#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s s ILE 2 N 0.00 1.17 0.22 2.02 -1.09 0.05 -4.90 121.20 118.67 2x9s s ILE 2 Ca 0.00 -0.56 -0.00 0.00 -2.23 0.00 0.00 60.65 57.86 2x9s s ILE 2 Cb 0.00 -1.02 -0.04 0.00 -1.58 0.00 0.00 42.46 39.81 2x9s s ILE 2 CO 0.00 0.35 0.11 0.00 -1.23 0.00 0.00 174.94 174.17 2x9s s GLN 3 N 0.20 1.29 0.22 2.79 -2.07 -1.26 0.14 119.66 120.96 2x9s s GLN 3 Ca -0.05 -1.68 -0.32 0.00 -1.82 0.00 0.00 55.36 51.49 2x9s s GLN 3 Cb -0.11 0.03 -0.12 0.00 -1.09 0.00 0.00 33.01 31.72 2x9s s GLN 3 CO 0.02 -0.34 1.69 -1.25 -1.32 0.00 0.00 175.29 174.08 2x9s s PRO 4 N -4.10 4.13 0.00 9.60 0.04 -1.26 -0.81 135.00 142.59 2x9s s PRO 4 Ca 0.38 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.01 2x9s s PRO 4 Cb 0.07 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2x9s s PRO 4 CO 0.12 -0.72 0.00 0.94 0.04 0.00 0.00 177.00 177.38 2x9s n GLN 5 N 3.62 0.00 -2.08 4.56 -0.06 -0.47 -4.99 117.38 117.96 2x9s n GLN 5 Ca 0.14 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.77 2x9s n GLN 5 Cb 0.36 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.55 2x9s n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2x9s s THR 6 N -2.31 2.73 -0.16 1.69 2.01 0.01 -4.73 115.64 114.88 2x9s s THR 6 Ca 0.00 0.54 -0.06 0.00 0.31 0.00 0.00 61.69 62.48 2x9s s THR 6 Cb 0.00 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2x9s s THR 6 CO 0.00 -0.01 0.06 -0.31 -0.69 0.00 0.00 174.62 173.67 2x9s s TYR 7 N -1.47 3.29 0.03 4.92 1.51 -1.26 -0.74 117.35 123.63 2x9s s TYR 7 Ca 0.67 0.16 0.09 0.00 -1.01 0.00 0.00 57.07 56.98 2x9s s TYR 7 Cb -0.33 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 2x9s s TYR 7 CO 0.39 0.30 -0.25 -0.51 -1.11 0.00 0.00 175.55 174.37 2x9s s LEU 8 N -0.07 2.22 -0.03 -1.29 2.01 0.38 -4.79 118.68 117.11 2x9s s LEU 8 Ca 0.07 -0.54 -0.23 0.00 0.01 0.00 0.00 54.13 53.44 2x9s s LEU 8 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 46.19 44.70 2x9s s LEU 8 CO 0.01 0.27 0.67 -0.70 1.01 0.00 0.00 176.35 177.61 2x9s s GLU 9 N -1.13 4.41 -0.04 1.70 2.56 -0.90 -1.62 118.70 123.68 2x9s s GLU 9 Ca 0.12 0.85 -0.24 0.00 0.00 0.00 0.00 54.97 55.70 2x9s s GLU 9 Cb -0.10 -3.40 -0.04 0.00 2.00 0.00 0.00 34.13 32.58 2x9s s GLU 9 CO 0.02 0.19 0.72 0.14 -0.56 0.00 0.00 175.26 175.77 2x9s s VAL 10 N 0.38 4.97 -0.85 3.70 -7.23 -1.08 -1.13 120.40 119.16 2x9s s VAL 10 Ca 0.35 1.50 0.01 0.00 -1.81 0.00 0.00 61.98 62.03 2x9s s VAL 10 Cb -0.18 -4.06 0.27 0.00 0.56 0.00 0.00 36.38 32.96 2x9s s VAL 10 CO 0.18 0.28 1.02 0.00 -0.31 0.00 0.00 175.10 176.27 2x9s n ALA 11 N 3.54 4.42 0.00 1.32 0.00 0.25 -4.89 120.51 125.15 2x9s n ALA 11 Ca -0.01 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.67 2x9s n ALA 11 Cb 0.51 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2x9s n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2x9s n ASP 12 N 1.30 0.00 -0.86 0.00 3.85 -1.26 -3.22 116.55 116.36 2x9s n ASP 12 Ca 0.27 0.00 0.03 0.00 -0.71 0.00 0.00 54.79 54.37 2x9s n ASP 12 Cb 0.37 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 40.27 2x9s n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 2x9s n ASN 13 N 0.00 2.30 0.00 -1.12 0.23 -1.25 -4.39 115.26 111.03 2x9s n ASN 13 Ca 0.00 -2.24 0.00 0.00 -0.53 0.00 0.00 54.58 51.81 2x9s n ASN 13 Cb 0.00 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.21 2x9s n ASN 13 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2x9s n THR 14 N 0.20 0.00 0.00 5.53 -2.24 -1.26 -4.67 114.28 111.84 2x9s n THR 14 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2x9s n THR 14 Cb 0.49 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 2x9s n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x9s n GLY 15 N -0.63 3.09 3.79 3.38 0.00 -1.26 -2.69 105.19 110.87 2x9s n GLY 15 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2x9s n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9s s ALA 16 N -1.42 2.69 -0.02 4.61 0.00 -1.26 -0.88 121.76 125.47 2x9s s ALA 16 Ca 0.00 0.46 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 2x9s s ALA 16 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 2x9s s ALA 16 CO 0.00 -0.88 -0.02 0.54 0.00 0.00 0.00 175.76 175.40 2x9s n ARG 17 N -2.01 0.05 -3.75 0.00 5.12 0.74 -4.75 116.66 112.06 2x9s n ARG 17 Ca 0.09 0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.91 2x9s n ARG 17 Cb 0.52 -0.86 -0.12 0.00 -1.16 0.00 0.00 32.46 30.84 2x9s n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2x9s s LYS 18 N -2.05 0.27 0.21 5.56 1.02 -0.64 -2.62 119.74 121.49 2x9s s LYS 18 Ca -0.03 0.48 0.11 0.00 0.02 0.00 0.00 55.97 56.55 2x9s s LYS 18 Cb 0.01 0.01 -0.05 0.00 -0.52 0.00 0.00 37.83 37.29 2x9s s LYS 18 CO 0.05 -0.10 -0.22 0.96 -0.92 0.00 0.00 175.35 175.12 2x9s s ILE 19 N 0.75 2.25 -0.13 2.17 -4.36 -0.64 -0.21 121.20 121.04 2x9s s ILE 19 Ca -0.05 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.25 2x9s s ILE 19 Cb -0.06 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.53 2x9s s ILE 19 CO -0.05 -0.24 -0.17 -0.32 0.24 0.00 0.00 174.94 174.40 2x9s s MET 20 N -2.93 3.24 0.26 0.37 -2.45 0.06 -0.47 119.30 117.38 2x9s s MET 20 Ca 0.22 -0.76 -0.30 0.00 -1.25 0.00 0.00 55.69 53.60 2x9s s MET 20 Cb -0.07 -2.54 -0.11 0.00 1.25 0.00 0.00 34.83 33.37 2x9s s MET 20 CO 0.10 0.14 1.55 0.00 1.05 0.00 0.00 175.02 177.87 2x9s n ILE 22 N 2.48 0.96 -3.60 0.00 2.08 0.12 -1.37 119.36 120.03 2x9s n ILE 22 Ca 0.09 -0.55 -0.08 0.00 0.56 0.00 0.00 62.75 62.77 2x9s n ILE 22 Cb 0.38 -0.72 -0.05 0.00 -0.75 0.00 0.00 39.64 38.51 2x9s n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2x9s s ARG 23 N -2.34 0.42 -0.23 0.38 3.52 -1.14 -4.76 118.95 114.80 2x9s s ARG 23 Ca -0.10 0.08 -0.10 0.00 -0.13 0.00 0.00 55.73 55.48 2x9s s ARG 23 Cb 0.04 0.20 -0.05 0.00 -1.56 0.00 0.00 34.95 33.59 2x9s s ARG 23 CO 0.54 -0.14 0.14 0.14 -0.81 0.00 0.00 175.30 175.17 2x9s s VAL 24 N -1.21 5.21 -0.05 7.11 -7.23 -1.26 -1.31 120.40 121.66 2x9s s VAL 24 Ca 0.02 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 2x9s s VAL 24 Cb -0.01 -3.42 0.05 0.00 0.56 0.00 0.00 36.38 33.56 2x9s s VAL 24 CO -0.02 0.36 1.57 0.18 -0.31 0.00 0.00 175.10 176.88 2x9s n LEU 25 N 4.25 4.53 0.00 1.32 4.77 0.29 -4.68 117.00 127.49 2x9s n LEU 25 Ca -0.15 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 2x9s n LEU 25 Cb 0.52 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2x9s n LEU 25 CO 0.35 0.82 0.00 0.29 -1.33 0.00 0.00 177.39 177.51 2x9s n LYS 26 N 0.83 0.00 0.00 3.23 5.02 -1.26 -4.87 118.16 121.10 2x9s n LYS 26 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2x9s n LYS 26 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 2x9s n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x9s n GLY 27 N 5.00 -3.48 1.22 0.72 0.00 -1.26 -4.83 105.19 102.56 2x9s n GLY 27 Ca 0.00 -1.20 0.10 0.00 0.00 0.00 0.00 46.02 44.92 2x9s n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x9s n SER 28 N -0.65 3.53 -0.99 1.61 3.41 -1.26 -4.37 113.62 114.92 2x9s n SER 28 Ca 0.00 -2.05 -0.02 0.00 -0.26 0.00 0.00 58.87 56.54 2x9s n SER 28 Cb 0.00 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2x9s n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2x9s n ASN 29 N 1.33 -0.35 -4.72 4.04 6.94 -1.26 -5.14 115.26 116.10 2x9s n ASN 29 Ca 0.22 -0.82 -0.42 0.00 -0.02 0.00 0.00 54.58 53.53 2x9s n ASN 29 Cb 0.57 0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 38.09 2x9s n ASN 29 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2x9s s ALA 30 N 0.01 3.87 0.02 -2.53 0.00 -1.26 -4.94 121.76 116.92 2x9s s ALA 30 Ca 0.01 1.49 -0.26 0.00 0.00 0.00 0.00 51.96 53.20 2x9s s ALA 30 Cb 0.04 -3.67 -0.16 0.00 0.00 0.00 0.00 23.12 19.33 2x9s s ALA 30 CO -0.01 -0.88 1.24 0.87 0.00 0.00 0.00 175.76 176.98 2x9s h LYS 31 N 6.88 -0.56 -5.37 0.00 1.57 -1.97 -3.45 116.57 113.67 2x9s h LYS 31 Ca -0.43 0.04 -0.46 0.00 -1.87 0.00 0.00 60.65 57.93 2x9s h LYS 31 Cb 1.20 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 33.50 2x9s h LYS 31 CO 0.94 -0.25 -0.66 0.71 -0.57 0.00 0.00 179.45 179.61 2x9s s TYR 32 N -4.79 1.86 0.09 -1.35 1.51 -1.26 -4.72 117.35 108.68 2x9s s TYR 32 Ca -0.14 -0.78 0.10 0.00 -1.01 0.00 0.00 57.07 55.24 2x9s s TYR 32 Cb 0.02 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 2x9s s TYR 32 CO 0.52 