#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggr s ILE 20 N 0.00 4.42 -0.24 1.09 1.09 0.12 -4.90 121.20 122.78 1ggr s ILE 20 Ca 0.00 -0.17 -0.10 0.00 -1.10 0.00 0.00 60.65 59.28 1ggr s ILE 20 Cb 0.00 -2.96 -0.05 0.00 -1.06 0.00 0.00 42.46 38.39 1ggr s ILE 20 CO 0.00 0.49 0.15 -1.61 -0.10 0.00 0.00 174.94 173.87 1ggr s GLU 21 N 0.26 4.04 -0.23 2.79 2.02 -1.26 0.27 118.70 126.59 1ggr s GLU 21 Ca 0.01 -0.29 -0.16 0.00 0.02 0.00 0.00 54.97 54.56 1ggr s GLU 21 Cb -0.13 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1ggr s GLU 21 CO 0.01 0.05 0.39 0.42 0.02 0.00 0.00 175.26 176.16 1ggr s ILE 22 N 1.07 5.19 0.15 -1.63 -1.09 0.07 -4.93 121.20 120.02 1ggr s ILE 22 Ca 0.07 0.66 -0.11 0.00 -2.23 0.00 0.00 60.65 59.05 1ggr s ILE 22 Cb -0.14 -3.72 -0.07 0.00 -1.58 0.00 0.00 42.46 36.96 1ggr s ILE 22 CO 0.05 0.22 0.49 -0.63 -1.23 0.00 0.00 174.94 173.83 1ggr s ILE 23 N 1.59 4.98 0.03 2.92 -1.09 -0.80 0.39 121.20 129.21 1ggr s ILE 23 Ca 0.18 0.55 -0.31 0.00 -2.23 0.00 0.00 60.65 58.83 1ggr s ILE 23 Cb -0.15 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 36.96 1ggr s ILE 23 CO 0.08 0.16 1.92 0.00 -1.23 0.00 0.00 174.94 175.88 1ggr n ALA 24 N 0.53 1.53 0.24 9.38 0.00 0.47 -4.43 120.51 128.23 1ggr n ALA 24 Ca -0.04 0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.79 1ggr n ALA 24 Cb 0.52 -2.62 0.37 0.00 0.00 0.00 0.00 19.45 17.72 1ggr n ALA 24 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ggr h PRO 25 N 9.84 0.00 -3.81 0.00 0.13 -1.89 0.11 132.00 136.40 1ggr h PRO 25 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1ggr h PRO 25 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 1ggr h PRO 25 CO 0.94 0.00 -0.34 -0.48 -0.23 0.00 0.00 178.00 177.89 1ggr s LEU 26 N -6.19 1.26 0.35 1.56 0.05 -1.26 -0.63 118.68 113.81 1ggr s LEU 26 Ca 0.05 -0.69 -0.20 0.00 0.05 0.00 0.00 54.13 53.34 1ggr s LEU 26 Cb 0.07 1.11 -0.10 0.00 -2.05 0.00 0.00 46.19 45.22 1ggr s LEU 26 CO 0.62 -0.77 0.85 -0.44 -0.55 0.00 0.00 176.35 176.06 1ggr s SER 27 N -2.88 6.98 0.00 1.48 0.01 -1.26 -4.10 113.70 113.93 1ggr s SER 27 Ca 0.08 1.55 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1ggr s SER 27 Cb 0.04 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1ggr s SER 27 CO -0.09 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1ggr n GLY 28 N -0.13 -0.28 3.34 3.44 0.00 -0.96 -1.38 105.19 109.23 1ggr n GLY 28 Ca 0.04 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1ggr n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ggr s GLU 29 N -2.00 2.78 0.31 1.61 0.41 -0.82 -0.38 118.70 120.62 1ggr s GLU 29 Ca 0.00 -0.80 -0.28 0.00 -0.41 0.00 0.00 54.97 53.48 1ggr s GLU 29 Cb 0.00 -2.34 -0.09 0.00 -1.78 0.00 0.00 34.13 29.91 1ggr s GLU 29 CO 0.00 0.39 1.09 0.42 -0.49 0.00 0.00 175.26 176.67 1ggr s ILE 30 N -0.15 3.53 0.10 -1.63 1.01 0.19 -1.50 121.20 122.75 1ggr s ILE 30 Ca -0.03 1.44 0.04 0.00 0.00 0.00 0.00 60.65 62.10 1ggr s ILE 30 Cb -0.14 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1ggr s ILE 30 CO 0.04 0.27 -0.10 -0.69 0.00 0.00 0.00 174.94 174.46 1ggr s VAL 31 N -1.28 0.99 0.27 2.92 1.01 0.18 -4.67 120.40 119.81 1ggr s VAL 31 Ca 0.48 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1ggr s VAL 31 Cb -0.30 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 1ggr s VAL 31 CO 0.38 -0.58 1.20 0.20 0.00 0.00 0.00 175.10 176.30 1ggr s ASN 32 N -2.55 7.06 0.50 3.32 0.02 -1.26 -2.04 114.94 119.99 1ggr s ASN 32 Ca 0.07 2.39 0.28 0.00 -1.02 0.00 0.00 52.86 54.58 1ggr s ASN 32 Cb -0.02 -2.63 1.28 0.00 0.02 0.00 0.00 41.25 39.90 1ggr s ASN 32 CO 0.00 -0.33 1.98 -0.29 0.02 0.00 0.00 177.10 178.48 1ggr h ILE 33 N 3.29 0.47 0.00 0.60 2.10 -1.89 -0.23 117.51 121.85 1ggr h ILE 33 Ca -0.47 -0.74 0.00 0.00 1.08 0.00 0.00 64.86 64.73 1ggr h ILE 33 Cb 1.22 1.51 0.00 0.00 -1.09 0.00 0.00 36.82 38.46 1ggr h ILE 33 CO 0.69 0.14 0.00 -1.84 -1.08 0.00 0.00 178.15 176.06 1ggr n GLU 34 N -3.45 0.19 -0.38 2.19 0.00 -1.26 -2.62 120.64 115.31 1ggr n GLU 34 Ca -0.01 0.32 0.08 0.00 0.00 0.00 0.00 57.16 57.55 1ggr n GLU 34 Cb 0.31 -1.80 0.26 0.00 0.00 0.00 0.00 31.44 30.22 1ggr n GLU 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ggr n ASP 35 N -2.15 3.40 -4.72 -1.84 8.00 -0.10 -4.88 116.55 114.26 1ggr n ASP 35 Ca 0.04 -2.18 -0.40 0.00 0.71 0.00 0.00 54.79 52.96 1ggr n ASP 35 Cb 0.30 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.91 1ggr n ASP 35 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ggr s VAL 36 N -1.52 5.00 0.00 2.53 1.01 -1.08 -4.92 120.40 121.42 1ggr s VAL 36 Ca 0.38 1.45 -0.03 0.00 0.00 0.00 0.00 61.98 63.79 1ggr s VAL 36 Cb 0.22 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.45 1ggr s VAL 36 CO 0.22 0.28 1.92 -0.81 0.00 0.00 0.00 175.10 176.71 1ggr n PRO 37 N 3.57 0.94 -3.54 2.72 -0.04 -1.26 -4.54 135.00 132.85 1ggr n PRO 37 Ca -0.02 -0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 62.92 1ggr n PRO 37 Cb 0.51 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 1ggr n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ggr s ASP 38 N 2.38 0.10 0.30 3.54 -1.08 -1.26 -5.03 116.67 115.62 1ggr s ASP 38 Ca 0.28 0.59 -0.01 