#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 0.31 -2.99 0.00 0.13 -1.89 -3.42 132.00 124.14 3grg h PRO 11 Ca 0.00 -0.03 -0.25 0.00 -0.87 0.00 0.00 66.00 64.85 3grg h PRO 11 Cb 0.00 -0.06 -0.34 0.00 0.13 0.00 0.00 31.00 30.73 3grg h PRO 11 CO 0.00 0.27 -0.58 -1.17 -0.23 0.00 0.00 178.00 176.29 3grg s LEU 12 N -9.16 -0.10 0.03 1.56 0.20 -1.25 -0.67 118.68 109.28 3grg s LEU 12 Ca -0.07 0.46 0.06 0.00 0.69 0.00 0.00 54.13 55.27 3grg s LEU 12 Cb 0.17 0.49 -0.02 0.00 -0.43 0.00 0.00 46.19 46.40 3grg s LEU 12 CO 0.72 -0.23 -0.18 -0.32 -0.29 0.00 0.00 176.35 176.05 3grg s MET 13 N 2.23 1.21 -0.04 1.98 1.75 0.20 -4.35 119.30 122.28 3grg s MET 13 Ca 0.01 -0.82 0.05 0.00 -1.25 0.00 0.00 55.69 53.68 3grg s MET 13 Cb -0.12 -1.27 -0.01 0.00 2.84 0.00 0.00 34.83 36.28 3grg s MET 13 CO -0.07 0.32 -0.21 0.08 -0.65 0.00 0.00 175.02 174.49 3grg s VAL 14 N -0.76 1.70 -0.07 10.11 1.01 -0.85 -1.15 120.40 130.39 3grg s VAL 14 Ca 0.05 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3grg s VAL 14 Cb -0.08 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.88 3grg s VAL 14 CO 0.01 0.48 -0.04 -0.75 0.00 0.00 0.00 175.10 174.80 3grg s LYS 15 N -0.17 0.97 -0.16 2.72 2.20 0.33 0.10 119.74 125.74 3grg s LYS 15 Ca -0.01 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 3grg s LYS 15 Cb -0.11 -1.09 -0.00 0.00 -1.51 0.00 0.00 37.83 35.11 3grg s LYS 15 CO 0.02 -0.19 -0.15 0.08 -0.36 0.00 0.00 175.35 174.75 3grg s VAL 16 N 1.44 2.72 -0.09 4.02 1.01 0.57 -0.71 120.40 129.35 3grg s VAL 16 Ca -0.02 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3grg s VAL 16 Cb -0.13 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3grg s VAL 16 CO -0.03 0.51 -0.17 -0.76 0.00 0.00 0.00 175.10 174.65 3grg s LEU 17 N 0.81 2.53 -0.52 3.92 1.43 -0.05 -1.25 118.68 125.56 3grg s LEU 17 Ca -0.05 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 3grg s LEU 17 Cb -0.15 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3grg s LEU 17 CO 0.00 0.22 1.12 -0.62 0.23 0.00 0.00 176.35 177.30 3grg s ASP 18 N -0.00 6.52 0.00 2.29 -1.08 0.96 -0.73 116.67 124.64 3grg s ASP 18 Ca -0.05 0.21 0.28 0.00 -0.52 0.00 0.00 52.55 52.47 3grg s ASP 18 Cb -0.15 -2.53 1.12 0.00 -1.46 0.00 0.00 42.92 39.90 3grg s ASP 18 CO 0.05 -1.32 1.83 0.00 0.52 0.00 0.00 175.17 176.25 3grg n ALA 19 N 7.97 2.63 0.00 3.66 0.00 0.22 -1.42 120.51 133.57 3grg n ALA 19 Ca 0.09 -0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 3grg n ALA 19 Cb 0.49 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 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 0.05 0.95 -0.00 0.00 2.07 -1.91 -3.38 116.25 114.03 3grg h VAL 20 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 3grg h VAL 20 Cb 0.47 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3grg h VAL 20 CO 0.00 0.71 -0.92 0.54 0.02 0.00 0.00 177.57 177.92 3grg n ARG 21 N -3.88 0.04 -2.77 1.57 1.74 -1.24 -5.01 116.66 107.10 3grg n ARG 21 Ca -0.27 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 56.68 3grg n ARG 21 Cb 0.91 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.91 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 1.50 -0.19 3.42 -0.13 0.00 -0.51 -5.05 105.19 104.22 3grg n GLY 22 Ca 0.04 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.61 -0.29 0.64 1.61 1.04 -1.08 -5.03 113.70 106.99 3grg s SER 23 Ca 0.12 -0.35 -0.17 0.00 0.48 0.00 0.00 55.95 56.02 3grg s SER 23 Cb -0.02 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 3grg s SER 23 CO 0.46 -0.95 1.20 -2.16 0.98 0.00 0.00 173.24 172.77 3grg s PRO 24 N -3.83 2.70 -0.43 4.02 0.04 -1.26 -0.02 135.00 136.22 3grg s PRO 24 Ca 0.06 1.78 -0.22 0.00 0.04 0.00 0.00 61.00 62.66 3grg s PRO 24 Cb 0.00 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.67 3grg s PRO 24 CO -0.08 -1.41 0.73 0.00 0.04 0.00 0.00 177.00 176.28 