0.17 -0.27 0.00 -1.11 0.00 0.00 175.55 174.87 2x9s s ALA 33 N -3.14 2.32 0.10 3.71 0.00 0.12 -4.86 121.76 120.01 2x9s s ALA 33 Ca 0.30 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2x9s s ALA 33 Cb 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2x9s s ALA 33 CO 0.11 0.54 0.05 -2.37 0.00 0.00 0.00 175.76 174.10 2x9s n THR 34 N 1.31 0.00 -1.68 0.00 5.66 -1.26 -0.77 114.28 117.54 2x9s n THR 34 Ca -0.17 -0.64 -0.59 0.00 -3.05 0.00 0.00 64.05 59.60 2x9s n THR 34 Cb 0.52 0.27 -0.08 0.00 -1.55 0.00 0.00 70.33 69.50 2x9s n THR 34 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2x9s n VAL 35 N -0.21 0.16 0.00 1.08 0.31 -1.26 -0.59 118.33 117.82 2x9s n VAL 35 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2x9s n VAL 35 Cb 0.16 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2x9s n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x9s n GLY 36 N 3.63 2.68 3.88 2.92 0.00 -0.51 -4.86 105.19 112.93 2x9s n GLY 36 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2x9s n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x9s s ASP 37 N -1.35 6.27 -0.04 1.61 1.01 0.25 -4.85 116.67 119.57 2x9s s ASP 37 Ca 0.00 1.24 0.02 0.00 0.71 0.00 0.00 52.55 54.51 2x9s s ASP 37 Cb 0.00 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 2x9s s ASP 37 CO 0.00 -0.74 -0.06 -0.69 0.21 0.00 0.00 175.17 173.89 2x9s s VAL 38 N -2.97 3.71 0.15 -1.27 1.01 -1.26 -2.32 120.40 117.44 2x9s s VAL 38 Ca 0.52 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2x9s s VAL 38 Cb -0.11 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2x9s s VAL 38 CO 0.49 0.51 -0.10 0.27 0.00 0.00 0.00 175.10 176.27 2x9s s ILE 39 N -0.90 1.17 -0.04 2.22 -4.36 -0.29 -0.54 121.20 118.47 2x9s s ILE 39 Ca 0.15 -2.06 -0.04 0.00 -0.26 0.00 0.00 60.65 58.43 2x9s s ILE 39 Cb -0.11 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 2x9s s ILE 39 CO 0.04 -0.72 0.17 -0.69 0.24 0.00 0.00 174.94 173.97 2x9s s VAL 40 N -3.32 5.41 0.23 8.37 1.01 -0.42 -1.78 120.40 129.89 2x9s s VAL 40 Ca 0.17 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 2x9s s VAL 40 Cb 0.03 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 2x9s s VAL 40 CO 0.01 0.41 0.46 0.00 0.00 0.00 0.00 175.10 175.98 2x9s s ALA 41 N -1.24 -0.27 -0.10 5.51 0.00 0.31 0.12 121.76 126.09 2x9s s ALA 41 Ca 0.24 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2x9s s ALA 41 Cb -0.12 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 24.01 2x9s s ALA 41 CO 0.15 -0.83 -0.14 0.45 0.00 0.00 0.00 175.76 175.39 2x9s s SER 42 N -3.00 4.01 -0.16 0.00 0.15 -0.13 0.38 113.70 114.95 2x9s s SER 42 Ca 0.21 -0.28 -0.29 0.00 0.70 0.00 0.00 55.95 56.28 2x9s s SER 42 Cb -0.00 -1.35 -0.02 0.00 -1.71 0.00 0.00 66.02 62.94 2x9s s SER 42 CO 0.07 0.23 1.26 -0.69 1.20 0.00 0.00 173.24 175.30 2x9s s VAL 43 N -0.02 4.28 -0.13 4.45 1.01 -0.89 -0.76 120.40 128.34 2x9s s VAL 43 Ca -0.03 1.55 0.18 0.00 0.00 0.00 0.00 61.98 63.68 2x9s s VAL 43 Cb -0.14 -4.00 -0.24 0.00 0.00 0.00 0.00 36.38 31.99 2x9s s VAL 43 CO 0.04 -0.13 0.39 0.29 0.00 0.00 0.00 175.10 175.69 2x9s n LYS 44 N 6.49 0.66 -3.63 2.72 4.76 0.71 -1.71 118.16 128.17 2x9s n LYS 44 Ca 0.14 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.46 2x9s n LYS 44 Cb 0.45 -1.60 -0.07 0.00 -1.84 0.00 0.00 35.03 31.97 2x9s n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2x9s s GLU 45 N -2.86 0.80 -0.05 1.97 -1.05 -1.06 -4.93 118.70 111.52 2x9s s GLU 45 Ca -0.08 0.90 -0.18 0.00 -0.15 0.00 0.00 54.97 55.47 2x9s s GLU 45 Cb 0.09 0.39 0.04 0.00 -0.44 0.00 0.00 34.13 34.20 2x9s s GLU 45 CO 0.85 -0.11 0.41 0.00 0.95 0.00 0.00 175.26 177.36 2x9s s ALA 46 N 0.28 -1.03 0.33 -0.84 0.00 -1.26 -0.18 121.76 119.05 2x9s s ALA 46 Ca -0.00 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 2x9s s ALA 46 Cb -0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 23.12 22.87 2x9s s ALA 46 CO 0.00 -0.27 1.34 0.42 0.00 0.00 0.00 175.76 177.26 2x9s s ILE 47 N -0.98 2.62 0.00 0.00 1.01 -0.06 -4.90 121.20 118.90 2x9s s ILE 47 Ca -0.10 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.16 2x9s s ILE 47 Cb -0.04 