#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s h ASN 2 N 0.00 1.10 -3.79 6.12 2.35 -2.05 -3.36 115.58 115.94 2x9s h ASN 2 Ca 0.00 -0.06 -0.68 0.00 -0.55 0.00 0.00 56.30 55.01 2x9s h ASN 2 Cb 0.00 -0.28 -0.35 0.00 0.05 0.00 0.00 38.32 37.74 2x9s h ASN 2 CO 0.00 0.84 -0.74 -0.13 -1.65 0.00 0.00 177.43 175.75 2x9s s ARG 3 N -5.94 2.24 0.54 0.81 1.81 -1.26 -4.91 118.95 112.24 2x9s s ARG 3 Ca -0.12 -1.39 0.31 0.00 -1.72 0.00 0.00 55.73 52.81 2x9s s ARG 3 Cb 0.17 -3.07 1.51 0.00 -0.45 0.00 0.00 34.95 33.12 2x9s s ARG 3 CO 0.82 -0.65 2.07 0.78 -0.68 0.00 0.00 175.30 177.64 2x9s h GLY 4 N 7.86 0.00 1.10 -3.53 0.00 -2.01 -2.40 103.07 104.08 2x9s h GLY 4 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.82 2x9s h GLY 4 CO 0.51 0.00 -1.63 0.00 0.00 0.00 0.00 176.54 175.42 2x9s h ALA 5 N 1.91 0.18 -0.16 3.60 0.00 -1.94 -3.17 119.26 119.67 2x9s h ALA 5 Ca -0.00 -1.10 0.05 0.00 0.00 0.00 0.00 54.91 53.85 2x9s h ALA 5 Cb 0.38 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2x9s h ALA 5 CO 0.01 1.05 -0.16 1.25 0.00 0.00 0.00 179.25 181.40 2x9s h LEU 6 N 0.09 -0.50 -2.09 0.00 6.46 -1.83 0.10 115.31 117.54 2x9s h LEU 6 Ca -0.29 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 2x9s h LEU 6 Cb 2.07 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 42.24 2x9s h LEU 6 CO 0.18 -0.20 -0.05 0.40 -0.62 0.00 0.00 178.44 178.15 2x9s h ILE 7 N -0.18 0.81 0.03 4.05 2.04 -1.62 0.12 117.51 122.76 2x9s h ILE 7 Ca 0.11 -0.17 -0.25 0.00 1.00 0.00 0.00 64.86 65.55 2x9s h ILE 7 Cb 0.34 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2x9s h ILE 7 CO -0.27 0.04 -1.25 0.11 0.00 0.00 0.00 178.15 176.79 2x9s h LYS 8 N 0.00 0.06 0.01 2.37 1.57 -1.21 -2.09 116.57 117.28 2x9s h LYS 8 Ca -0.00 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2x9s h LYS 8 Cb 0.09 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2x9s h LYS 8 CO 0.01 0.94 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.74 2x9s h LEU 9 N 0.02 -0.02 -0.33 2.94 3.38 0.15 -1.57 115.31 119.88 2x9s h LEU 9 Ca -0.11 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.54 2x9s h LEU 9 Cb 1.88 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.56 2x9s h LEU 9 CO 0.13 0.39 -0.15 0.58 0.09 0.00 0.00 178.44 179.48 2x9s h VAL 10 N -0.42 0.54 -0.85 1.22 2.07 -0.90 -1.95 116.25 115.95 2x9s h VAL 10 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2x9s h VAL 10 Cb 0.41 0.54 -0.11 0.00 -1.52 0.00 0.00 31.29 30.61 2x9s h VAL 10 CO 0.00 0.00 -0.55 -0.08 0.02 0.00 0.00 177.57 176.97 2x9s h GLU 11 N -0.09 -0.05 -5.57 1.57 4.57 -1.18 -3.31 114.58 110.52 2x9s h GLU 11 Ca 0.17 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.15 2x9s h GLU 11 Cb 0.35 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2x9s h GLU 11 CO -0.39 -0.04 0.57 -1.12 -1.18 0.00 0.00 179.01 176.85 2x9s s SER 12 N -5.27 4.54 -0.23 1.04 0.01 -0.61 -4.75 113.70 108.42 2x9s s SER 12 Ca -0.12 -0.10 0.11 0.00 1.31 0.00 0.00 55.95 57.16 2x9s s SER 12 Cb 0.10 -2.55 0.45 0.00 0.21 0.00 0.00 66.02 64.23 2x9s s SER 12 CO 0.58 -3.22 1.32 0.54 0.41 0.00 0.00 173.24 172.87 2x9s n ARG 13 N 8.89 1.73 -0.81 12.44 5.12 -1.25 -4.60 116.66 138.19 2x9s n ARG 13 Ca 0.41 -3.15 0.00 0.00 -1.93 0.00 0.00 57.85 53.18 2x9s n ARG 13 Cb 0.47 -1.70 0.19 0.00 -1.16 0.00 0.00 32.46 30.25 2x9s n ARG 13 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2x9s n TYR 14 N -1.12 0.57 -2.67 -1.55 4.02 -1.26 -5.06 117.16 110.08 2x9s n TYR 14 Ca 0.24 -1.62 -0.35 0.00 -0.01 0.00 0.00 57.90 56.17 2x9s n TYR 14 Cb 0.83 -0.33 -0.05 0.00 -0.02 0.00 0.00 39.34 39.77 2x9s n TYR 14 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2x9s s VAL 15 N -3.41 4.03 0.33 -0.72 -7.23 -1.26 -4.79 120.40 107.36 2x9s s VAL 15 Ca 0.41 1.40 0.01 0.00 -1.81 0.00 0.00 61.98 61.98 2x9s s VAL 15 Cb 0.38 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.65 2x9s s VAL 15 CO -0.04 -0.15 0.53 -0.13 -0.31 0.00 0.00 175.10 175.00 2x9s s ARG 16 N -2.86 3.48 -0.25 4.82 1.81 -1.26 -5.02 118.95 119.68 2x9s s ARG 16 Ca 0.61 -0.37 0.09 0.00 -1.72 0.00 0.00 55.73 54.34 2x9s s ARG 16 Cb -0.16 -2.69 0.30 0.00 -0.45 0.00 0.00 34.95 31.96 2x9s s ARG 16 CO 0.20 0.18 1.38 -2.37 -0.68 0.00 0.00 175.30 174.01 2x9s n THR 17 N -1.72 0.00 -0.07 0.02 5.66 -1.26 -4.93 114.28 111.99 2x9s n THR 17 Ca -0.05 -0.73 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 2x9s n THR 17 Cb 0.56 0.86 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 2x9s n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2x9s n ASP 18 N -1.14 0.00 -4.74 1.09 5.75 -1.26 -5.09 116.55 111.17 2x9s n ASP 18 Ca -0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.18 2x9s n ASP 18 Cb 0.82 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.86 2x9s n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x9s s LEU 19 N 0.00 4.56 0.31 -2.12 1.43 -1.26 -4.98 118.68 116.62 2x9s s LEU 19 Ca 0.00 1.93 -0.28 0.00 -1.03 0.00 0.00 54.13 54.75 2x9s s LEU 19 Cb 0.00 -3.60 -0.13 0.00 0.03 0.00 0.00 46.19 42.48 2x9s s LEU 19 CO 0.00 -0.01 1.12 -2.65 0.23 0.00 0.00 176.35 175.04 2x9s n PRO 20 N 2.12 1.65 -2.47 1.29 -0.02 -1.26 -4.92 135.00 131.38 2x9s n PRO 20 Ca 0.01 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 2x9s n PRO 20 Cb 0.48 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 2x9s n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2x9s s GLU 21 N -1.63 4.29 0.19 -0.52 2.12 -1.26 -5.00 118.70 116.88 2x9s s GLU 21 Ca 0.58 1.63 -0.03 0.00 0.36 0.00 0.00 54.97 57.51 2x9s s GLU 21 Cb -0.65 -3.67 -0.03 0.00 0.26 0.00 0.00 34.13 30.03 2x9s s GLU 21 CO 0.60 -0.59 0.16 -0.59 -0.54 0.00 0.00 175.26 174.30 2x9s s PHE 22 N 2.94 0.96 -0.03 5.30 -0.12 -1.26 -5.13 117.98 120.64 2x9s s PHE 22 Ca 0.54 -1.24 -0.29 0.00 -0.05 0.00 0.00 56.93 55.89 2x9s s PHE 22 Cb -0.22 -0.43 0.09 0.00 -0.63 0.00 0.00 43.02 