3grg s ALA 25 N -1.76 3.34 -0.08 8.56 0.00 -0.38 -4.54 121.76 126.90 3grg s ALA 25 Ca 0.76 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 3grg s ALA 25 Cb -0.30 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3grg s ALA 25 CO 0.38 -1.78 0.08 0.42 0.00 0.00 0.00 175.76 174.85 3grg s ILE 26 N 3.09 4.90 -1.73 0.00 1.01 -1.26 -4.09 121.20 123.12 3grg s ILE 26 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3grg s ILE 26 Cb -0.13 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.21 3grg s ILE 26 CO 0.20 0.56 0.00 0.59 0.00 0.00 0.00 174.94 176.29 3grg n ASN 27 N 1.88 -5.19 -4.75 3.58 3.02 -0.74 -4.93 115.26 108.13 3grg n ASN 27 Ca -0.18 0.19 -0.38 0.00 -0.03 0.00 0.00 54.58 54.18 3grg n ASN 27 Cb 0.54 -4.44 -0.06 0.00 -0.61 0.00 0.00 39.78 35.21 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 -2.79 5.05 0.23 2.41 1.01 -1.26 -4.66 120.40 120.39 3grg s VAL 28 Ca 0.00 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 3grg s VAL 28 Cb 0.00 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 3grg s VAL 28 CO 0.00 0.38 1.19 0.00 0.00 0.00 0.00 175.10 176.66 3grg s ALA 29 N 0.17 3.44 -0.10 5.51 0.00 -1.26 -1.43 121.76 128.09 3grg s ALA 29 Ca 0.29 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3grg s ALA 29 Cb -0.17 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3grg s ALA 29 CO 0.14 -0.35 -0.08 0.08 0.00 0.00 0.00 175.76 175.55 3grg s VAL 30 N -0.49 1.02 -0.15 0.00 1.01 -0.71 -0.54 120.40 120.55 3grg s VAL 30 Ca 0.50 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3grg s VAL 30 Cb -0.33 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3grg s VAL 30 CO 0.40 0.36 -0.09 -1.00 0.00 0.00 0.00 175.10 174.77 3grg s HIS 31 N 1.43 2.90 -0.13 5.22 3.76 0.11 -2.13 115.29 126.45 3grg s HIS 31 Ca -0.00 -0.57 -0.05 0.00 -0.15 0.00 0.00 55.06 54.29 3grg s HIS 31 Cb -0.13 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 3grg s HIS 31 CO -0.05 -0.19 0.06 0.08 -0.85 0.00 0.00 174.74 173.78 3grg s VAL 32 N 0.48 4.76 0.18 -0.90 1.01 0.10 0.01 120.40 126.05 3grg s VAL 32 Ca -0.07 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 61.94 3grg s VAL 32 Cb -0.15 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3grg s VAL 32 CO 0.04 0.55 -0.19 -0.36 0.00 0.00 0.00 175.10 175.14 3grg s PHE 33 N -0.44 1.94 -0.05 5.22 0.40 0.03 -0.48 117.98 124.61 3grg s PHE 33 Ca 0.09 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 3grg s PHE 33 Cb -0.12 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.45 3grg s PHE 33 CO 0.02 0.40 -0.24 0.50 0.70 0.00 0.00 175.22 176.59 3grg s ARG 34 N -2.89 2.33 0.01 0.44 3.52 -0.14 -0.78 118.95 121.44 3grg s ARG 34 Ca 0.18 -0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 54.60 3grg s ARG 34 Cb -0.06 -2.05 -0.07 0.00 -1.56 0.00 0.00 34.95 31.21 3grg s ARG 34 CO 0.08 0.42 1.75 0.21 -0.81 0.00 0.00 175.30 176.95 3grg s LYS 35 N -0.27 4.17 0.60 5.12 2.47 0.19 -1.02 119.74 131.00 3grg s LYS 35 Ca 0.00 2.36 0.04 0.00 -1.56 0.00 0.00 55.97 56.82 3grg s LYS 35 Cb -0.12 -3.93 0.08 0.00 -1.46 0.00 0.00 37.83 32.40 3grg s LYS 35 CO 0.02 -0.85 0.83 0.00 0.16 0.00 0.00 175.35 175.51 3grg s ALA 36 N 3.78 4.20 0.24 3.13 0.00 0.78 -4.76 121.76 129.13 3grg s ALA 36 Ca 0.78 -1.80 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 3grg s ALA 36 Cb -0.38 -1.78 0.40 0.00 0.00 0.00 0.00 23.12 21.36 3grg s ALA 36 CO 0.34 -0.97 1.78 0.00 0.00 0.00 0.00 175.76 176.91 3grg h ALA 37 N -0.02 1.10 -0.22 0.00 0.00 -1.93 -0.54 119.26 117.64 3grg h ALA 37 Ca -0.36 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3grg h ALA 37 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3grg h ALA 37 CO 0.43 -0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 3grg n ASP 38 N -4.84 2.11 0.00 0.00 5.75 -1.26 -4.83 116.55 113.48 3grg n ASP 38 Ca 0.13 