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2x9s s ILE 47 CO 0.05 0.14 0.00 -2.65 0.00 0.00 0.00 174.94 172.48 2x9s n PRO 48 N 0.88 0.00 -2.90 2.79 -0.02 -1.26 -3.47 135.00 131.02 2x9s n PRO 48 Ca 0.01 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.05 2x9s n PRO 48 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 2x9s n PRO 48 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2x9s n ARG 49 N 0.00 3.60 -2.06 -0.52 0.00 -1.26 -4.95 116.66 111.47 2x9s n ARG 49 Ca 0.00 -3.99 -0.12 0.00 -0.00 0.00 0.00 57.85 53.74 2x9s n ARG 49 Cb 0.00 -2.85 0.05 0.00 -0.00 0.00 0.00 32.46 29.66 2x9s n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2x9s n GLY 50 N 3.16 1.68 0.00 2.89 0.00 -1.23 -4.95 105.19 106.74 2x9s n GLY 50 Ca 0.33 -2.15 0.10 0.00 0.00 0.00 0.00 46.02 44.30 2x9s n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9s n ALA 51 N -2.68 2.08 -2.75 4.61 0.00 -1.20 -4.67 120.51 115.89 2x9s n ALA 51 Ca -0.08 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 2x9s n ALA 51 Cb 0.35 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 2x9s n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2x9s s VAL 52 N -2.42 0.53 0.15 0.00 1.01 -1.09 -5.03 120.40 113.54 2x9s s VAL 52 Ca 0.21 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.88 2x9s s VAL 52 Cb 0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2x9s s VAL 52 CO 0.28 0.06 -0.20 -0.54 0.00 0.00 0.00 175.10 174.70 2x9s s LYS 53 N -0.39 1.69 0.19 2.72 -0.14 -1.26 -4.65 119.74 117.89 2x9s s LYS 53 Ca 0.01 -1.32 -0.33 0.00 -1.36 0.00 0.00 55.97 52.97 2x9s s LYS 53 Cb -0.04 -2.01 -0.13 0.00 -1.68 0.00 0.00 37.83 33.98 2x9s s LYS 53 CO -0.00 0.45 1.67 0.39 -0.76 0.00 0.00 175.35 177.09 2x9s n GLU 54 N 0.55 2.55 0.00 1.68 1.02 -1.26 -2.08 120.64 123.10 2x9s n GLU 54 Ca -0.14 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 2x9s n GLU 54 Cb 0.54 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.22 2x9s n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x9s n GLY 55 N 3.73 0.59 3.68 0.62 0.00 -0.69 -4.98 105.19 108.14 2x9s n GLY 55 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2x9s n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x9s s ASP 56 N -1.98 6.88 -0.54 1.61 -0.00 -0.88 -4.73 116.67 117.03 2x9s s ASP 56 Ca 0.00 2.02 -0.27 0.00 -0.00 0.00 0.00 52.55 54.30 2x9s s ASP 56 Cb 0.00 -2.56 0.03 0.00 -0.00 0.00 0.00 42.92 40.40 2x9s s ASP 56 CO 0.00 -0.71 1.09 -0.69 -0.00 0.00 0.00 175.17 174.85 2x9s s VAL 57 N 2.60 4.20 0.44 -1.27 1.01 -1.26 -2.10 120.40 124.02 2x9s s VAL 57 Ca 0.62 0.79 0.03 0.00 0.00 0.00 0.00 61.98 63.42 2x9s s VAL 57 Cb -0.29 -4.62 -0.03 0.00 0.00 0.00 0.00 36.38 31.43 2x9s s VAL 57 CO 0.25 -1.16 0.05 0.68 0.00 0.00 0.00 175.10 174.91 2x9s s VAL 58 N 4.47 1.10 0.24 2.92 -7.23 0.16 -4.89 120.40 117.17 2x9s s VAL 58 Ca 0.40 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.64 2x9s s VAL 58 Cb -0.09 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2x9s s VAL 58 CO 0.25 0.00 0.22 -0.54 -0.31 0.00 0.00 175.10 174.72 2x9s s LYS 59 N -3.80 3.01 0.05 4.82 1.02 -1.26 0.11 119.74 123.70 2x9s s LYS 59 Ca 0.19 -0.99 -0.27 0.00 0.02 0.00 0.00 55.97 54.93 2x9s s LYS 59 Cb 0.04 -2.63 0.09 0.00 -0.52 0.00 0.00 37.83 34.81 2x9s s LYS 59 CO 0.10 0.41 0.74 0.00 -0.92 0.00 0.00 175.35 175.69 2x9s s ALA 60 N -2.07 -1.72 -0.14 5.17 0.00 -0.74 -1.36 121.76 120.90 2x9s s ALA 60 Ca 0.33 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2x9s s ALA 60 Cb -0.08 0.51 0.02 0.00 0.00 0.00 0.00 23.12 23.56 2x9s s ALA 60 CO 0.25 -0.66 -0.14 0.54 0.00 0.00 0.00 175.76 175.75 2x9s s VAL 61 N -3.04 1.56 0.20 0.00 0.11 -0.52 -1.14 120.40 117.57 2x9s s VAL 61 Ca 0.01 -0.63 -0.32 0.00 -2.93 0.00 0.00 61.98 58.11 2x9s s VAL 61 Cb -0.01 -1.46 -0.13 0.00 -1.53 0.00 0.00 36.38 33.25 2x9s s VAL 61 CO -0.08 0.46 1.58 0.52 -3.33 0.00 0.00 175.10 174.25 2x9s n VAL 62 N 4.70 0.31 -0.01 2.04 0.31 -0.98 -2.39 118.33 122.32 2x9s n VAL 62 Ca -0.17 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2x9s n VAL 62 Cb 0.50 -1.69 -0.03 0.00 -0.91 0.00 0.00 33.84 31.71 2x9s n VAL 62 