0.00 -0.52 0.00 0.00 52.55 52.89 1ggr s ASP 38 Cb 0.13 1.12 0.46 0.00 -1.46 0.00 0.00 42.92 43.18 1ggr s ASP 38 CO 0.00 -0.26 1.96 -0.37 0.52 0.00 0.00 175.17 177.02 1ggr h VAL 39 N 6.20 1.21 -0.41 1.11 -1.51 -1.97 0.21 116.25 121.09 1ggr h VAL 39 Ca -0.17 -0.42 -0.03 0.00 -1.23 0.00 0.00 66.70 64.85 1ggr h VAL 39 Cb 1.13 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.37 1ggr h VAL 39 CO 0.19 0.21 0.13 -0.37 -1.23 0.00 0.00 177.57 176.49 1ggr h VAL 40 N 1.05 1.17 0.12 7.19 -1.51 -1.95 0.26 116.25 122.57 1ggr h VAL 40 Ca 0.28 -0.58 -0.24 0.00 -1.23 0.00 0.00 66.70 64.93 1ggr h VAL 40 Cb -0.08 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1ggr h VAL 40 CO -0.06 0.22 -1.20 -0.26 -1.23 0.00 0.00 177.57 175.04 1ggr h PHE 41 N 0.59 0.45 -0.61 5.19 0.04 -1.78 -1.77 116.94 119.04 1ggr h PHE 41 Ca 0.14 -0.33 -0.00 0.00 2.80 0.00 0.00 57.97 60.58 1ggr h PHE 41 Cb 0.17 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1ggr h PHE 41 CO 0.01 1.47 0.37 0.00 -0.60 0.00 0.00 178.31 179.56 1ggr h ALA 42 N -0.02 1.51 -0.33 2.45 0.00 -0.44 0.12 119.26 122.55 1ggr h ALA 42 Ca -0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ggr h ALA 42 Cb 1.69 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1ggr h ALA 42 CO 0.07 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.14 1ggr n GLU 43 N -4.42 1.91 -3.94 0.00 1.02 0.89 -4.53 120.64 111.57 1ggr n GLU 43 Ca 0.06 -1.39 -0.31 0.00 -0.02 0.00 0.00 57.16 55.49 1ggr n GLU 43 Cb 0.07 -1.36 0.02 0.00 -0.02 0.00 0.00 31.44 30.15 1ggr n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ggr n LYS 44 N 0.62 -5.17 0.17 3.49 5.02 0.43 -4.84 118.16 117.88 1ggr n LYS 44 Ca 0.15 0.57 0.02 0.00 -2.02 0.00 0.00 58.31 57.03 1ggr n LYS 44 Cb 0.36 -5.44 0.35 0.00 -0.02 0.00 0.00 35.03 30.28 1ggr n LYS 44 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ggr h ILE 45 N -1.98 1.26 -0.00 -0.18 1.08 -1.55 -2.63 117.51 113.50 1ggr h ILE 45 Ca -0.58 -1.23 0.00 0.00 -0.39 0.00 0.00 64.86 62.67 1ggr h ILE 45 Cb 1.38 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.75 1ggr h ILE 45 CO 0.68 0.35 -0.37 0.52 -0.69 0.00 0.00 178.15 178.65 1ggr n VAL 46 N -4.12 0.00 0.00 1.67 0.31 -1.25 -5.04 118.33 109.90 1ggr n VAL 46 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1ggr n VAL 46 Cb 0.39 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1ggr n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ggr n GLY 47 N 1.42 0.87 3.45 2.92 0.00 -0.99 -4.48 105.19 108.38 1ggr n GLY 47 Ca 0.09 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 1ggr n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ggr s ASP 48 N -1.77 3.53 0.00 1.61 2.15 -0.85 -4.46 116.67 116.88 1ggr s ASP 48 Ca 0.00 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.10 1ggr s ASP 48 Cb 0.00 -0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.32 1ggr s ASP 48 CO 0.00 0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 1ggr n GLY 49 N 0.07 -0.79 3.36 2.66 0.00 -1.26 0.18 105.19 109.42 1ggr n GLY 49 Ca -0.11 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1ggr n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ggr s ILE 50 N -3.07 0.37 0.24 -0.61 -5.25 -0.28 -4.44 121.20 108.15 1ggr s ILE 50 Ca 0.00 -2.00 0.11 0.00 -0.99 0.00 0.00 60.65 57.77 1ggr s ILE 50 Cb 0.00 -2.49 -0.05 0.00 2.95 0.00 0.00 42.46 42.87 1ggr s ILE 50 CO 0.00 0.00 -0.20 0.00 -1.79 0.00 0.00 174.94 172.95 1ggr s ALA 51 N -3.53 2.52 -0.05 2.27 0.00 -0.86 0.13 121.76 122.23 1ggr s ALA 51 Ca 0.34 -1.76 0.01 0.00 0.00 0.00 0.00 51.96 50.55 1ggr s ALA 51 Cb 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1ggr s ALA 51 CO 0.18 0.27 -0.06 0.42 0.00 0.00 0.00 175.76 176.57 1ggr s ILE 52 N -2.39 0.64 -0.48 0.00 1.01 -0.75 -0.65 121.20 118.58 1ggr s ILE 52 Ca 0.26 -0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.49 1ggr s ILE 52 Cb -0.05 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.80 1ggr s ILE 52 CO 0.12 0.25 0.90 -0.75 0.00 0.00 0.00 174.94 175.46 1ggr s LYS 53 N 0.95 3.45 0.53 2.79 2.36 -0.56 -2.11 119.74 127.14 1ggr s LYS 53 Ca -0.10 -0.02 -0.20 0.00 -2.55 0.00 0.00 55.97 53.10 1ggr s LYS 53 Cb -0.14 -3.96 -0.07 0.00 -1.05 0.00 0.00 37.83 32.61 1ggr s LYS 53 CO 0.00 -1.27 1.10 -1.25 1.55 0.00 0.00 175.35 175.48 1ggr s PRO 54 N 3.70 3.48 0.00 4.03 0.05 -1.26 -1.94 135.00 143.05 1ggr s PRO 54 Ca 0.34 1.53 0.00 0.00 0.05 0.00 0.00 61.00 62.92 1ggr s PRO 54 Cb -0.11 -2.03 0.00 0.00 0.05 0.00 0.00 34.50 32.41 1ggr s PRO 54 CO 0.24 -0.73 0.12 0.25 0.05 0.00 0.00 177.00 176.92 1ggr n THR 55 N -1.22 0.01 -0.65 1.26 -2.24 -0.48 -4.90 114.28 106.07 1ggr n THR 55 Ca 0.11 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1ggr n THR 55 Cb 0.51 1.77 0.00 0.00 -2.10 0.00 0.00 70.33 70.51 1ggr n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggr n GLY 56 N -0.01 3.33 0.23 3.38 0.00 -1.26 -4.99 105.19 105.88 1ggr n GLY 56 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1ggr n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ggr n ASN 57 N 0.00 0.00 -3.55 1.61 0.23 -1.26 -4.56 115.26 107.73 1ggr n ASN 57 Ca 0.00 -1.38 -0.14 0.00 -0.53 0.00 0.00 54.58 52.53 