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 3grg n ASP 38 Cb 0.32 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 0.22 -1.42 -4.94 -1.12 -0.08 -0.21 -5.01 116.55 103.99 3grg n ASP 39 Ca 0.09 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.13 3grg n ASP 39 Cb 0.43 -0.72 0.04 0.00 2.34 0.00 0.00 41.12 43.21 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 -2.78 3.02 -0.37 5.18 -4.23 -1.26 -4.74 115.64 110.45 3grg s THR 40 Ca 0.00 -0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 59.93 3grg s THR 40 Cb 0.00 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.66 3grg s THR 40 CO 0.00 -0.17 0.73 0.26 -0.54 0.00 0.00 174.62 174.90 3grg s TRP 41 N -2.93 3.11 -0.10 3.99 0.52 -1.26 -0.16 118.94 122.12 3grg s TRP 41 Ca 0.56 0.43 -0.14 0.00 0.02 0.00 0.00 56.10 56.96 3grg s TRP 41 Cb -0.10 -3.34 -0.05 0.00 -1.15 0.00 0.00 33.47 28.82 3grg s TRP 41 CO 0.42 -0.73 0.35 -1.83 0.02 0.00 0.00 176.95 175.18 3grg s GLU 42 N 2.99 4.10 0.19 4.98 -1.05 -0.19 -4.86 118.70 124.86 3grg s GLU 42 Ca 0.29 0.25 -0.33 0.00 -0.15 0.00 0.00 54.97 55.02 3grg s GLU 42 Cb -0.13 -3.34 -0.14 0.00 -0.44 0.00 0.00 34.13 30.07 3grg s GLU 42 CO 0.17 0.41 1.49 -2.30 0.95 0.00 0.00 175.26 175.98 3grg n PRO 43 N 2.91 2.05 0.00 -4.83 -0.02 -1.26 -0.96 135.00 132.89 3grg n PRO 43 Ca -0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3grg n PRO 43 Cb 0.52 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.73 0.00 -3.52 6.00 7.35 0.37 -4.80 117.46 125.59 3grg n PHE 44 Ca 0.15 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.75 3grg n PHE 44 Cb 0.29 0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.12 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 -1.96 -1.72 0.01 3.13 0.00 -1.02 -5.00 121.76 115.20 3grg s ALA 45 Ca 0.00 0.72 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 3grg s ALA 45 Cb 0.00 0.59 0.06 0.00 0.00 0.00 0.00 23.12 23.78 3grg s ALA 45 CO 0.00 -0.76 0.62 -1.54 0.00 0.00 0.00 175.76 174.08 3grg s SER 46 N -2.62 -0.58 0.08 0.00 1.04 -1.26 0.00 113.70 110.36 3grg s SER 46 Ca 0.05 0.45 -0.09 0.00 0.48 0.00 0.00 55.95 56.84 3grg s SER 46 Cb -0.01 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.67 3grg s SER 46 CO -0.08 -0.69 0.43 0.61 0.98 0.00 0.00 173.24 174.48 3grg n GLY 47 N 0.59 1.04 3.14 7.32 0.00 -0.90 -5.00 105.19 111.37 3grg n GLY 47 Ca -0.19 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.02 1.00 0.56 1.61 1.02 -1.26 -1.74 119.74 118.91 3grg s LYS 48 Ca 0.09 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 55.19 3grg s LYS 48 Cb -0.01 -1.00 -0.05 0.00 -0.52 0.00 0.00 37.83 36.24 3grg s LYS 48 CO 0.02 0.26 1.15 0.95 -0.92 0.00 0.00 175.35 176.81 3grg s THR 49 N -0.72 3.05 0.96 2.17 -4.23 -0.51 -4.81 115.64 111.54 3grg s THR 49 Ca 0.03 0.65 -0.16 0.00 -1.18 0.00 0.00 61.69 61.02 3grg s THR 49 Cb -0.07 -3.25 0.23 0.00 1.34 0.00 0.00 72.50 70.74 3grg s THR 49 CO 0.01 -0.15 1.13 -1.54 -0.54 0.00 0.00 174.62 173.53 3grg n SER 50 N -1.41 -0.59 0.20 3.99 3.41 0.99 -1.79 113.62 118.42 3grg n SER 50 Ca 0.12 -1.32 0.18 0.00 -0.26 0.00 0.00 58.87 57.59 3grg n SER 50 Cb 0.51 -0.91 0.83 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.59 4.33 4.39 -1.92 -1.67 114.58 119.11 3grg h GLU 51 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3grg h GLU 51 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3grg h GLU 51 CO 0.26 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.98 3grg n SER 52 N -3.68 3.37 -0.01 1.42 3.41 -1.26 -4.81 113.62 112.05 3grg n SER 52 Ca 0.02 -2.19 -0.00 0.00 -0.26 0.00 0.00 58.87 56.44 3grg n SER 52 Cb 0.38 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.11 0.27 3.91 5.00 0.00 -0.63 -4.82 105.19 110.03 3grg n GLY 53 Ca 0.19 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.00 3.36 -0.22 1.61 2.02 -1.26 -0.32 118.70 