41.83 2x9s s PHE 22 CO 0.17 -0.65 0.81 -0.98 -0.05 0.00 0.00 175.22 174.51 2x9s s ARG 23 N -4.11 0.91 0.00 1.99 1.70 -1.26 -5.01 118.95 113.17 2x9s s ARG 23 Ca 0.32 -0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.54 2x9s s ARG 23 Cb 0.06 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 2x9s s ARG 23 CO 0.08 -0.34 0.00 -2.30 -1.08 0.00 0.00 175.30 171.67 2x9s n PRO 24 N 0.33 0.00 0.00 3.89 -0.02 -1.26 -4.32 135.00 133.62 2x9s n PRO 24 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2x9s n PRO 24 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 2x9s n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9s n GLY 25 N 0.00 0.93 2.71 -1.23 0.00 -1.26 -4.47 105.19 101.88 2x9s n GLY 25 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2x9s n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2x9s n ASP 26 N 0.00 -2.23 -2.03 1.61 4.64 -1.22 -3.86 116.55 113.46 2x9s n ASP 26 Ca 0.00 -2.47 -0.00 0.00 -1.38 0.00 0.00 54.79 50.94 2x9s n ASP 26 Cb 0.00 1.30 0.00 0.00 -1.04 0.00 0.00 41.12 41.39 2x9s n ASP 26 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 2x9s n THR 27 N 1.83 0.00 -2.71 5.18 5.66 -1.23 -2.28 114.28 120.73 2x9s n THR 27 Ca 0.07 -0.02 0.02 0.00 -3.05 0.00 0.00 64.05 61.07 2x9s n THR 27 Cb 0.65 -1.86 0.01 0.00 -1.55 0.00 0.00 70.33 67.59 2x9s n THR 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2x9s s VAL 28 N -0.78 -0.11 -0.11 1.08 1.01 -1.24 -3.53 120.40 116.73 2x9s s VAL 28 Ca 0.01 -0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 2x9s s VAL 28 Cb -0.00 0.00 0.05 0.00 0.00 0.00 0.00 36.38 36.43 2x9s s VAL 28 CO 0.01 0.00 0.51 -0.60 0.00 0.00 0.00 175.10 175.02 2x9s s ARG 29 N 1.94 0.76 0.00 2.72 6.06 -0.91 -4.56 118.95 124.95 2x9s s ARG 29 Ca 0.15 0.34 0.00 0.00 -2.50 0.00 0.00 55.73 53.72 2x9s s ARG 29 Cb 0.04 0.36 0.00 0.00 0.06 0.00 0.00 34.95 35.41 2x9s s ARG 29 CO -0.16 -0.18 0.00 1.33 -2.50 0.00 0.00 175.30 173.80 2x9s n VAL 30 N 1.84 0.00 0.00 7.11 0.24 -1.26 -4.40 118.33 121.86 2x9s n VAL 30 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2x9s n VAL 30 Cb 0.56 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 2x9s n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2x9s n SER 31 N 0.00 0.00 0.13 -1.34 3.41 0.22 -4.58 113.62 111.46 2x9s n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2x9s n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2x9s n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x9s n TYR 32 N 0.00 -3.68 -2.00 7.33 0.18 -1.26 -3.46 117.16 114.27 2x9s n TYR 32 Ca 0.00 0.88 0.00 0.00 1.88 0.00 0.00 57.90 60.66 2x9s n TYR 32 Cb 0.00 2.42 0.00 0.00 -0.38 0.00 0.00 39.34 41.38 2x9s n TYR 32 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2x9s n LYS 33 N -3.23 -2.35 -3.99 -3.48 4.76 -1.26 -2.42 118.16 106.19 2x9s n LYS 33 Ca 0.00 1.68 -0.36 0.00 -2.87 0.00 0.00 58.31 56.76 2x9s n LYS 33 Cb 0.00 -2.27 -0.07 0.00 -1.84 0.00 