1ggr n ASN 57 Cb 0.00 -0.08 -0.05 0.00 -2.08 0.00 0.00 39.78 37.57 1ggr n ASN 57 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1ggr s LYS 58 N 0.00 1.08 -0.19 -3.83 -2.85 -1.26 -2.19 119.74 110.49 1ggr s LYS 58 Ca 0.00 -0.22 -0.02 0.00 -1.00 0.00 0.00 55.97 54.73 1ggr s LYS 58 Cb 0.00 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 1ggr s LYS 58 CO 0.00 -0.40 -0.11 1.41 0.10 0.00 0.00 175.35 176.35 1ggr s MET 59 N -2.53 3.25 0.48 1.78 1.75 0.53 -4.49 119.30 120.06 1ggr s MET 59 Ca -0.05 -0.70 0.05 0.00 -1.25 0.00 0.00 55.69 53.74 1ggr s MET 59 Cb -0.01 -2.81 -0.02 0.00 2.84 0.00 0.00 34.83 34.84 1ggr s MET 59 CO -0.02 -0.14 0.21 0.14 -0.65 0.00 0.00 175.02 174.55 1ggr s VAL 60 N 1.26 1.84 0.06 10.11 -7.23 0.20 -0.58 120.40 126.05 1ggr s VAL 60 Ca 0.03 -1.71 -0.31 0.00 -1.81 0.00 0.00 61.98 58.19 1ggr s VAL 60 Cb -0.14 -2.54 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 1ggr s VAL 60 CO -0.05 0.00 1.48 0.00 -0.31 0.00 0.00 175.10 176.22 1ggr s ALA 61 N -2.72 3.63 -2.10 1.32 0.00 0.25 -4.57 121.76 117.58 1ggr s ALA 61 Ca 0.31 1.07 0.29 0.00 0.00 0.00 0.00 51.96 53.63 1ggr s ALA 61 Cb 0.02 -3.61 1.32 0.00 0.00 0.00 0.00 23.12 20.84 1ggr s ALA 61 CO 0.18 -0.89 1.90 -0.35 0.00 0.00 0.00 175.76 176.60 1ggr n PRO 62 N 5.00 1.18 -3.68 0.00 -0.04 -1.26 -1.64 135.00 134.55 1ggr n PRO 62 Ca 0.14 -0.48 -0.10 0.00 -0.04 0.00 0.00 63.50 63.02 1ggr n PRO 62 Cb 0.42 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 1ggr n PRO 62 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ggr s VAL 63 N -2.15 0.01 -0.08 0.52 -7.23 -1.26 -1.91 120.40 108.30 1ggr s VAL 63 Ca 0.38 -0.60 -0.28 0.00 -1.81 0.00 0.00 61.98 59.66 1ggr s VAL 63 Cb 0.21 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 1ggr s VAL 63 CO 0.39 -0.04 0.94 -1.81 -0.31 0.00 0.00 175.10 174.27 1ggr s ASP 64 N -2.85 7.21 0.00 4.85 1.01 -1.26 -3.79 116.67 121.84 1ggr s ASP 64 Ca 0.07 1.48 0.00 0.00 0.71 0.00 0.00 52.55 54.81 1ggr s ASP 64 Cb -0.03 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1ggr s ASP 64 CO -0.03 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.62 1ggr n GLY 65 N 3.09 -0.58 3.18 0.21 0.00 -0.51 -0.38 105.19 110.19 1ggr n GLY 65 Ca 0.06 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1ggr n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ggr s THR 66 N -3.22 1.67 0.33 2.61 2.01 -0.06 -0.54 115.64 118.43 1ggr s THR 66 Ca 0.00 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1ggr s THR 66 Cb 0.00 -1.43 -0.10 0.00 0.01 0.00 0.00 72.50 70.98 1ggr s THR 66 CO 0.00 0.47 1.25 -0.63 -0.69 0.00 0.00 174.62 175.02 1ggr s ILE 67 N 0.00 2.92 -0.09 1.82 -1.09 0.14 -2.07 121.20 122.83 1ggr s ILE 67 Ca -0.05 0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 59.18 1ggr s ILE 67 Cb -0.13 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1ggr s ILE 67 CO 0.03 0.20 -0.18 0.61 -1.23 0.00 0.00 174.94 174.37 1ggr n GLY 68 N 0.87 -0.47 2.89 6.18 0.00 0.22 -1.24 105.19 113.64 1ggr n GLY 68 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1ggr n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ggr s LYS 69 N -2.05 0.04 -0.16 1.61 2.36 -1.21 -4.36 119.74 115.97 1ggr s LYS 69 Ca -0.15 0.14 0.00 0.00 -2.55 0.00 0.00 55.97 53.41 1ggr s LYS 69 Cb 0.02 -0.06 -0.00 0.00 -1.05 0.00 0.00 37.83 36.74 1ggr s LYS 69 CO 0.23 -0.06 -0.15 0.42 1.55 0.00 0.00 175.35 177.33 1ggr s ILE 70 N 0.42 2.69 0.50 5.43 1.01 -1.26 -0.72 121.20 129.27 1ggr s ILE 70 Ca -0.03 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.63 1ggr s ILE 70 Cb -0.05 -2.14 -0.06 0.00 0.01 0.00 0.00 42.46 40.22 1ggr s ILE 70 CO -0.01 0.51 1.33 -0.36 0.00 0.00 0.00 174.94 176.41 1ggr s PHE 71 N 0.82 2.46 -0.23 3.97 0.40 -0.62 -4.85 117.98 119.93 1ggr s PHE 71 Ca -0.05 1.38 0.22 0.00 -0.60 0.00 0.00 56.93 57.89 1ggr s PHE 71 Cb -0.15 -3.74 1.16 0.00 0.51 0.00 0.00 43.02 40.80 1ggr s PHE 71 CO -0.00 -2.60 1.69 0.39 0.70 0.00 0.00 175.22 175.40 1ggr n GLU 72 N -0.69 0.15 -0.17 0.44 1.02 -1.26 0.08 120.64 120.22 1ggr n GLU 72 Ca 0.08 0.60 0.12 0.00 -0.02 0.00 0.00 57.16 57.94 1ggr n GLU 72 Cb 0.45 -1.96 0.25 0.00 -0.02 0.00 0.00 31.44 30.16 1ggr n GLU 72 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ggr n THR 73 N -2.28 0.45 -3.97 2.62 -2.24 -1.26 -4.87 114.28 102.73 1ggr n THR 73 Ca -0.01 -0.67 -0.29 0.00 -2.27 0.00 0.00 64.05 60.82 1ggr n THR 73 Cb 0.07 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1ggr n THR 73 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ggr n ASN 74 N 1.26 -2.63 0.00 3.42 5.03 0.11 -3.78 115.26 118.67 1ggr n ASN 74 Ca 0.19 -0.90 0.00 0.00 0.87 0.00 0.00 54.58 54.73 1ggr n ASN 74 Cb 0.55 -3.41 0.00 0.00 -1.02 0.00 0.00 39.78 35.90 1ggr n ASN 74 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ggr n HIS 75 N -4.47 0.00 -3.67 3.10 1.44 -1.26 -4.55 115.22 105.82 1ggr n HIS 75 Ca -0.10 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.47 1ggr n HIS 75 Cb 0.59 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.63 1ggr n HIS 75 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ggr s ALA 76 N -0.11 -1.07 0.20 1.59 0.00 -1.26 -1.81 121.76 119.30 1ggr s