122.89 3grg s GLU 54 Ca 0.00 -0.57 -0.04 0.00 0.02 0.00 0.00 54.97 54.38 3grg s GLU 54 Cb 0.00 -2.95 0.07 0.00 0.10 0.00 0.00 34.13 31.35 3grg s GLU 54 CO 0.00 0.55 0.08 -1.17 0.02 0.00 0.00 175.26 174.75 3grg s LEU 55 N -2.92 0.88 0.36 1.80 0.20 0.12 -0.00 118.68 119.12 3grg s LEU 55 Ca 0.34 -0.97 0.08 0.00 0.69 0.00 0.00 54.13 54.27 3grg s LEU 55 Cb -0.12 -0.45 -0.02 0.00 -0.43 0.00 0.00 46.19 45.17 3grg s LEU 55 CO 0.28 -0.37 0.33 -1.00 -0.29 0.00 0.00 176.35 175.30 3grg s HIS 56 N 1.98 2.84 -1.23 5.38 3.76 -1.26 -2.01 115.29 124.75 3grg s HIS 56 Ca 0.04 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 3grg s HIS 56 Cb -0.16 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.59 3grg s HIS 56 CO -0.17 0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 3grg n GLY 57 N -1.44 1.27 0.32 -2.22 0.00 -1.26 -4.90 105.19 96.95 3grg n GLY 57 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 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 0.98 0.00 0.99 3.38 -1.85 -3.47 115.31 115.34 3grg h LEU 58 Ca -0.24 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.43 3grg h LEU 58 Cb 0.77 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3grg h LEU 58 CO 0.35 0.80 -0.07 1.07 0.09 0.00 0.00 178.44 180.67 3grg n THR 59 N -4.43 0.00 -4.44 0.22 5.66 -1.26 -4.75 114.28 105.28 3grg n THR 59 Ca 0.08 -1.42 -0.22 0.00 -3.05 0.00 0.00 64.05 59.44 3grg n THR 59 Cb 0.09 0.92 -0.10 0.00 -1.55 0.00 0.00 70.33 69.69 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 -2.68 1.90 0.27 1.09 -4.23 -1.26 -4.58 115.64 106.15 3grg s THR 60 Ca 0.23 -2.20 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 3grg s THR 60 Cb -0.01 -2.37 0.26 0.00 1.34 0.00 0.00 72.50 71.72 3grg s THR 60 CO 0.17 -0.36 1.84 -0.08 -0.54 0.00 0.00 174.62 175.64 3grg h GLU 61 N 2.29 0.95 -0.03 3.99 4.81 -1.99 -0.40 114.58 124.20 3grg h GLU 61 Ca -0.40 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 3grg h GLU 61 Cb 1.24 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3grg h GLU 61 CO 0.66 0.63 -0.30 1.49 -0.73 0.00 0.00 179.01 180.75 3grg h GLU 62 N 0.98 0.06 0.00 1.92 4.57 -2.04 -3.06 114.58 117.01 3grg h GLU 62 Ca 0.46 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.59 3grg h GLU 62 Cb 0.39 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3grg h GLU 62 CO -0.24 0.36 -0.62 0.93 -1.18 0.00 0.00 179.01 178.26 3grg h GLU 63 N 0.06 0.00 -3.86 1.92 5.08 -1.50 -3.41 114.58 112.87 3grg h GLU 63 Ca 0.01 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.60 3grg h GLU 63 Cb 0.57 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.61 3grg h GLU 63 CO 0.04 0.08 1.33 0.34 -1.00 0.00 0.00 179.01 179.80 3grg n PHE 64 N -2.91 3.94 -2.10 4.33 7.35 -0.73 -4.97 117.46 122.37 3grg n PHE 64 Ca 0.01 -3.15 -0.27 0.00 -0.76 0.00 0.00 57.45 53.28 3grg n PHE 64 Cb 0.59 -1.88 0.07 0.00 0.35 0.00 0.00 39.48 38.61 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 0.01 2.30 0.38 -2.13 -7.23 -1.26 -4.96 120.40 107.51 3grg s VAL 65 Ca 0.38 -0.13 -0.25 0.00 -1.81 0.00 0.00 61.98 60.16 3grg s VAL 65 Cb 0.01 -3.04 -0.12 0.00 0.56 0.00 0.00 36.38 33.79 3grg s VAL 65 CO 0.01 -0.05 1.01 -0.62 -0.31 0.00 0.00 175.10 175.14 3grg n GLU 66 N -3.04 1.39 -3.66 4.82 1.02 -1.26 -4.88 120.64 115.02 3grg n GLU 66 Ca 0.08 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 3grg n GLU 66 Cb 0.60 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3grg n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3grg n GLY 67 N 1.18 -1.13 3.44 0.62 0.00 -1.18 -4.99 105.19 103.13 3grg n GLY 67 Ca 0.09 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.00 3.85 0.04 -0.61 1.01 -1.26 0.26 121.20 121.48 3grg s ILE 68 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.38 3grg s ILE 68 Cb 0.00 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3grg