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2x9s n VAL 63 N 3.09 0.12 -3.78 2.52 0.24 0.36 -1.42 118.33 119.47 2x9s n VAL 63 Ca 0.15 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.34 62.20 2x9s n VAL 63 Cb 0.32 -0.24 -0.13 0.00 -1.47 0.00 0.00 33.84 32.31 2x9s n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2x9s s ARG 64 N -2.18 0.17 0.26 7.34 0.52 -1.04 -2.59 118.95 121.44 2x9s s ARG 64 Ca -0.02 0.33 0.11 0.00 -0.52 0.00 0.00 55.73 55.64 2x9s s ARG 64 Cb 0.02 -0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.42 2x9s s ARG 64 CO 0.15 -0.09 -0.17 0.95 0.02 0.00 0.00 175.30 176.17 2x9s s THR 65 N 0.61 2.65 -0.19 0.02 -4.23 -1.25 -0.21 115.64 113.05 2x9s s THR 65 Ca -0.04 -2.25 0.21 0.00 -1.18 0.00 0.00 61.69 58.43 2x9s s THR 65 Cb -0.06 -2.38 -0.07 0.00 1.34 0.00 0.00 72.50 71.33 2x9s s THR 65 CO -0.03 -0.35 0.91 1.17 -0.54 0.00 0.00 174.62 175.78 2x9s n LYS 66 N -0.53 0.62 -3.20 3.99 4.81 -1.25 -1.78 118.16 120.82 2x9s n LYS 66 Ca -0.06 0.10 -0.41 0.00 -0.87 0.00 0.00 58.31 57.07 2x9s n LYS 66 Cb 0.59 -1.78 -0.07 0.00 0.02 0.00 0.00 35.03 33.79 2x9s n LYS 66 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2x9s s LYS 67 N -3.29 3.91 0.16 1.64 2.47 -1.26 -4.47 119.74 118.90 2x9s s LYS 67 Ca -0.02 0.20 -0.24 0.00 -1.56 0.00 0.00 55.97 54.35 2x9s s LYS 67 Cb 0.10 -3.71 -0.14 0.00 -1.46 0.00 0.00 37.83 32.61 2x9s s LYS 67 CO 0.81 -0.50 0.45 -0.85 0.16 0.00 0.00 175.35 175.42 2x9s n GLU 68 N 5.71 0.00 -4.13 4.03 0.00 -1.26 -4.65 120.64 120.34 2x9s n GLU 68 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.79 2x9s n GLU 68 Cb 0.49 -0.85 -0.10 0.00 0.00 0.00 0.00 31.44 30.98 2x9s n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2x9s s ILE 69 N -0.82 4.50 -0.03 3.84 1.09 0.10 -4.93 121.20 124.95 2x9s s ILE 69 Ca 0.54 -0.14 -0.11 0.00 -1.10 0.00 0.00 60.65 59.84 2x9s s ILE 69 Cb -0.78 -3.01 -0.05 0.00 -1.06 0.00 0.00 42.46 37.55 2x9s s ILE 69 CO 0.47 0.47 0.31 -0.75 -0.10 0.00 0.00 174.94 175.34 2x9s s LYS 70 N 0.36 3.72 0.01 2.79 2.20 -1.26 -1.34 119.74 126.22 2x9s s LYS 70 Ca 0.01 0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 2x9s s LYS 70 Cb -0.13 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2x9s s LYS 70 CO 0.01 0.71 0.04 1.03 -0.36 0.00 0.00 175.35 176.77 2x9s s ARG 71 N -1.18 2.89 0.60 4.03 1.81 0.29 -4.97 118.95 122.43 2x9s s ARG 71 Ca 0.22 -0.58 0.34 0.00 -1.72 0.00 0.00 55.73 53.99 2x9s s ARG 71 Cb -0.15 -2.74 1.95 0.00 -0.45 0.00 0.00 34.95 33.56 2x9s s ARG 71 CO 0.11 0.63 2.26 -1.00 -0.68 0.00 0.00 175.30 176.62 2x9s h PRO 72 N 4.15 0.00 0.00 3.54 0.13 -1.99 0.05 132.00 137.88 2x9s h PRO 72 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2x9s h PRO 72 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2x9s h PRO 72 CO 0.60 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 2x9s n ASP 73 N -3.60 0.00 0.00 1.44 5.68 -1.26 -4.82 116.55 113.99 2x9s n ASP 73 Ca -0.03 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 2x9s n ASP 73 Cb 0.10 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 2x9s n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2x9s n GLY 74 N -0.07 0.38 3.99 6.12 0.00 0.00 -5.09 105.19 110.52 2x9s n GLY 74 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2x9s n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x9s s SER 75 N -2.02 4.90 0.07 1.61 1.04 -1.23 -4.86 113.70 113.20 2x9s s SER 75 Ca 0.00 -1.02 -0.13 0.00 0.48 0.00 0.00 55.95 55.28 2x9s s SER 75 Cb 0.00 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.55 2x9s s SER 75 CO 0.00 -1.29 0.29 0.00 0.98 0.00 0.00 173.24 173.21 2x9s s ALA 76 N -2.73 -0.60 0.11 5.32 0.00 -1.26 0.10 121.76 122.71 2x9s s ALA 76 Ca 0.52 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.39 2x9s s ALA 76 Cb -0.04 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 2x9s s ALA 76 CO 0.33 -0.47 -0.19 -1.50 0.00 0.00 0.00 175.76 173.92 2x9s s ILE 77 N -3.07 1.63 -0.22 0.00 1.10 -0.45 -4.93 121.20 115.26 2x9s s ILE 77 Ca -0.01 -1.61 -0.12 0.00 -0.51 0.00 0.00 60.65 58.40 2x9s s ILE 77 Cb 0.01 -1.56 0.07 0.00 0.15 0.00 0.00 42.46 41.13 2x9s s ILE 77 CO -0.07 -0.16 0.54 -0.60 -2.11 0.00 0.00 174.94 172.54 2x9s s ARG 78 N -2.13 0.54 0.58 3.50 3.52 -1.26 0.03 118.95 123.73 2x9s s ARG 78 Ca 0.07 1.01 0.09 0.00 -0.13 0.00 0.00 55.73 56.78 2x9s s ARG 78 Cb -0.09 0.08 0.09 0.00 -1.56 0.00 0.00 34.95 33.48 2x9s s ARG 78 CO 0.04 -0.16 0.81 -0.06 -0.81 0.00 0.00 175.30 175.12 2x9s s PHE 79 N 1.58 1.37 -2.45 5.12 0.40 -0.74 -5.00 117.98 118.26 2x9s s PHE 79 Ca -0.09 -0.72 0.27 0.00 -0.60 0.00 0.00 56.93 55.78 2x9s s PHE 79 Cb -0.07 -2.23 0.84 0.00 0.51 0.00 0.00 43.02 42.07 2x9s s PHE 79 CO -0.16 -1.20 1.62 -0.25 0.70 0.00 0.00 175.22 175.94 2x9s n ASP 80 N -2.27 1.68 -3.72 1.36 9.92 -1.26 -4.38 116.55 117.87 2x9s n ASP 80 Ca 0.16 -1.49 -0.06 0.00 -0.53 0.00 0.00 54.79 52.87 2x9s n ASP 80 Cb 0.62 0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 41.11 2x9s n ASP 80 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2x9s s ASP 81 N -2.09 -0.26 0.06 -2.24 1.47 -1.26 -4.96 116.67 107.39 2x9s s ASP 81 Ca 0.34 -0.37 -0.00 0.00 1.18 0.00 0.00 52.55 53.70 2x9s s ASP 81 Cb 0.20 0.55 -0.04 0.00 -0.34 0.00 0.00 42.92 43.29 2x9s s ASP 81 CO 0.36 -0.99 0.21 0.20 0.68 0.00 0.00 175.17 175.64 2x9s s ASN 82 N -2.86 6.36 -0.06 2.11 -0.87 -1.25 -3.74 114.94 114.63 2x9s s ASN 82 Ca 0.10 0.27 -0.30 0.00 -1.57 0.00 0.00 52.86 51.36 2x9s s ASN 82 Cb -0.03 -1.96 0.07 0.00 -0.02 0.00 0.00 41.25 39.31 2x9s s ASN 82 CO 0.01 0.17 0.66 0.00 -2.57 0.00 0.00 177.10 175.37 2x9s s ALA 83 N -1.51 -1.72 0.38 0.60 0.00 0.71 -2.12 121.76 118.09 2x9s s ALA 83 Ca 0.35 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.65 2x9s s ALA 83 Cb -0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 2x9s s ALA 83 CO 0.28 -0.36 0.14 0.00 0.00 0.00 0.00 175.76 175.82 2x9s s ALA 84 N -1.13 2.61 -0.08 0.00 0.00 -0.28 0.14 121.76 123.01 2x9s s ALA 84 Ca -0.11 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2x9s s ALA 84 Cb -0.00 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.01 2x9s s ALA 84 CO 0.09 -0.39 -0.07 0.08 0.00 0.00 0.00 175.76 175.47 2x9s s VAL 85 N -3.31 0.87 0.24 0.00 1.01 -1.00 -0.58 120.40 117.62 2x9s s VAL 85 Ca 0.28 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2x9s s VAL 85 Cb 0.03 -0.89 -0.10 0.00 0.00 0.00 0.00 36.38 35.43 2x9s s VAL 85 CO 0.16 0.32 1.51 -0.63 0.00 0.00 0.00 175.10 176.46 2x9s s ILE 86 N 1.37 2.51 0.27 2.22 1.01 -1.26 -1.44 121.20 125.88 2x9s s ILE 86 Ca -0.02 0.41 0.12 0.00 0.00 0.00 0.00 60.65 61.16 2x9s s ILE 86 Cb -0.14 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 2x9s s ILE 86 CO -0.04 0.06 -0.17 -0.63 0.00 0.00 0.00 174.94 174.16 2x9s s ILE 87 N 0.30 2.63 0.32 2.92 -1.09 -0.46 -2.59 121.20 123.23 2x9s s ILE 87 Ca 0.63 -2.29 0.04 0.00 -2.23 0.00 0.00 60.65 56.80 2x9s s ILE 87 Cb -0.44 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.05 2x9s s ILE 87 CO 0.41 -0.37 0.48 0.54 -1.23 0.00 0.00 174.94 174.77 2x9s s ASN 88 N -3.46 6.12 0.33 3.58 4.22 -0.77 -3.98 114.94 120.97 2x9s s ASN 88 Ca 0.29 0.08 0.09 0.00 -2.14 0.00 0.00 52.86 51.18 2x9s s ASN 88 Cb -0.05 -1.62 0.82 0.00 1.28 0.00 0.00 41.25 41.68 2x9s s ASN 88 CO 0.15 -0.33 1.79 0.78 -2.04 0.00 0.00 177.10 177.45 2x9s h ASN 89 N 0.88 0.70 0.41 3.54 4.21 -1.99 0.71 115.58 124.05 2x9s h ASN 89 Ca -0.49 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.11 2x9s h ASN 89 Cb 1.24 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 2x9s h ASN 89 CO 0.58 0.25 0.00 0.00 -1.29 0.00 0.00 177.43 176.97 2x9s n GLN 90 N -4.70 0.08 -0.48 0.81 6.02 -1.26 -4.89 117.38 112.96 2x9s n GLN 90 Ca 0.23 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 2x9s n GLN 90 Cb 0.60 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.18 2x9s n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2x9s n LEU 91 N -1.84 0.00 -4.70 1.08 7.99 0.25 -5.11 117.00 114.67 2x9s n LEU 91 Ca 0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.77 2x9s n LEU 91 Cb 0.14 -0.24 -0.07 0.00 -0.11 0.00 0.00 43.42 43.14 2x9s n LEU 91 CO 0.13 0.00 -0.29 -1.83 -1.51 0.00 0.00 177.39 173.89 2x9s s GLU 92 N -0.84 2.51 0.42 3.23 -1.05 -1.26 -4.79 118.70 116.93 2x9s s GLU 92 Ca 0.00 -1.16 -0.26 0.00 -0.15 