ALA 76 Ca 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 1ggr s ALA 76 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1ggr s ALA 76 CO 0.00 -0.39 0.45 -0.59 0.00 0.00 0.00 175.76 175.23 1ggr s PHE 77 N -1.96 0.15 -0.03 0.00 -0.12 0.02 -1.59 117.98 114.45 1ggr s PHE 77 Ca -0.08 -0.51 0.07 0.00 -0.05 0.00 0.00 56.93 56.35 1ggr s PHE 77 Cb -0.02 0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.57 1ggr s PHE 77 CO 0.01 -0.89 -0.23 -1.12 -0.05 0.00 0.00 175.22 172.95 1ggr s SER 78 N -2.94 3.33 0.01 1.98 0.01 0.10 -1.43 113.70 114.76 1ggr s SER 78 Ca 0.15 -0.39 -0.05 0.00 1.31 0.00 0.00 55.95 56.96 1ggr s SER 78 Cb 0.00 -0.51 -0.01 0.00 0.21 0.00 0.00 66.02 65.72 1ggr s SER 78 CO 0.01 0.32 0.09 -0.51 0.41 0.00 0.00 173.24 173.56 1ggr s ILE 79 N -0.62 0.09 -0.11 1.44 2.07 -1.06 0.73 121.20 123.75 1ggr s ILE 79 Ca 0.10 -0.76 0.03 0.00 -1.41 0.00 0.00 60.65 58.61 1ggr s ILE 79 Cb -0.10 -0.38 -0.00 0.00 0.13 0.00 0.00 42.46 42.10 1ggr s ILE 79 CO -0.00 -0.42 -0.21 -0.70 -1.91 0.00 0.00 174.94 171.70 1ggr s GLU 80 N -1.42 3.14 0.74 3.50 2.12 -0.88 -1.34 118.70 124.56 1ggr s GLU 80 Ca -0.15 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.24 1ggr s GLU 80 Cb -0.08 -2.39 0.05 0.00 0.26 0.00 0.00 34.13 31.96 1ggr s GLU 80 CO 0.01 0.19 1.11 -1.54 -0.54 0.00 0.00 175.26 174.48 1ggr s SER 81 N 0.35 5.01 0.34 -1.70 1.04 0.22 -0.89 113.70 118.07 1ggr s SER 81 Ca -0.17 0.90 0.10 0.00 0.48 0.00 0.00 55.95 57.26 1ggr s SER 81 Cb -0.17 -1.57 0.60 0.00 0.10 0.00 0.00 66.02 64.98 1ggr s SER 81 CO 0.08 -1.58 1.77 0.44 0.98 0.00 0.00 173.24 174.93 1ggr h ASP 82 N -0.79 0.11 0.00 7.02 3.32 -1.05 -2.30 116.42 122.73 1ggr h ASP 82 Ca -0.45 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1ggr h ASP 82 Cb 1.29 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1ggr h ASP 82 CO 0.64 0.49 0.00 -1.54 -1.72 0.00 0.00 179.24 177.11 1ggr n SER 83 N -4.06 0.00 -0.05 6.45 3.41 -1.26 -4.84 113.62 113.27 1ggr n SER 83 Ca -0.02 -0.73 -0.01 0.00 -0.26 0.00 0.00 58.87 57.85 1ggr n SER 83 Cb 0.44 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1ggr n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ggr n GLY 84 N 0.01 0.48 3.75 5.00 0.00 -0.87 -5.05 105.19 108.52 1ggr n GLY 84 Ca 0.07 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 1ggr n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggr s VAL 85 N -1.99 5.13 -0.25 1.61 1.01 -1.26 -4.81 120.40 119.84 1ggr s VAL 85 Ca 0.00 0.91 -0.14 0.00 0.00 0.00 0.00 61.98 62.76 1ggr s VAL 85 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1ggr s VAL 85 CO 0.00 0.41 0.31 -1.61 0.00 0.00 0.00 175.10 174.20 1ggr s GLU 86 N 0.10 4.05 0.25 2.72 2.02 -1.26 -0.61 118.70 125.97 1ggr s GLU 86 Ca 0.25 -0.05 0.11 0.00 0.02 0.00 0.00 54.97 55.30 1ggr s GLU 86 Cb -0.16 -3.61 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 1ggr s GLU 86 CO 0.11 -0.15 -0.11 -0.51 0.02 0.00 0.00 175.26 174.62 1ggr s LEU 87 N 1.68 2.88 -0.17 1.80 2.01 -0.45 -1.04 118.68 125.39 1ggr s LEU 87 Ca 0.13 -0.80 -0.04 0.00 0.01 0.00 0.00 54.13 53.43 1ggr s LEU 87 Cb -0.15 -1.44 0.08 0.00 0.01 0.00 0.00 46.19 44.69 1ggr s LEU 87 CO 0.09 0.04 0.18 0.12 1.01 0.00 0.00 176.35 177.79 1ggr s PHE 88 N -2.26 -0.15 -0.33 0.29 5.36 -0.08 -2.56 117.98 118.26 1ggr s PHE 88 Ca 0.29 0.17 -0.12 0.00 -0.96 0.00 0.00 56.93 56.31 1ggr s PHE 88 Cb -0.06 -0.42 -0.01 0.00 -0.34 0.00 0.00 43.02 42.18 1ggr s PHE 88 CO 0.17 -0.52 0.21 0.08 -1.46 0.00 0.00 175.22 173.69 1ggr s VAL 89 N 2.28 5.02 -0.29 3.12 1.01 -0.52 -2.21 120.40 128.81 1ggr s VAL 89 Ca 0.05 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1ggr s VAL 89 Cb -0.15 -3.57 0.08 0.00 0.00 0.00 0.00 36.38 32.74 1ggr s VAL 89 CO -0.10 0.03 -0.01 -2.28 0.00 0.00 0.00 175.10 172.73 1ggr s HIS 90 N 1.68 2.99 0.07 5.22 2.46 -1.05 -0.80 115.29 125.87 1ggr s HIS 90 Ca 0.05 -2.33 -0.31 0.00 0.47 0.00 0.00 55.06 52.95 1ggr s HIS 90 Cb -0.17 -2.16 -0.09 0.00 -0.13 0.00 0.00 32.58 30.03 1ggr s HIS 90 CO 0.09 -0.87 1.72 0.12 -2.47 0.00 0.00 174.74 173.32 1ggr s PHE 91 N 1.18 2.21 0.11 3.88 2.19 -0.75 -3.32 117.98 123.48 1ggr s PHE 91 Ca 0.02 0.16 0.00 0.00 0.33 0.00 0.00 56.93 57.44 1ggr s PHE 91 Cb -0.19 -4.03 0.00 0.00 -1.31 0.00 0.00 43.02 37.49 1ggr s PHE 91 CO -0.09 -4.24 0.00 0.41 1.83 0.00 0.00 175.22 173.13 1ggr n GLY 92 N 4.11 -1.83 3.30 13.12 0.00 -0.31 -4.54 105.19 119.03 1ggr n GLY 92 Ca 0.17 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1ggr n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggr s ILE 93 N -0.98 2.39 -1.45 -0.61 -1.09 0.26 -4.58 121.20 115.15 1ggr s ILE 93 Ca 0.00 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 1ggr s ILE 93 Cb 0.00 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 1ggr s ILE 93 CO 0.00 0.56 0.00 0.47 -1.23 0.00 0.00 174.94 174.74 1ggr n ASP 94 N 3.23 -4.39 0.31 3.58 8.00 -1.26 -4.05 116.55 121.97 1ggr n ASP 94 Ca -0.18 0.23 0.20 0.00 0.71 0.00 0.00 54.79 55.75 1ggr n ASP 94 Cb 0.53 -3.82 0.99 0.00 -0.02 0.00 0.00 41.12 38.79 1ggr n ASP 94 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1ggr h THR 95 N 0.00 0.00 -0.50 -3.53 1.35 -1.81 -2.71 112.91 