s ILE 68 CO 0.00 0.44 -0.23 -0.31 0.00 0.00 0.00 174.94 174.84 3grg s TYR 69 N 0.92 2.43 -0.08 3.97 1.51 0.27 -0.64 117.35 125.72 3grg s TYR 69 Ca 0.01 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 3grg s TYR 69 Cb -0.14 -1.44 -0.00 0.00 -0.11 0.00 0.00 41.96 40.27 3grg s TYR 69 CO 0.02 0.17 -0.24 0.21 -1.11 0.00 0.00 175.55 174.59 3grg s LYS 70 N -1.25 2.76 -0.28 -0.62 2.20 0.04 -1.30 119.74 121.29 3grg s LYS 70 Ca 0.13 -0.88 -0.06 0.00 -0.36 0.00 0.00 55.97 54.80 3grg s LYS 70 Cb -0.10 -2.20 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 3grg s LYS 70 CO 0.03 0.27 0.06 0.08 -0.36 0.00 0.00 175.35 175.43 3grg s VAL 71 N 0.11 3.91 -0.29 4.02 1.01 0.60 -0.79 120.40 128.97 3grg s VAL 71 Ca -0.12 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3grg s VAL 71 Cb -0.16 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.28 3grg s VAL 71 CO 0.06 0.16 0.05 -0.70 0.00 0.00 0.00 175.10 174.67 3grg s GLU 72 N 1.51 2.98 -0.25 2.72 2.12 0.10 -1.22 118.70 126.66 3grg s GLU 72 Ca 0.03 -0.92 -0.11 0.00 0.36 0.00 0.00 54.97 54.34 3grg s GLU 72 Cb -0.17 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 3grg s GLU 72 CO 0.02 -0.46 0.17 0.42 -0.54 0.00 0.00 175.26 174.87 3grg s ILE 73 N 1.45 5.35 -0.39 -3.70 1.01 0.64 0.03 121.20 125.59 3grg s ILE 73 Ca 0.01 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.55 3grg s ILE 73 Cb -0.17 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.81 3grg s ILE 73 CO 0.01 0.33 1.14 -1.81 0.00 0.00 0.00 174.94 174.60 3grg s ASP 74 N 1.19 6.75 0.00 3.58 1.01 0.30 -0.90 116.67 128.60 3grg s ASP 74 Ca 0.07 0.80 0.00 0.00 0.71 0.00 0.00 52.55 54.13 3grg s ASP 74 Cb -0.14 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.24 3grg s ASP 74 CO 0.06 -1.09 0.74 0.35 0.21 0.00 0.00 175.17 175.44 3grg n THR 75 N 6.38 0.49 -0.00 -1.27 -2.24 -0.58 -4.59 114.28 112.48 3grg n THR 75 Ca 0.12 -0.74 -0.06 0.00 -2.27 0.00 0.00 64.05 61.11 3grg n THR 75 Cb 0.48 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.21 -0.00 -0.78 3.64 -1.68 -2.71 116.57 114.83 3grg h LYS 76 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3grg h LYS 76 Cb 0.27 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3grg h LYS 76 CO 0.00 -0.14 -0.27 -1.13 -2.27 0.00 0.00 179.45 175.64 3grg n SER 77 N -3.63 0.44 0.33 4.20 3.41 -1.26 -4.39 113.62 112.72 3grg n SER 77 Ca -0.02 -0.22 0.21 0.00 -0.26 0.00 0.00 58.87 58.58 3grg n SER 77 Cb 0.14 -0.01 1.16 0.00 -0.26 0.00 0.00 64.21 65.24 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 0.26 0.00 -0.48 7.33 3.20 -1.79 0.41 116.97 125.91 3grg h TYR 78 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3grg h TYR 78 Cb 0.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3grg h TYR 78 CO 0.00 0.00 0.00 0.91 -1.64 0.00 0.00 178.16 177.43 3grg n TRP 79 N -3.25 0.64 -0.16 -3.82 5.03 -1.26 -4.68 117.44 109.94 3grg n TRP 79 Ca -0.03 -0.45 -0.02 0.00 3.03 0.00 0.00 57.50 60.03 3grg n TRP 79 Cb 0.07 -0.01 0.06 0.00 -1.03 0.00 0.00 31.31 30.40 3grg n TRP 79 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 3grg h LYS 80 N 3.12 0.20 0.00 -0.99 1.63 -0.38 -1.91 116.57 118.25 3grg h LYS 80 Ca 0.00 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 3grg h LYS 80 Cb 0.84 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.42 3grg h LYS 80 CO 0.00 0.14 -0.13 0.00 -3.45 0.00 0.00 179.45 176.01 3grg h ALA 81 N 1.39 1.10 0.00 5.00 0.00 -1.83 0.72 119.26 125.65 3grg h ALA 81 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3grg h ALA 81 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3grg h ALA 81 CO -0.34 0.16 -0.01 1.25 0.00 0.00 0.00 179.25 180.31 3grg h LEU 82 N 0.00 0.00 0.05 0.00 5.85 -1.69 -3.47 115.31 116.05 3grg h LEU 82 Ca -0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3grg h LEU 82 Cb 0.50 