0.00 0.00 54.97 53.40 2x9s s GLU 92 Cb 0.00 -2.37 -0.09 0.00 -0.44 0.00 0.00 34.13 31.23 2x9s s GLU 92 CO 0.00 0.42 1.40 -0.35 0.95 0.00 0.00 175.26 177.68 2x9s n PRO 93 N -0.55 2.26 0.05 -4.83 -0.04 -1.26 -1.86 135.00 128.77 2x9s n PRO 93 Ca -0.08 0.80 0.11 0.00 -0.04 0.00 0.00 63.50 64.29 2x9s n PRO 93 Cb 0.57 -2.56 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 2x9s n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2x9s n ARG 94 N 0.03 0.48 -2.56 0.54 1.74 -1.07 -4.83 116.66 110.99 2x9s n ARG 94 Ca 0.05 0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.91 2x9s n ARG 94 Cb 0.40 -1.68 0.03 0.00 -1.02 0.00 0.00 32.46 30.19 2x9s n ARG 94 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2x9s s GLY 95 N -4.08 1.65 0.00 -0.13 0.00 -1.26 -4.88 107.32 98.62 2x9s s GLY 95 Ca 0.00 -0.96 0.20 0.00 0.00 0.00 0.00 44.72 43.97 2x9s s GLY 95 CO 0.81 -0.68 1.03 -1.30 0.00 0.00 0.00 173.10 172.96 2x9s n THR 96 N -2.47 0.00 -4.13 0.90 -2.24 -1.26 -4.97 114.28 100.10 2x9s n THR 96 Ca 0.05 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2x9s n THR 96 Cb 0.59 1.28 -0.07 0.00 -2.10 0.00 0.00 70.33 70.03 2x9s n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2x9s s ARG 97 N -2.10 1.49 -0.21 -0.78 1.81 -1.26 -5.03 118.95 112.88 2x9s s ARG 97 Ca 0.18 -1.60 -0.09 0.00 -1.72 0.00 0.00 55.73 52.51 2x9s s ARG 97 Cb 0.16 0.36 0.08 0.00 -0.45 0.00 0.00 34.95 35.11 2x9s s ARG 97 CO 0.44 -0.56 0.46 0.14 -0.68 0.00 0.00 175.30 175.10 2x9s s VAL 98 N -3.83 -0.42 0.20 3.52 -7.23 -1.26 -3.77 120.40 107.61 2x9s s VAL 98 Ca 0.33 0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.64 2x9s s VAL 98 Cb 0.03 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 2x9s s VAL 98 CO 0.15 0.05 0.35 -0.36 -0.31 0.00 0.00 175.10 174.97 2x9s s PHE 99 N 2.16 3.48 0.17 2.82 0.08 -1.20 -4.36 117.98 121.12 2x9s s PHE 99 Ca -0.05 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.14 2x9s s PHE 99 Cb -0.10 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 2x9s s PHE 99 CO -0.14 0.43 0.00 0.41 -0.10 0.00 0.00 175.22 175.82 2x9s n GLY 100 N -0.93 -2.30 3.81 4.36 0.00 -1.26 -4.81 105.19 104.07 2x9s n GLY 100 Ca -0.07 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 2x9s n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2x9s s PRO 101 N -2.59 1.28 0.02 1.61 0.04 -1.26 -4.10 135.00 130.00 2x9s s PRO 101 Ca 0.00 0.23 -0.08 0.00 0.04 0.00 0.00 61.00 61.19 2x9s s PRO 101 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2x9s s PRO 101 CO 0.00 -2.09 0.15 0.14 0.04 0.00 0.00 177.00 175.24 2x9s s VAL 102 N -3.35 0.10 0.26 -0.36 -7.23 -0.67 -4.82 120.40 104.32 2x9s s VAL 102 Ca 0.64 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.70 2x9s s VAL 102 Cb -0.14 -0.66 -0.09 0.00 0.56 0.00 0.00 36.38 36.05 2x9s s VAL 102 CO 0.52 -0.45 1.24 0.00 -0.31 0.00 0.00 175.10 176.11 2x9s s ALA 103 N -1.93 3.48 0.09 1.32 0.00 -1.07 -0.99 121.76 122.66 2x9s s ALA 103 Ca -0.10 1.08 0.32 0.00 0.00 0.00 0.00 51.96 53.26 2x9s s ALA 103 Cb -0.05 -3.43 1.58 0.00 0.00 0.00 0.00 23.12 21.22 2x9s s ALA 103 CO -0.01 -0.46 1.97 0.07 0.00 0.00 0.00 175.76 177.34 2x9s h ARG 104 N 4.37 0.00 -1.13 0.00 0.11 -1.14 -2.23 114.38 114.35 2x9s h ARG 104 Ca -0.46 0.00 0.33 0.00 0.10 0.00 0.00 59.98 59.94 2x9s h ARG 104 Cb 1.22 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.25 2x9s h ARG 104 CO 0.71 0.00 0.99 0.93 0.10 0.00 0.00 179.97 182.70 2x9s h GLU 105 N 0.00 0.00 -0.51 0.08 3.07 -1.90 0.97 114.58 116.29 2x9s h GLU 105 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2x9s h GLU 105 Cb 0.19 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 2x9s h GLU 105 CO 0.00 0.00 0.23 -0.07 -1.40 0.00 0.00 179.01 177.77 2x9s h LEU 106 N 0.00 0.69 0.08 1.33 3.38 -1.73 -2.72 115.31 116.34 2x9s h LEU 106 Ca 0.54 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2x9s h LEU 106 Cb 2.52 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 43.08 2x9s h LEU 106 CO -0.01 0.65 -0.21 -0.09 0.09 0.00 0.00 178.44 178.87 2x9s h ARG 107 N 0.69 -0.32 0.00 1.13 2.43 0.77 0.21 114.38 119.29 2x9s h ARG 107 Ca 0.17 