105.72 1ggr h THR 95 Ca -0.35 -0.22 0.08 0.00 -0.55 0.00 0.00 66.41 65.38 1ggr h THR 95 Cb 1.16 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 68.76 1ggr h THR 95 CO 0.44 0.00 0.34 1.62 -0.25 0.00 0.00 175.52 177.67 1ggr h VAL 96 N 0.00 0.92 -0.00 6.82 3.04 -1.91 -0.80 116.25 124.32 1ggr h VAL 96 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1ggr h VAL 96 Cb 0.22 0.56 -0.00 0.00 -2.01 0.00 0.00 31.29 30.06 1ggr h VAL 96 CO 0.00 0.06 0.07 -0.33 -1.01 0.00 0.00 177.57 176.36 1ggr h GLU 97 N 0.33 0.00 0.00 4.17 4.39 -1.87 -1.22 114.58 120.38 1ggr h GLU 97 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1ggr h GLU 97 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1ggr h GLU 97 CO -0.05 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.08 1ggr n LEU 98 N -3.05 0.00 -4.00 1.33 4.32 -0.31 -4.92 117.00 110.37 1ggr n LEU 98 Ca -0.03 0.16 -0.28 0.00 -0.02 0.00 0.00 56.01 55.84 1ggr n LEU 98 Cb 0.14 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 41.76 1ggr n LEU 98 CO 0.19 -0.01 -0.13 0.29 -1.22 0.00 0.00 177.39 176.51 1ggr n LYS 99 N -1.16 -3.66 0.00 3.23 5.02 -0.46 -2.32 118.16 118.80 1ggr n LYS 99 Ca 0.17 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1ggr n LYS 99 Cb 0.17 -4.84 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 1ggr n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ggr n GLY 100 N -1.77 2.01 3.67 0.72 0.00 -1.25 -4.97 105.19 103.60 1ggr n GLY 100 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1ggr n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ggr s GLU 101 N -0.54 4.15 0.00 1.61 2.12 -0.98 -2.45 118.70 122.61 1ggr s GLU 101 Ca 0.00 2.50 0.00 0.00 0.36 0.00 0.00 54.97 57.83 1ggr s GLU 101 Cb 0.00 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.40 1ggr s GLU 101 CO 0.00 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.23 1ggr n GLY 102 N 4.37 0.41 3.52 -1.50 0.00 -1.26 -4.94 105.19 105.78 1ggr n GLY 102 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1ggr n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ggr s PHE 103 N -2.15 2.56 -0.14 1.61 0.08 -1.03 -0.12 117.98 118.80 1ggr s PHE 103 Ca 0.00 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.76 1ggr s PHE 103 Cb 0.00 -1.30 0.06 0.00 -0.57 0.00 0.00 43.02 41.21 1ggr s PHE 103 CO 0.00 0.45 0.13 0.15 -0.10 0.00 0.00 175.22 175.86 1ggr s LYS 104 N -2.49 0.07 0.01 0.44 3.01 -0.02 -4.97 119.74 115.78 1ggr s LYS 104 Ca 0.21 0.18 -0.30 0.00 -1.01 0.00 0.00 55.97 55.05 1ggr s LYS 104 Cb -0.10 -1.18 -0.07 0.00 -1.01 0.00 0.00 37.83 35.48 1ggr s LYS 104 CO 0.12 -0.54 1.57 0.50 0.51 0.00 0.00 175.35 177.51 1ggr s ARG 105 N 2.22 4.22 -0.16 1.68 3.52 -1.26 -1.58 118.95 127.58 1ggr s ARG 105 Ca 0.04 2.17 0.07 0.00 -0.13 0.00 0.00 55.73 57.88 1ggr s ARG 105 Cb -0.15 -3.70 -0.14 0.00 -1.56 0.00 0.00 34.95 29.40 1ggr s ARG 105 CO -0.08 -0.72 -0.06 -0.89 -0.81 0.00 0.00 175.30 172.74 1ggr n ILE 106 N 4.93 0.99 -2.77 4.11 2.08 0.17 -4.95 119.36 123.92 1ggr n ILE 106 Ca 0.15 -0.49 -0.22 0.00 0.56 0.00 0.00 62.75 62.75 1ggr n ILE 106 Cb 0.42 -0.88 0.09 0.00 -0.75 0.00 0.00 39.64 38.52 1ggr n ILE 106 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ggr s ALA 107 N -2.35 4.11 0.15 -1.39 0.00 -0.53 -4.98 121.76 116.77 1ggr s ALA 107 Ca -0.15 -1.91 0.10 0.00 0.00 0.00 0.00 51.96 50.00 1ggr s ALA 107 Cb 0.05 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1ggr s ALA 107 CO 0.49 -1.23 -0.22 -1.21 0.00 0.00 0.00 175.76 173.59 1ggr s GLU 108 N -4.96 1.61 0.33 0.00 2.02 -1.26 -5.04 118.70 111.40 1ggr s GLU 108 Ca 0.65 -1.34 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 1ggr s GLU 108 Cb -0.05 -1.98 -0.11 0.00 0.10 0.00 0.00 34.13 32.09 1ggr s GLU 108 CO 0.42 0.44 1.54 -1.21 0.02 0.00 0.00 175.26 176.47 1ggr s GLU 109 N -2.32 4.13 0.00 1.61 2.02 -1.26 -1.46 118.70 121.42 1ggr s GLU 109 Ca 0.18 2.55 0.00 0.00 0.02 0.00 0.00 54.97 57.72 1ggr s GLU 109 Cb -0.10 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1ggr s GLU 109 CO 0.09 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.21 1ggr n GLY 110 N 1.45 1.20 3.76 -1.39 0.00 -0.37 -5.01 105.19 104.83 1ggr n GLY 110 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1ggr n GLY 110 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ggr s GLN 111 N -0.47 4.30 -0.01 1.61 0.74 -0.54 -4.59 119.66 120.71 1ggr s GLN 111 Ca 0.00 2.28 -0.24 0.00 0.05 0.00 0.00 55.36 57.45 1ggr s GLN 111 Cb 0.00 -3.08 -0.05 0.00 1.10 0.00 0.00 33.01 30.99 1ggr s GLN 111 CO 0.00 -0.31 0.71 0.50 -0.55 0.00 0.00 175.29 175.64 1ggr s ARG 112 N -1.26 4.44 0.06 1.67 3.52 -1.26 0.25 118.95 126.36 1ggr s ARG 112 Ca 0.53 0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 57.05 1ggr s ARG 112 Cb -0.41 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 1ggr s ARG 112 CO 0.50 0.21 -0.02 0.14 -0.81 0.00 0.00 175.30 175.31 1ggr s VAL 113 N 0.28 0.22 0.21 7.11 -7.23 0.29 -4.95 120.40 116.33 1ggr s VAL 113 Ca 0.37 -1.82 0.08 0.00 -1.81 0.00 0.00 61.98 58.80 1ggr s VAL 113 Cb -0.19 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1ggr s VAL 113 CO 0.20 -0.96 0.02 -0.54 -0.31 0.00 0.00 175.10 