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3grg h LEU 82 CO 0.02 0.00 -0.01 0.61 -0.34 0.00 0.00 178.44 178.72 3grg n GLY 83 N 1.16 0.39 3.16 3.75 0.00 0.25 -5.04 105.19 108.86 3grg n GLY 83 Ca 0.04 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.02 1.84 -0.23 -0.61 1.01 -1.19 -5.07 121.20 114.92 3grg s ILE 84 Ca 0.00 -0.88 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 3grg s ILE 84 Cb 0.00 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 3grg s ILE 84 CO 0.00 0.51 0.65 -0.55 0.00 0.00 0.00 174.94 175.55 3grg s SER 85 N 0.57 6.64 0.96 3.58 0.15 -1.26 -4.44 113.70 119.90 3grg s SER 85 Ca -0.14 0.78 -0.15 0.00 0.70 0.00 0.00 55.95 57.14 3grg s SER 85 Cb -0.17 -2.35 0.18 0.00 -1.71 0.00 0.00 66.02 61.97 3grg s SER 85 CO 0.05 -0.35 1.20 -2.16 1.20 0.00 0.00 173.24 173.18 3grg s PRO 86 N 2.32 0.68 0.63 5.44 0.04 -1.26 -4.92 135.00 137.93 3grg s PRO 86 Ca 0.28 -0.05 0.35 0.00 0.04 0.00 0.00 61.00 61.62 3grg s PRO 86 Cb -0.16 -1.82 2.00 0.00 0.04 0.00 0.00 34.50 34.56 3grg s PRO 86 CO 0.09 -2.44 2.21 0.00 0.04 0.00 0.00 177.00 176.90 3grg h MET 87 N -1.67 0.00 -1.69 4.56 -0.00 -0.78 -3.44 114.93 111.92 3grg h MET 87 Ca -0.47 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.27 3grg h MET 87 Cb 1.29 0.00 -0.22 0.00 -0.00 0.00 0.00 31.60 32.67 3grg h MET 87 CO 0.49 0.00 0.44 -1.58 -0.00 0.00 0.00 176.91 176.27 3grg s HIS 88 N -4.36 -0.45 -0.65 -0.10 5.65 -1.26 -5.05 115.29 109.06 3grg s HIS 88 Ca -0.05 0.78 0.17 0.00 0.25 0.00 0.00 55.06 56.22 3grg s HIS 88 Cb 0.13 0.44 0.77 0.00 -1.18 0.00 0.00 32.58 32.74 3grg s HIS 88 CO 0.45 -0.42 1.53 -0.85 -0.65 0.00 0.00 174.74 174.81 3grg n GLU 89 N 0.81 0.10 -4.34 2.88 0.00 -1.26 -4.63 120.64 114.20 3grg n GLU 89 Ca -0.13 0.42 -0.18 0.00 0.00 0.00 0.00 57.16 57.27 3grg n GLU 89 Cb 0.58 -1.73 -0.10 0.00 0.00 0.00 0.00 31.44 30.19 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 -3.22 1.65 -0.21 -1.84 3.76 -1.26 -1.53 115.29 112.64 3grg s HIS 90 Ca 0.03 -0.66 -0.05 0.00 -0.15 0.00 0.00 55.06 54.23 3grg s HIS 90 Cb 0.08 -0.83 -0.02 0.00 1.11 0.00 0.00 32.58 32.91 3grg s HIS 90 CO 0.27 0.26 0.01 0.00 -0.85 0.00 0.00 174.74 174.42 3grg s ALA 91 N -3.09 3.05 -0.10 -1.40 0.00 -0.08 -4.85 121.76 115.29 3grg s ALA 91 Ca 0.23 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3grg s ALA 91 Cb 0.01 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 3grg s ALA 91 CO 0.07 -0.22 -0.20 -1.21 0.00 0.00 0.00 175.76 174.20 3grg s GLU 92 N 1.12 3.03 -0.12 0.00 8.01 -1.26 -0.26 118.70 129.22 3grg s GLU 92 Ca 0.03 -0.81 0.01 0.00 0.01 0.00 0.00 54.97 54.21 3grg s GLU 92 Cb -0.14 -2.39 0.02 0.00 -4.31 0.00 0.00 34.13 27.30 3grg s GLU 92 CO 0.02 0.26 -0.14 0.08 0.01 0.00 0.00 175.26 175.49 3grg s VAL 93 N 0.18 1.43 -0.16 2.63 1.01 -0.36 -4.97 120.40 120.16 3grg s VAL 93 Ca -0.12 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3grg s VAL 93 Cb -0.16 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3grg s VAL 93 CO 0.06 0.43 0.04 -0.69 0.00 0.00 0.00 175.10 174.94 3grg s VAL 94 N 1.18 4.56 0.06 2.92 1.01 -1.26 -0.29 120.40 128.58 3grg s VAL 94 Ca -0.03 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3grg s VAL 94 Cb -0.14 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 3grg s VAL 94 CO -0.04 0.49 -0.09 0.72 0.00 0.00 0.00 175.10 176.18 3grg s PHE 95 N 0.14 0.83 -0.22 5.22 -0.71 -0.42 -5.00 117.98 117.82 3grg s PHE 95 Ca 0.03 -0.56 -0.12 0.00 -1.04 0.00 0.00 56.93 55.24 3grg s PHE 95 Cb -0.13 -0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 41.16 3grg s PHE 95 CO 0.01 -0.06 0.22 0.99 -1.34 0.00 0.00 175.22 175.05 3grg s THR 96 N -1.77 5.32 -0.09 -4.49 2.01 -1.26 -0.57 115.64 114.79 3grg s THR 96 Ca -0.04 0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.23 3grg s THR 96 Cb -0.07 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3grg