0.00 35.03 30.86 2x9s n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x9s s VAL 34 N -0.25 5.25 0.00 -0.18 1.01 -1.26 -3.67 120.40 121.30 2x9s s VAL 34 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2x9s s VAL 34 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2x9s s VAL 34 CO 0.00 0.61 0.00 2.29 0.00 0.00 0.00 175.10 178.00 2x9s n LYS 35 N 1.99 0.00 0.00 2.72 2.85 -1.26 -4.97 118.16 119.49 2x9s n LYS 35 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 2x9s n LYS 35 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 2x9s n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2x9s n GLU 36 N -0.17 0.00 -0.10 -1.58 0.00 -1.26 -3.24 120.64 114.28 2x9s n GLU 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2x9s n GLU 36 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 31.44 28.61 2x9s n GLU 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2x9s n GLY 37 N -1.48 0.89 0.00 8.31 0.00 -1.26 -5.08 105.19 106.57 2x9s n GLY 37 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2x9s n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2x9s n ASN 38 N -0.10 0.00 0.00 1.61 2.04 -1.20 -5.07 115.26 112.54 2x9s n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 2x9s n ASN 38 Cb 0.03 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.28 2x9s n ASN 38 CO 0.00 0.00 0.00 -2.11 -0.44 0.00 0.00 177.26 174.71 2x9s n ARG 39 N 0.00 0.00 0.00 -3.83 1.85 -1.26 -4.76 116.66 108.66 2x9s n ARG 39 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2x9s n ARG 39 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2x9s n ARG 39 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2x9s n THR 40 N 0.00 0.00 0.00 8.89 -2.24 -1.24 -4.81 114.28 114.88 2x9s n THR 40 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2x9s n THR 40 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2x9s n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2x9s n ARG 41 N 0.00 0.00 -1.98 -0.78 0.00 -1.26 -4.49 116.66 108.15 2x9s n ARG 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2x9s n ARG 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2x9s n ARG 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2x9s n ILE 42 N 0.00 -0.71 -3.13 5.15 -5.35 -1.02 -4.92 119.36 109.38 2x9s n ILE 42 Ca 0.00 0.04 -0.31 0.00 -0.27 0.00 0.00 62.75 62.21 2x9s n ILE 42 Cb 0.00 -1.62 -0.04 0.00 -1.74 0.00 0.00 39.64 36.24 2x9s n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2x9s s GLN 43 N -0.07 3.79 0.05 6.28 0.74 -1.26 -4.80 119.66 124.39 2x9s s GLN 43 Ca 0.00 0.35 0.02 0.00 0.05 0.00 0.00 55.36 55.78 2x9s s GLN 43 Cb 0.00 -2.51 -0.04 0.00 1.10 0.00 0.00 33.01 31.56 2x9s s GLN 43 CO 0.00 0.13 0.08 -0.51 -0.55 0.00 0.00 175.29 174.44 2x9s s ASP 44 N -2.85 5.56 -0.25 6.67 1.01 -1.26 -0.61 116.67 124.94 2x9s s ASP 44 Ca 0.49 0.04 -0.02 0.00 0.71 0.00 0.00 52.55 53.77 2x9s s ASP 44 Cb -0.11 -1.53 0.08 0.00 1.01 0.00 0.00 