0.71 121.76 135.05 3grg s ALA 108 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3grg s ALA 108 Cb -0.18 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.23 3grg s ALA 108 CO 0.08 0.29 -0.10 0.00 0.00 0.00 0.00 175.76 176.03 3grg s ALA 109 N 0.06 1.31 -0.30 0.00 0.00 0.48 -1.51 121.76 121.80 3grg s ALA 109 Ca 0.04 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 3grg s ALA 109 Cb -0.13 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3grg s ALA 109 CO 0.01 -0.21 0.10 -1.64 0.00 0.00 0.00 175.76 174.02 3grg s MET 110 N 1.30 3.12 -0.09 0.00 -1.94 0.48 -0.55 119.30 121.61 3grg s MET 110 Ca -0.03 -0.84 -0.01 0.00 -1.71 0.00 0.00 55.69 53.10 3grg s MET 110 Cb -0.14 -3.43 -0.03 0.00 2.01 0.00 0.00 34.83 33.25 3grg s MET 110 CO -0.04 -0.45 -0.05 -0.51 -0.01 0.00 0.00 175.02 173.96 3grg s LEU 111 N 1.52 3.25 0.22 -0.03 1.43 -0.62 -1.50 118.68 122.95 3grg s LEU 111 Ca 0.03 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3grg s LEU 111 Cb -0.17 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 3grg s LEU 111 CO 0.03 0.32 -0.06 -0.44 0.23 0.00 0.00 176.35 176.43 3grg s SER 112 N -0.53 2.14 0.39 2.29 0.01 -0.28 -0.96 113.70 116.76 3grg s SER 112 Ca 0.08 -1.14 0.15 0.00 1.31 0.00 0.00 55.95 56.35 3grg s SER 112 Cb -0.12 -0.06 1.00 0.00 0.21 0.00 0.00 66.02 67.06 3grg s SER 112 CO 0.02 -0.38 1.83 -0.65 0.41 0.00 0.00 173.24 174.47 3grg h PRO 113 N 2.51 0.48 0.00 12.44 0.11 -1.98 -3.12 132.00 142.44 3grg h PRO 113 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3grg h PRO 113 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3grg h PRO 113 CO 0.65 0.32 -0.02 0.66 -0.21 0.00 0.00 178.00 179.40 3grg n TYR 114 N -4.57 0.00 -3.53 0.65 4.02 -1.26 -0.77 117.16 111.71 3grg n TYR 114 Ca 0.21 -0.86 -0.17 0.00 -0.01 0.00 0.00 57.90 57.06 3grg n TYR 114 Cb 0.68 -0.13 -0.06 0.00 -0.02 0.00 0.00 39.34 39.82 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 -2.44 -0.61 0.08 7.72 0.15 -1.18 -5.00 113.70 112.43 3grg s SER 115 Ca 0.25 0.56 -0.20 0.00 0.70 0.00 0.00 55.95 57.26 3grg s SER 115 Cb 0.22 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 65.10 3grg s SER 115 CO 0.02 -0.65 0.48 -0.72 1.20 0.00 0.00 173.24 173.57 3grg s TYR 116 N -1.59 -0.35 -0.04 3.44 1.13 -1.26 -1.12 117.35 117.55 3grg s TYR 116 Ca -0.09 0.25 0.07 0.00 -1.41 0.00 0.00 57.07 55.88 3grg s TYR 116 Cb -0.00 0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 41.17 3grg s TYR 116 CO 0.06 -0.68 -0.24 -1.12 -2.51 0.00 0.00 175.55 171.06 3grg s SER 117 N -2.32 2.92 0.02 -0.18 0.01 -0.56 -4.98 113.70 108.61 3grg s SER 117 Ca -0.02 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.78 3grg s SER 117 Cb 0.00 -0.62 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 3grg s SER 117 CO -0.06 0.26 -0.06 0.28 0.41 0.00 0.00 173.24 174.07 3grg s THR 118 N -0.31 0.44 -0.01 1.44 -1.32 -1.26 -0.39 115.64 114.23 3grg s THR 118 Ca 0.01 -0.60 0.02 0.00 -1.21 0.00 0.00 61.69 59.92 3grg s THR 118 Cb -0.12 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 3grg s THR 118 CO 0.02 -0.12 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.37 3grg s THR 119 N -0.69 0.46 -0.29 5.08 2.01 -0.57 -5.00 115.64 116.65 3grg s THR 119 Ca -0.04 -0.21 -0.10 0.00 0.31 0.00 0.00 61.69 61.65 3grg s THR 119 Cb -0.06 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 3grg s THR 119 CO 0.00 0.15 0.17 0.00 -0.69 0.00 0.00 174.62 174.25 3grg s ALA 120 N 0.11 3.43 -0.27 7.40 0.00 -1.26 -1.05 121.76 130.13 3grg s ALA 120 Ca -0.01 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 3grg s ALA 120 Cb -0.05 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 3grg s ALA 120 CO -0.00 -0.63 0.14 0.08 0.00 0.00 0.00 175.76 175.35 3grg s VAL 121 N 1.71 4.95 -0.24 0.00 1.01 0.46 -4.96 120.40 123.32 3grg s VAL 121 Ca 0.07 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.12 3grg s VAL 121 Cb -0.16 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 32.93 3grg s VAL 121 CO 0.09 0.29 -0.13 -0.69 0.00 0.00 0.00 175.10 174.66 3grg s VAL 122 N 1.67 2.15 0.15 2.92 1.01 -1.26 -1.38 120.40 125.67 3grg s VAL 122 Ca 0.07 -1.50 0.11 0.00 0.00 0.00 0.00 61.98 60.66 3grg s VAL 122 Cb -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3grg s VAL 122 CO 0.08 0.08 -0.26 0.42 0.00 0.00 0.00 175.10 175.43 3grg s THR 123 N 1.14 2.24 -0.20 3.92 -4.23 -0.46 -4.98 115.64 113.07 3grg s THR 123 Ca -0.06 -1.82 -0.23 0.00 -1.18 0.00 0.00 61.69 58.40 3grg s THR 123 Cb -0.19 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 3grg s THR 123 CO -0.07 0.01 0.71 0.21 -0.54 0.00 0.00 174.62 174.95 3grg s ASN 124 N -2.23 6.77 0.00 3.99 3.04 -1.26 -0.58 114.94 124.67 3grg s ASN 124 Ca 0.15 0.95 0.24 0.00 0.04 0.00 0.00 52.86 54.24 3grg s ASN 124 Cb -0.09 -2.39 1.42 0.00 -1.54 0.00 0.00 41.25 38.64 3grg s ASN 124 CO 0.07 -0.35 1.78 -0.81 -3.04 0.00 0.00 177.10 174.75