s THR 96 CO 0.00 0.33 0.15 0.00 -0.69 0.00 0.00 174.62 174.41 3grg s ALA 97 N 1.05 3.90 -0.85 7.40 0.00 0.14 -4.83 121.76 128.57 3grg s ALA 97 Ca 0.11 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 3grg s ALA 97 Cb -0.14 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.05 3grg s ALA 97 CO 0.05 0.66 0.54 0.09 0.00 0.00 0.00 175.76 177.10 3grg n ASN 98 N 1.67 -4.43 -4.65 0.00 5.03 -1.26 -3.09 115.26 108.54 3grg n ASN 98 Ca -0.17 -0.25 -0.42 0.00 0.87 0.00 0.00 54.58 54.60 3grg n ASN 98 Cb 0.54 -3.14 -0.03 0.00 -1.02 0.00 0.00 39.78 36.14 3grg n ASN 98 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3grg s ASP 99 N -3.03 6.27 0.00 6.41 -0.00 -1.26 -4.38 116.67 120.68 3grg s ASP 99 Ca 0.27 2.40 0.00 0.00 -0.00 0.00 0.00 52.55 55.22 3grg s ASP 99 Cb -0.12 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.27 3grg s ASP 99 CO 0.33 -1.23 0.00 -1.20 -0.00 0.00 0.00 175.17 173.07 3grg n SER 100 N 8.38 0.00 -0.24 0.27 7.64 -1.26 -4.96 113.62 123.45 3grg n SER 100 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.09 3grg n SER 100 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.00 6.80 3.62 0.23 0.00 -1.26 -5.07 105.19 109.50 3grg n GLY 101 Ca 0.00 -1.91 -0.46 0.00 0.00 0.00 0.00 46.02 43.65 3grg n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3grg n PRO 102 N 0.00 1.58 -4.43 1.61 -0.04 -1.26 -4.90 135.00 127.57 3grg n PRO 102 Ca 0.00 0.56 -0.29 0.00 -0.04 0.00 0.00 63.50 63.73 3grg n PRO 102 Cb 0.00 -2.11 -0.13 0.00 -0.04 0.00 0.00 33.50 31.22 3grg n PRO 102 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3grg s ARG 103 N -0.63 1.44 -0.04 0.54 1.81 -1.26 -4.88 118.95 115.93 3grg s ARG 103 Ca 0.68 -1.33 -0.21 0.00 -1.72 0.00 0.00 55.73 53.16 3grg s ARG 103 Cb -0.74 -1.91 -0.05 0.00 -0.45 0.00 0.00 34.95 31.81 3grg s ARG 103 CO 0.53 0.46 0.60 1.03 -0.68 0.00 0.00 175.30 177.24 3grg s ARG 104 N -2.00 4.35 -0.13 3.54 1.81 -0.25 -4.84 118.95 121.44 3grg s ARG 104 Ca 0.14 0.73 -0.01 0.00 -1.72 0.00 0.00 55.73 54.86 3grg s ARG 104 Cb -0.10 -3.38 -0.02 0.00 -0.45 0.00 0.00 34.95 30.99 3grg s ARG 104 CO 0.06 0.26 -0.08 0.71 -0.68 0.00 0.00 175.30 175.57 3grg s TYR 105 N 0.18 2.92 -0.16 -0.53 1.51 0.15 -1.05 117.35 120.37 3grg s TYR 105 Ca 0.32 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 3grg s TYR 105 Cb -0.18 -1.86 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 3grg s TYR 105 CO 0.16 -0.02 -0.20 0.99 -1.11 0.00 0.00 175.55 175.37 3grg s THR 106 N 0.11 2.03 -0.36 -0.71 2.01 0.30 -0.63 115.64 118.40 3grg s THR 106 Ca -0.03 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 3grg s THR 106 Cb -0.14 -1.82 -0.00 0.00 0.01 0.00 0.00 72.50 70.55 3grg s THR 106 CO 0.04 0.54 0.24 -0.63 -0.69 0.00 0.00 174.62 174.11 3grg s ILE 107 N 1.12 5.11 -0.15 1.82 -1.09 -0.30 -0.24 121.20 127.46 3grg s ILE 107 Ca 0.00 -0.42 -0.03 0.00 -2.23 0.00 0.00 60.65 57.98 3grg s ILE 107 Cb -0.14 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 3grg s ILE 107 CO -0.09 -0.09 -0.06 0.00 -1.23 0.00 0.00 174.94 173.47 3grg s ALA 108 N 1.68 2.89 -0.09 9.38 0.00 -0.46 -0.51 121.76 134.64 3grg s ALA 108 Ca 0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 3grg s ALA 108 Cb -0.18 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.49 3grg s ALA 108 CO 0.09 0.17 -0.03 0.00 0.00 0.00 0.00 175.76 175.99 3grg s ALA 109 N 0.45 0.97 -0.38 0.00 0.00 0.11 -0.80 121.76 122.11 3grg s ALA 109 Ca -0.05 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 3grg s ALA 109 Cb -0.15 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3grg s ALA 109 CO 0.03 -0.45 0.29 -1.64 0.00 0.00 0.00 175.76 173.99 3grg s MET 110 N 1.86 3.18 -0.09 0.00 -1.94 0.61 -0.87 119.30 122.05 3grg s MET 110 Ca 0.05 -0.85 -0.01 0.00 -1.71 0.00 0.00 55.69 53.17 3grg s MET 110 Cb -0.12 -3.91 -0.03 0.00 2.01 0.00 0.00 34.83 32.77 3grg s MET 110 CO -0.07 -0.64 -0.05 -0.51 -0.01 0.00 0.00 175.02 173.75 3grg s LEU 111 N 1.73 3.27 0.20 -0.03 1.43 0.10 -1.92 118.68 123.46 3grg s LEU 111 Ca 0.06 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3grg s LEU 111 Cb -0.18 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 3grg s LEU 111 CO 0.10 0.32 0.01 -0.44 0.23 0.00 0.00 176.35 176.57 3grg s SER 112 N -0.54 1.45 0.43 2.29 0.01 0.08 -0.61 113.70 116.82 3grg s SER 112 Ca 0.08 -1.21 0.10 0.00 1.31 0.00 0.00 55.95 56.24 3grg s SER 112 Cb -0.12 0.08 0.95 0.00 0.21 0.00 0.00 66.02 67.14 3grg s SER 112 CO 0.02 -0.56 2.03 -0.65 0.41 0.00 0.00 173.24 174.50 3grg h PRO 113 N 2.58 0.45 0.00 12.44 0.11 -1.98 -3.04 132.00 142.56 3grg h PRO 113 Ca -0.37 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 3grg h PRO 113 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3grg h PRO 113 CO 0.63 0.30 -0.15 0.66 -0.21 0.00 0.00 178.00 179.23 3grg n TYR 114 N -4.48 0.00 -3.57 0.65 4.02 -1.26 0.01 117.16 112.54 3grg n TYR 114 Ca 0.05 -1.10 -0.12 0.00 -0.01 0.00 0.00 57.90 56.73 3grg n TYR 114 Cb 0.19 -0.17 -0.05 0.00 -0.02 0.00 0.00 39.34 39.28 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 -2.92 -0.42 0.05 7.72 0.15 -1.15 -4.98 113.70 112.16 3grg s SER 115 Ca 0.33 0.45 -0.25 0.00 0.70 0.00 0.00 55.95 57.18 3grg s SER 115 Cb 0.30 0.34 0.06 0.00 -1.71 0.00 0.00 66.02 65.01 3grg s SER 115 CO 0.00 -0.39 0.59 -0.72 1.20 0.00 0.00 173.24 173.93 3grg s TYR 116 N -1.14 -0.53 -0.11 3.44 1.13 -1.26 -0.74 117.35 118.14 3grg s TYR 116 Ca -0.03 0.63 0.02 0.00 -1.41 0.00 0.00 57.07 56.27 3grg s TYR 116 Cb -0.00 0.43 0.01 0.00 -1.10 0.00 0.00 41.96 41.30 3grg s TYR 116 CO 0.03 -0.70 -0.17 -1.12 -2.51 0.00 0.00 175.55 171.08 3grg s SER 117 N -1.98 2.61 0.03 -0.18 0.01 -0.81 -5.00 113.70 108.39 3grg s SER 117 Ca -0.05 -0.47 0.07 0.00 1.31 0.00 0.00 55.95 56.80 3grg s SER 117 Cb -0.01 -1.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.02 3grg s SER 117 CO -0.02 0.05 -0.19 0.42 0.41 0.00 0.00 173.24 173.91 3grg s THR 118 N 0.85 1.56 -0.02 1.44 -4.23 -1.26 -0.28 115.64 113.70 3grg s THR 118 Ca -0.09 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 3grg s THR 118 Cb -0.15 -1.35 -0.00 0.00 1.34 0.00 0.00 72.50 72.33 3grg s THR 118 CO -0.00 0.22 -0.09 -0.89 -0.54 0.00 0.00 174.62 173.32 3grg s THR 119 N -0.74 0.78 -0.24 3.99 2.01 0.02 -5.00 115.64 116.46 3grg s THR 119 Ca 0.07 -0.39 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 3grg s THR 119 Cb -0.08 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 3grg s THR 119 CO 0.01 0.23 0.12 0.00 -0.69 0.00 0.00 174.62 174.29 3grg s ALA 120 N -0.03 3.40 -0.25 7.40 0.00 -1.26 -1.35 121.76 129.67 3grg s ALA 120 Ca 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 3grg s ALA 120 Cb -0.06 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 3grg s ALA 120 CO 0.00 -0.28 0.08 0.08 0.00 0.00 0.00 175.76 175.64 3grg s VAL 121 N 1.23 4.39 -0.16 0.00 1.01 0.66 -4.95 120.40 122.58 3grg s VAL 121 Ca 0.06 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3grg s VAL 121 Cb -0.14 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3grg s VAL 121 CO 0.05 0.34 -0.19 -0.69 0.00 0.00 0.00 175.10 174.60 3grg s VAL 122 N 1.58 2.24 0.18 2.92 1.01 -1.26 -0.54 120.40 126.53 3grg s VAL 122 Ca 0.06 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3grg s VAL 122 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 3grg s VAL 122 CO 0.04 0.53 -0.04 0.42 0.00 0.00 0.00 175.10 176.06 3grg s THR 123 N 0.96 0.98 -1.81 3.92 -4.23 -0.22 -4.96 115.64 110.28 3grg s THR 123 Ca -0.03 -2.03 0.15 0.00 -1.18 0.00 0.00 61.69 58.60 3grg s THR 123 Cb -0.15 -2.09 0.11 0.00 1.34 0.00 0.00 72.50 71.72 3grg s THR 123 CO -0.04 -0.53 0.96 -3.20 -0.54 0.00 0.00 174.62 171.26