42.92 42.38 2x9s s ASP 44 CO 0.26 0.21 0.07 0.12 0.21 0.00 0.00 175.17 176.04 2x9s s PHE 45 N -1.31 1.27 -0.29 4.23 5.36 -1.26 -4.91 117.98 121.07 2x9s s PHE 45 Ca 0.27 -1.25 -0.16 0.00 -0.96 0.00 0.00 56.93 54.82 2x9s s PHE 45 Cb -0.12 -1.31 -0.03 0.00 -0.34 0.00 0.00 43.02 41.22 2x9s s PHE 45 CO 0.19 -0.75 0.43 -2.00 -1.46 0.00 0.00 175.22 171.63 2x9s s GLU 46 N 1.77 3.90 0.02 10.12 2.12 -1.26 -2.15 118.70 133.22 2x9s s GLU 46 Ca 0.04 0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.10 2x9s s GLU 46 Cb -0.17 -3.70 0.11 0.00 0.26 0.00 0.00 34.13 30.63 2x9s s GLU 46 CO -0.18 -0.39 1.23 0.20 -0.54 0.00 0.00 175.26 175.58 2x9s s GLY 47 N 1.65 -0.28 0.18 -1.50 0.00 -1.23 -4.66 107.32 101.48 2x9s s GLY 47 Ca 0.17 0.40 -0.25 0.00 0.00 0.00 0.00 44.72 45.03 2x9s s GLY 47 CO 0.11 1.58 0.79 -0.42 0.00 0.00 0.00 173.10 175.15 2x9s s ILE 48 N -2.39 4.35 -0.43 0.90 1.09 -0.50 -3.58 121.20 120.64 2x9s s ILE 48 Ca 0.18 1.71 -0.24 0.00 -1.10 0.00 0.00 60.65 61.21 2x9s s ILE 48 Cb 0.02 -4.14 0.02 0.00 -1.06 0.00 0.00 42.46 37.31 2x9s s ILE 48 CO -0.02 0.50 0.81 0.54 -0.10 0.00 0.00 174.94 176.68 2x9s s VAL 49 N -1.18 4.64 0.17 2.92 0.11 -1.25 0.06 120.40 125.87 2x9s s VAL 49 Ca 0.37 0.62 0.05 0.00 -2.93 0.00 0.00 61.98 60.08 2x9s s VAL 49 Cb -0.23 -4.31 -0.15 0.00 -1.53 0.00 0.00 36.38 30.16 2x9s s VAL 49 CO 0.26 -0.66 1.38 0.40 -3.33 0.00 0.00 175.10 173.15 2x9s h ILE 50 N 5.94 1.54 -2.18 7.04 5.03 -1.59 -3.35 117.51 129.94 2x9s h ILE 50 Ca -0.25 -2.76 0.13 0.00 -0.12 0.00 0.00 64.86 61.87 2x9s h ILE 50 Cb 1.09 2.53 -0.15 0.00 -3.03 0.00 0.00 36.82 37.25 2x9s h ILE 50 CO 0.96 0.80 0.54 -0.60 -0.68 0.00 0.00 178.15 179.16 2x9s s ARG 51 N -3.13 0.77 -0.24 2.37 3.52 -1.24 -2.40 118.95 118.61 2x9s s ARG 51 Ca -0.02 -0.30 -0.03 0.00 -0.13 0.00 0.00 55.73 55.25 2x9s s ARG 51 Cb 0.10 0.35 0.10 0.00 -1.56 0.00 0.00 34.95 33.94 2x9s s ARG 51 CO 0.82 -0.34 0.20 0.42 -0.81 0.00 0.00 175.30 175.59 2x9s s ILE 52 N -3.04 -0.26 0.21 4.11 1.01 -1.26 -1.13 121.20 120.85 2x9s s ILE 52 Ca 0.06 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 2x9s s ILE 52 Cb -0.01 -0.81 -0.09 0.00 0.01 0.00 0.00 42.46 41.57 2x9s s ILE 52 CO -0.08 -0.39 0.89 -0.13 0.00 0.00 0.00 174.94 175.23 2x9s s ARG 53 N 2.26 4.77 -0.07 2.79 0.52 -0.04 -4.93 118.95 124.26 2x9s s ARG 53 Ca 0.07 1.39 0.03 0.00 -0.52 0.00 0.00 55.73 56.71 2x9s s ARG 53 Cb -0.15 -3.28 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 2x9s s ARG 53 CO -0.22 0.52 -0.16 1.03 0.02 0.00 0.00 175.30 176.50 2x9s s ARG 54 N -1.13 2.77 -0.37 3.54 0.52 -1.26 -1.42 118.95 121.60 2x9s s ARG 54 Ca 0.40 -0.73 0.12 0.00 -0.52 0.00 0.00 55.73 55.00 2x9s s ARG 54 Cb -0.25 -2.42 0.41 0.00 0.52 0.00 0.00 34.95 33.21 2x9s s ARG 54 CO 0.30 0.47 1.39 -1.71 0.02 0.00 0.00 175.30 175.77 2x9s n ASN 55 N 2.77 -1.38 0.00 0.23 2.85 -1.26 -4.95 115.26 113.51 2x9s n ASN 55 Ca -0.17 -2.37 0.00 0.00 -0.11 0.00 