173.51 1ggr s LYS 114 N -3.93 2.44 0.17 4.82 1.02 -1.26 -1.43 119.74 121.58 1ggr s LYS 114 Ca 0.08 -1.18 -0.32 0.00 0.02 0.00 0.00 55.97 54.57 1ggr s LYS 114 Cb 0.08 -2.33 -0.16 0.00 -0.52 0.00 0.00 37.83 34.89 1ggr s LYS 114 CO -0.09 0.42 1.00 0.28 -0.92 0.00 0.00 175.35 176.04 1ggr n VAL 115 N -0.46 1.15 0.00 3.17 0.31 -1.25 -1.39 118.33 119.86 1ggr n VAL 115 Ca -0.09 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1ggr n VAL 115 Cb 0.56 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1ggr n VAL 115 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ggr n GLY 116 N 1.83 2.10 3.75 2.92 0.00 -0.65 -4.93 105.19 110.22 1ggr n GLY 116 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1ggr n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ggr s ASP 117 N -2.47 6.52 0.09 1.61 1.01 -0.49 -4.57 116.67 118.38 1ggr s ASP 117 Ca 0.00 2.83 -0.30 0.00 0.71 0.00 0.00 52.55 55.79 1ggr s ASP 117 Cb 0.00 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 1ggr s ASP 117 CO 0.00 -0.78 1.09 -0.89 0.21 0.00 0.00 175.17 174.79 1ggr s THR 118 N -0.30 4.24 -0.20 -1.27 2.01 -1.26 -0.58 115.64 118.28 1ggr s THR 118 Ca 0.59 1.73 -0.08 0.00 0.31 0.00 0.00 61.69 64.23 1ggr s THR 118 Cb -0.44 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 67.87 1ggr s THR 118 CO 0.49 0.20 -0.24 0.52 -0.69 0.00 0.00 174.62 174.90 1ggr n VAL 119 N 3.29 1.08 -3.78 3.82 0.31 0.25 -4.10 118.33 119.20 1ggr n VAL 119 Ca 0.05 -0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 63.96 1ggr n VAL 119 Cb 0.48 -1.67 -0.10 0.00 -0.91 0.00 0.00 33.84 31.63 1ggr n VAL 119 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ggr s ILE 120 N -2.36 0.02 0.06 2.52 1.01 -0.96 0.44 121.20 121.94 1ggr s ILE 120 Ca -0.27 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.25 1ggr s ILE 120 Cb 0.10 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 1ggr s ILE 120 CO 0.36 -0.10 -0.09 -1.61 0.00 0.00 0.00 174.94 173.50 1ggr s GLU 121 N -0.37 2.30 0.18 2.79 2.02 -0.62 -0.35 118.70 124.66 1ggr s GLU 121 Ca -0.05 -0.90 0.03 0.00 0.02 0.00 0.00 54.97 54.07 1ggr s GLU 121 Cb -0.03 -2.38 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 1ggr s GLU 121 CO 0.02 0.55 -0.03 -0.59 0.02 0.00 0.00 175.26 175.23 1ggr s PHE 122 N -1.11 1.33 -0.60 1.61 -0.12 -0.93 -0.85 117.98 117.31 1ggr s PHE 122 Ca 0.19 -0.92 -0.15 0.00 -0.05 0.00 0.00 56.93 56.00 1ggr s PHE 122 Cb -0.11 -0.74 0.15 0.00 -0.63 0.00 0.00 43.02 41.68 1ggr s PHE 122 CO 0.11 -0.08 0.55 0.34 -0.05 0.00 0.00 175.22 176.08 1ggr s ASP 123 N -3.21 6.28 0.08 1.98 -1.08 0.83 -4.68 116.67 116.87 1ggr s ASP 123 Ca 0.23 -1.99 -0.30 0.00 -0.52 0.00 0.00 52.55 49.97 1ggr s ASP 123 Cb 0.05 -2.20 -0.16 0.00 -1.46 0.00 0.00 42.92 39.15 1ggr s ASP 123 CO 0.04 -0.79 1.66 0.25 0.52 0.00 0.00 175.17 176.85 1ggr h LEU 124 N 8.62 -0.59 -0.61 -1.34 5.85 -1.89 -2.09 115.31 123.27 1ggr h LEU 124 Ca -0.21 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1ggr h LEU 124 Cb 1.09 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 1ggr h LEU 124 CO 0.97 -0.39 0.33 -0.65 -0.34 0.00 0.00 178.44 178.35 1ggr h PRO 125 N -0.63 0.59 -0.06 5.25 0.11 -1.94 0.56 132.00 135.89 1ggr h PRO 125 Ca -0.05 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.04 1ggr h PRO 125 Cb 0.50 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 1ggr h PRO 125 CO 0.07 0.39 -0.08 1.25 -0.21 0.00 0.00 178.00 179.42 1ggr h LEU 126 N 0.61 -0.24 -1.06 2.35 5.85 -1.97 -1.25 115.31 119.60 1ggr h LEU 126 Ca 0.27 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 1ggr h LEU 126 Cb 0.17 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1ggr h LEU 126 CO -0.17 -0.11 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.34 1ggr h LEU 127 N -0.11 0.14 -0.87 2.25 3.38 -0.63 0.22 115.31 119.69 1ggr h LEU 127 Ca 0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1ggr h LEU 127 Cb 0.19 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ggr h LEU 127 CO -0.13 0.53 0.02 -0.33 0.09 0.00 0.00 178.44 178.63 1ggr h GLU 128 N 0.12 0.86 -0.03 1.13 5.08 0.56 0.31 114.58 122.61 1ggr h GLU 128 Ca 0.01 -0.23 -0.20 0.00 -1.00 0.00 0.00 59.36 57.94 1ggr h GLU 128 Cb 0.76 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.92 1ggr h GLU 128 CO 0.06 0.84 -0.76 1.49 -1.00 0.00 0.00 179.01 179.64 1ggr h GLU 129 N 0.80 0.57 0.00 2.33 4.81 -0.47 -3.38 114.58 119.23 1ggr h GLU 129 Ca 0.16 -0.57 -0.31 0.00 -0.13 0.00 0.00 59.36 58.51 1ggr h GLU 129 Cb 0.45 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 1ggr h GLU 129 CO 0.02 1.19 -1.99 1.63 -0.73 0.00 0.00 179.01 179.13 1ggr n LYS 130 N -4.07 0.66 -2.70 1.92 5.02 0.70 -4.96 118.16 114.73 1ggr n LYS 130 Ca -0.10 0.14 -0.38 0.00 -2.02 0.00 0.00 58.31 55.95 1ggr n LYS 130 Cb 0.74 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 34.03 1ggr n LYS 130 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ggr s ALA 131 N -2.61 3.25 0.33 7.82 0.00 0.11 -4.92 121.76 125.74 1ggr s ALA 131 Ca -0.07 0.62 0.05 0.00 0.00 0.00 0.00 51.96 52.57 1ggr s ALA 131 Cb 0.07 -3.22 0.69 0.00 0.00 0.00 0.00 23.12 20.66 1ggr s ALA 131 CO 0.83 0.08 1.89 -0.22 0.00 0.00 0.00 