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2x9s h ARG 107 Cb 0.16 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2x9s h ARG 107 CO -0.02 -0.21 0.00 -0.85 -1.51 0.00 0.00 179.97 177.38 2x9s n GLU 108 N -3.65 0.05 0.00 0.20 0.00 -1.21 -0.08 120.64 115.95 2x9s n GLU 108 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.18 2x9s n GLU 108 Cb 0.17 -1.28 -0.02 0.00 0.00 0.00 0.00 31.44 30.31 2x9s n GLU 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2x9s n LYS 109 N -0.78 2.21 -0.23 3.44 4.76 0.66 -5.01 118.16 123.21 2x9s n LYS 109 Ca 0.01 -0.51 0.00 0.00 -2.87 0.00 0.00 58.31 54.93 2x9s n LYS 109 Cb 0.00 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 2x9s n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x9s n GLY 110 N 1.07 0.83 2.78 0.72 0.00 0.89 -4.99 105.19 106.49 2x9s n GLY 110 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2x9s n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2x9s n PHE 111 N -2.18 2.98 -0.14 1.61 3.72 -1.01 -4.75 117.46 117.68 2x9s n PHE 111 Ca 0.00 -2.45 -0.08 0.00 -0.05 0.00 0.00 57.45 54.87 2x9s n PHE 111 Cb 0.00 -1.25 -0.02 0.00 -0.94 0.00 0.00 39.48 37.27 2x9s n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2x9s h MET 112 N 2.79 -0.24 -0.85 -1.08 2.86 -1.84 -0.56 114.93 116.01 2x9s h MET 112 Ca 0.57 0.02 0.20 0.00 -2.06 0.00 0.00 59.70 58.43 2x9s h MET 112 Cb 0.20 0.06 -0.15 0.00 0.06 0.00 0.00 31.60 31.77 2x9s h MET 112 CO 1.45 -0.16 -0.04 -0.22 1.06 0.00 0.00 176.91 179.00 2x9s h LYS 113 N -0.25 0.05 0.59 1.72 1.63 -1.99 0.36 116.57 118.68 2x9s h LYS 113 Ca 0.18 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 2x9s h LYS 113 Cb 0.55 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2x9s h LYS 113 CO -0.58 0.04 -0.29 0.82 -3.45 0.00 0.00 179.45 175.99 2x9s h ILE 114 N 0.05 0.29 -0.54 2.00 5.03 -1.55 -2.78 117.51 120.01 2x9s h ILE 114 Ca 0.47 -0.31 0.06 0.00 -0.12 0.00 0.00 64.86 64.96 2x9s h ILE 114 Cb 0.85 0.38 -0.09 0.00 -3.03 0.00 0.00 36.82 34.93 2x9s h ILE 114 CO -0.79 0.03 -0.57 0.58 -0.68 0.00 0.00 178.15 176.72 2x9s h VAL 115 N -1.03 0.00 -0.64 1.67 2.07 0.19 -1.34 116.25 117.17 2x9s h VAL 115 Ca -0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.57 2x9s h VAL 115 Cb 0.67 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.34 2x9s h VAL 115 CO 0.13 0.00 0.12 0.77 0.02 0.00 0.00 177.57 178.61 2x9s h SER 116 N -0.31 -0.04 0.12 0.57 4.64 -1.06 -1.19 113.55 116.27 2x9s h SER 116 Ca 0.09 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 2x9s h SER 116 Cb 0.56 0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2x9s h SER 116 CO -0.67 -0.02 -0.06 -0.07 -0.87 0.00 0.00 176.83 175.13 2x9s h LEU 117 N 0.24 0.00-10.00 5.97 3.38 -0.98 -3.44 115.31 110.47 2x9s h LEU 117 Ca 0.34 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.78 2x9s h LEU 117 Cb 0.54 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.39 2x9s h LEU 117 CO -0.45 0.06 0.57 0.00 0.09 0.00 0.00 178.44 178.71 2x9s s ALA 118 N -4.59 3.01 -0.16 1.53 0.00 -0.45 -4.52 121.76 116.58 2x9s s ALA 118 Ca -0.04 1.18 0.29 0.00 0.00 0.00 0.00 51.96 53.39 2x9s s ALA 118 Cb 0.15 -3.49 1.12 0.00 0.00 0.00 0.00 23.12 20.91 2x9s s ALA 118 CO 0.60 -0.98 1.86 -1.00 0.00 0.00 0.00 175.76 176.24 2x9s h PRO 119 N 2.03 0.00 -1.45 0.00 0.13 -1.76 -3.45 132.00 127.50 2x9s h PRO 119 Ca -0.50 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.74 2x9s h PRO 119 Cb 1.27 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 2x9s h PRO 119 CO 0.60 0.00 0.52 -2.00 -0.23 0.00 0.00 178.00 176.89 2x9s s GLU 120 N -3.49 0.35 -0.02 0.86 2.12 -1.26 -5.02 118.70 112.23 2x9s s GLU 120 Ca 0.03 0.50 0.02 0.00 0.36 0.00 0.00 54.97 55.88 2x9s s GLU 120 Cb 0.09 0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 2x9s s GLU 120 CO 0.52 -0.05 -0.05 0.08 -0.54 0.00 0.00 175.26 175.22 2x9s s VAL 121 N 0.65 3.79 0.00 3.70 1.01 -1.26 -1.67 120.40 126.62 2x9s s VAL 121 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2x9s s VAL 121 Cb -0.04 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2x9s s VAL 121 CO -0.11 0.45 0.00 0.18 0.00 0.00 0.00 175.10 175.62