175.76 178.34 1ggr h LYS 132 N 3.40 0.81 -1.81 0.00 1.63 -1.86 -3.43 116.57 115.31 1ggr h LYS 132 Ca -0.47 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.29 1ggr h LYS 132 Cb 1.20 -0.18 -0.22 0.00 -0.60 0.00 0.00 32.23 32.42 1ggr h LYS 132 CO 0.66 0.54 0.31 0.45 -3.45 0.00 0.00 179.45 177.95 1ggr s SER 133 N -5.91 -0.58 0.00 4.20 0.15 -1.26 -4.98 113.70 105.33 1ggr s SER 133 Ca -0.11 0.94 0.25 0.00 0.70 0.00 0.00 55.95 57.74 1ggr s SER 133 Cb 0.21 0.89 0.51 0.00 -1.71 0.00 0.00 66.02 65.92 1ggr s SER 133 CO 0.79 -0.32 1.44 0.35 1.20 0.00 0.00 173.24 176.70 1ggr n THR 134 N 1.82 0.00 -1.68 6.45 -2.24 -1.26 -0.58 114.28 116.79 1ggr n THR 134 Ca -0.14 -0.37 -0.45 0.00 -2.27 0.00 0.00 64.05 60.82 1ggr n THR 134 Cb 0.56 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.83 1ggr n THR 134 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ggr n LEU 135 N 0.73 3.31 -4.02 3.22 4.77 -1.26 -3.59 117.00 120.17 1ggr n LEU 135 Ca 0.15 1.08 -0.32 0.00 -0.03 0.00 0.00 56.01 56.90 1ggr n LEU 135 Cb 0.49 -1.46 -0.14 0.00 -2.33 0.00 0.00 43.42 39.98 1ggr n LEU 135 CO 0.17 -0.19 -0.25 -0.89 -1.33 0.00 0.00 177.39 174.89 1ggr s THR 136 N 0.88 2.55 0.40 -5.08 2.01 -0.90 -1.17 115.64 114.33 1ggr s THR 136 Ca 0.77 -2.59 -0.26 0.00 0.31 0.00 0.00 61.69 59.92 1ggr s THR 136 Cb -0.64 -2.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.97 1ggr s THR 136 CO 0.38 -0.68 1.27 -2.84 -0.69 0.00 0.00 174.62 172.06 1ggr s PRO 137 N 0.58 4.00 -0.28 4.92 0.02 -1.21 -1.80 135.00 141.22 1ggr s PRO 137 Ca 0.12 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.24 1ggr s PRO 137 Cb -0.21 -2.75 0.08 0.00 0.02 0.00 0.00 34.50 31.64 1ggr s PRO 137 CO -0.05 -0.44 0.01 0.14 -0.33 0.00 0.00 177.00 176.33 1ggr s VAL 138 N -1.29 1.56 0.22 3.83 -7.23 0.34 -2.51 120.40 115.32 1ggr s VAL 138 Ca 0.57 -1.57 0.10 0.00 -1.81 0.00 0.00 61.98 59.26 1ggr s VAL 138 Cb -0.36 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 1ggr s VAL 138 CO 0.47 -0.39 -0.18 0.68 -0.31 0.00 0.00 175.10 175.37 1ggr s VAL 139 N 1.32 2.06 -0.22 1.32 -7.23 -0.94 -1.13 120.40 115.58 1ggr s VAL 139 Ca 0.03 -2.22 -0.13 0.00 -1.81 0.00 0.00 61.98 57.85 1ggr s VAL 139 Cb -0.18 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 1ggr s VAL 139 CO -0.12 -0.45 0.26 -0.63 -0.31 0.00 0.00 175.10 173.86 1ggr s ILE 140 N -2.57 5.29 -2.07 -0.62 1.09 0.13 -0.90 121.20 121.55 1ggr s ILE 140 Ca 0.24 0.41 0.23 0.00 -1.10 0.00 0.00 60.65 60.43 1ggr s ILE 140 Cb -0.04 -3.60 0.05 0.00 -1.06 0.00 0.00 42.46 37.82 1ggr s ILE 140 CO 0.10 0.31 1.18 -1.54 -0.10 0.00 0.00 174.94 174.89 1ggr n SER 141 N 4.32 1.94 -1.51 3.58 3.41 -0.21 -2.01 113.62 123.15 1ggr n SER 141 Ca -0.12 -1.46 0.08 0.00 -0.26 0.00 0.00 58.87 57.11 1ggr n SER 141 Cb 0.52 0.39 0.33 0.00 -0.26 0.00 0.00 64.21 65.19 1ggr n SER 141 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ggr n ASN 142 N -0.02 4.46 -0.23 4.04 4.05 -1.26 -4.84 115.26 121.47 1ggr n ASN 142 Ca 0.10 -2.44 0.13 0.00 0.45 0.00 0.00 54.58 52.82 1ggr n ASN 142 Cb 0.46 -0.56 0.25 0.00 1.23 0.00 0.00 39.78 41.16 1ggr n ASN 142 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1ggr n MET 143 N 0.99 -0.05 0.05 1.20 2.81 -1.26 0.13 117.12 120.99 1ggr n MET 143 Ca 0.24 1.01 0.06 0.00 -1.81 0.00 0.00 57.70 57.20 1ggr n MET 143 Cb 0.85 -1.65 0.28 0.00 -0.71 0.00 0.00 33.22 31.98 1ggr n MET 143 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ggr n ASP 144 N -4.84 0.22 -1.07 7.83 8.00 -1.26 -2.04 116.55 123.39 1ggr n ASP 144 Ca 0.19 0.58 0.08 0.00 0.71 0.00 0.00 54.79 56.35 1ggr n ASP 144 Cb 0.62 -0.62 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 1ggr n ASP 144 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ggr n GLU 145 N -1.77 3.09 -5.21 -1.24 1.02 0.35 -4.97 120.64 111.92 1ggr n GLU 145 Ca 0.01 -2.51 -0.30 0.00 -0.02 0.00 0.00 57.16 54.33 1ggr n GLU 145 Cb 0.09 -1.58 -0.16 0.00 -0.02 0.00 0.00 31.44 29.77 1ggr n GLU 145 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1ggr s ILE 146 N -1.49 2.03 -0.07 -3.67 -4.36 -0.87 -4.94 121.20 107.84 1ggr s ILE 146 Ca 0.38 -1.15 -0.19 0.00 -0.26 0.00 0.00 60.65 59.43 1ggr s ILE 146 Cb 0.23 -1.70 -0.15 0.00 1.25 0.00 0.00 42.46 42.10 1ggr s ILE 146 CO 0.21 0.53 0.75 0.50 0.24 0.00 0.00 174.94 177.16 1ggr h LYS 147 N 5.36 -0.17 -3.18 0.37 1.63 -1.60 -3.47 116.57 115.51 1ggr h LYS 147 Ca -0.43 0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.24 1ggr h LYS 147 Cb 1.13 0.04 -0.23 0.00 -0.60 0.00 0.00 32.23 32.57 1ggr h LYS 147 CO 0.46 0.26 -0.39 -2.00 -3.45 0.00 0.00 179.45 174.34 1ggr s GLU 148 N -3.06 0.46 -0.27 1.90 2.12 -1.19 -4.93 118.70 113.73 1ggr s GLU 148 Ca -0.12 0.00 -0.01 0.00 0.36 0.00 0.00 54.97 55.20 1ggr s GLU 148 Cb -0.00 0.21 0.04 0.00 0.26 0.00 0.00 34.13 34.64 1ggr s GLU 148 CO 0.44 -0.10 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.84 1ggr s LEU 149 N -0.70 3.51 -0.32 2.70 0.20 -1.26 -0.93 118.68 121.89 1ggr s LEU 149 Ca -0.08 -1.11 -0.07 0.00 0.69 0.00 0.00 54.13 53.57 1ggr s LEU 149 Cb -0.04 -1.67 0.03 0.00 -0.43 0.00 0.00 46.19 44.07 1ggr s LEU 149 CO 0.02 -0.19 0.09 -0.63 -0.29 0.00 0.00 176.35 175.35 1ggr s ILE 150 N 1.27 3.87 -0.05 6.68 1.01 -0.28 -5.00 121.20 128.69 1ggr s ILE 150 Ca -0.03 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.44 1ggr s ILE 150 Cb -0.18 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 1ggr s ILE 150 CO -0.03 -0.06 0.77 -0.54 0.00 0.00 0.00 174.94 175.08 1ggr s LYS 151 N 1.45 4.47 0.63 2.79 1.02 -1.26 -1.63 119.74 127.20 1ggr s LYS 151 Ca 0.00 1.01 0.03 0.00 0.02 0.00 0.00 55.97 57.03 1ggr s LYS 151 Cb -0.18 -3.45 0.09 0.00 -0.52 0.00 0.00 37.83 33.76 1ggr s LYS 151 CO 0.03 0.03 0.87 -0.51 -0.92 0.00 0.00 175.35 174.85 1ggr s LEU 152 N 0.87 3.11 0.16 3.17 1.43 -0.50 -5.01 118.68 121.91 1ggr s LEU 152 Ca 0.41 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 1ggr s LEU 152 Cb -0.19 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1ggr s LEU 152 CO 0.20 -1.52 -0.10 -0.44 0.23 0.00 0.00 176.35 174.72 1ggr s SER 153 N -4.63 1.86 0.00 2.29 0.01 -1.26 -4.96 113.70 107.01 1ggr s SER 153 Ca 0.63 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1ggr s SER 153 Cb -0.07 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1ggr s SER 153 CO 0.41 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1ggr n GLY 154 N -0.23 -1.67 3.86 3.44 0.00 -1.26 -4.93 105.19 104.39 1ggr n GLY 154 Ca -0.10 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.57 1ggr n GLY 154 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ggr s SER 155 N -4.00 6.68 0.14 1.61 0.01 -1.26 0.56 113.70 117.44 1ggr s SER 155 Ca 0.00 0.81 0.04 0.00 1.31 0.00 0.00 55.95 58.11 1ggr s SER 155 Cb 0.00 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1ggr s SER 155 CO 0.00 0.28 -0.10 0.68 0.41 0.00 0.00 173.24 174.51 1ggr s VAL 156 N -1.20 1.14 -0.13 3.43 -7.23 0.49 -4.95 120.40 111.94 1ggr s VAL 156 Ca 0.26 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1ggr s VAL 156 Cb -0.15 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 34.99 1ggr s VAL 156 CO 0.14 -0.74 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.12 1ggr s THR 157 N -3.29 1.76 -0.27 5.32 2.01 -1.26 -2.26 115.64 117.65 1ggr s THR 157 Ca 0.16 -0.78 -0.38 0.00 0.31 0.00 0.00 61.69 60.99 1ggr s THR 157 Cb 0.02 -1.59 -0.17 0.00 0.01 0.00 0.00 72.50 70.77 1ggr s THR 157 CO 0.00 0.49 1.21 0.55 -0.69 0.00 0.00 174.62 176.19 1ggr n VAL 158 N 4.32 0.00 -2.04 3.82 3.14 -1.26 -1.02 118.33 125.28 1ggr n VAL 158 Ca -0.19 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 60.99 1ggr n VAL 158 Cb 0.51 -0.27 -0.04 0.00 -1.06 0.00 0.00 33.84 32.97 1ggr n VAL 158 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ggr n GLY 159 N 2.66 0.53 1.82 7.55 0.00 0.39 -4.75 105.19 113.41 1ggr n GLY 159 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ggr n GLY 159 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ggr n GLU 160 N -2.70 0.00 -2.93 1.61 4.07 -0.19 -4.71 120.64 115.78 1ggr n GLU 160 Ca -0.22 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.47 1ggr n GLU 160 Cb 0.67 -0.09 -0.04 0.00 -0.06 0.00 0.00 31.44 31.91 1ggr n GLU 160 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1ggr s THR 161 N -2.00 4.90 0.40 6.31 2.01 -0.85 -4.84 115.64 121.57 1ggr s THR 161 Ca 0.00 1.54 -0.27 0.00 0.31 0.00 0.00 61.69 63.27 1ggr s THR 161 Cb 0.00 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 1ggr s THR 161 CO 0.00 0.03 1.40 -2.84 -0.69 0.00 0.00 174.62 172.52 1ggr s PRO 162 N 2.22 3.97 -0.03 4.92 0.02 -1.26 -0.39 135.00 144.45 1ggr s PRO 162 Ca 0.36 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.80 1ggr s PRO 162 Cb -0.16 -2.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.48 1ggr s PRO 162 CO 0.11 -0.57 0.03 1.33 -0.33 0.00 0.00 177.00 177.56 1ggr n VAL 163 N 0.21 0.19 -3.96 3.83 0.24 0.16 -4.77 118.33 114.22 1ggr n VAL 163 Ca 0.03 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.34 62.10 1ggr n VAL 163 Cb 0.41 -0.64 -0.11 0.00 -1.47 0.00 0.00 33.84 32.04 1ggr n VAL 163 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ggr s ILE 164 N -2.12 0.11 -0.07 1.34 1.01 -1.21 -1.41 121.20 118.86 1ggr s ILE 164 Ca -0.02 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1ggr s ILE 164 Cb 0.01 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.07 1ggr s ILE 164 CO 0.14 -0.52 -0.16 -0.13 0.00 0.00 0.00 174.94 174.27 1ggr s ARG 165 N -1.69 2.10 0.14 2.79 0.52 -0.65 -0.75 118.95 121.41 1ggr s ARG 165 Ca -0.14 -0.58 0.07 0.00 -0.52 0.00 0.00 55.73 54.56 1ggr s ARG 165 Cb -0.08 -1.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 1ggr s ARG 165 CO -0.01 0.10 -0.15 0.96 0.02 0.00 0.00 175.30 176.22 1ggr s ILE 166 N 0.48 1.46 0.19 1.52 -4.36 0.14 -1.13 121.20 119.50 1ggr s ILE 166 Ca -0.14 -1.83 0.11 0.00 -0.26 0.00 0.00 60.65 58.53 1ggr s ILE 166 Cb -0.16 -1.67 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 1ggr s ILE 166 CO 0.05 -0.43 -0.23 -0.75 0.24 0.00 0.00 174.94 173.81 1ggr s LYS 167 N -2.86 1.48 0.00 0.37 2.20 -0.11 0.16 119.74 120.98 1ggr s LYS 167 Ca 0.12 -1.50 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 1ggr s LYS 167 Cb -0.04 -1.77 0.00 0.00 -1.51 0.00 0.00 37.83 34.51 1ggr s LYS 167 CO 0.04 0.38 0.00 1.17 -0.36 0.00 0.00 175.35 176.58