0.00 54.58 51.92 2x9s n ASN 55 Cb 0.52 0.74 0.00 0.00 1.24 0.00 0.00 39.78 42.28 2x9s n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2x9s n GLY 56 N -0.90 0.21 0.00 8.20 0.00 -1.26 -4.25 105.19 107.20 2x9s n GLY 56 Ca -0.07 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.68 2x9s n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2x9s n PHE 57 N 0.00 -1.89 -1.78 1.61 -0.00 -1.26 -4.43 117.46 109.71 2x9s n PHE 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2x9s n PHE 57 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2x9s n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2x9s n ASN 58 N -1.66 0.00 -4.91 -2.13 2.04 -1.26 -4.83 115.26 102.50 2x9s n ASN 58 Ca 0.00 0.00 -0.31 0.00 -0.44 0.00 0.00 54.58 53.83 2x9s n ASN 58 Cb 0.00 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 2x9s n ASN 58 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 2x9s s THR 59 N -1.85 5.25 0.41 5.53 -4.23 -1.26 -4.59 115.64 114.90 2x9s s THR 59 Ca 0.00 -0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.38 2x9s s THR 59 Cb 0.00 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 2x9s s THR 59 CO 0.00 0.05 0.05 0.42 -0.54 0.00 0.00 174.62 174.60 2x9s s THR 60 N -1.63 1.20 -0.07 3.99 -4.23 -0.51 -4.15 115.64 110.24 2x9s s THR 60 Ca 0.39 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.66 2x9s s THR 60 Cb -0.12 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.19 2x9s s THR 60 CO 0.26 0.00 0.54 0.72 -0.54 0.00 0.00 174.62 175.61 2x9s s PHE 61 N -3.06 -0.50 0.04 3.99 -0.12 -0.74 -0.86 117.98 116.73 2x9s s PHE 61 Ca 0.26 0.95 0.07 0.00 -0.05 0.00 0.00 56.93 58.16 2x9s s PHE 61 Cb 0.06 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.69 2x9s s PHE 61 CO 0.13 -0.48 -0.21 0.95 -0.05 0.00 0.00 175.22 175.56 2x9s s THR 62 N -0.91 1.69 -0.06 -4.49 -4.23 -0.28 -0.81 115.64 106.55 2x9s s THR 62 Ca -0.09 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.30 2x9s s THR 62 Cb -0.02 -1.46 -0.01 0.00 1.34 0.00 0.00 72.50 72.34 2x9s s THR 62 CO 0.06 0.25 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.48 2x9s s VAL 63 N -0.76 2.31 0.02 2.29 1.01 0.04 -1.45 120.40 123.86 2x9s s VAL 63 Ca 0.08 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2x9s s VAL 63 Cb -0.09 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2x9s s VAL 63 CO 0.01 0.57 -0.03 -0.60 0.00 0.00 0.00 175.10 175.05 2x9s s ARG 64 N -0.24 2.63 0.20 2.72 3.52 0.11 -0.72 118.95 127.17 2x9s s ARG 64 Ca -0.01 -0.70 -0.17 0.00 -0.13 0.00 0.00 55.73 54.72 2x9s s ARG 64 Cb -0.13 -2.57 0.03 0.00 -1.56 0.00 0.00 34.95 30.71 2x9s s ARG 64 CO 0.03 0.60 0.51 0.21 -0.81 0.00 0.00 175.30 175.84 2x9s s LYS 65 N -1.64 1.38 -0.26 5.12 2.47 0.13 -1.42 119.74 125.52 2x9s s LYS 65 Ca 0.20 -0.89 0.02 0.00 -1.56 0.00 0.00 55.97 53.74 2x9s s LYS 65 Cb -0.11 0.51 0.06 0.00 -1.46 0.00 0.00 37.83 36.84 2x9s s LYS 65 CO 0.10 -0.58 -0.07 0.08 0.16 0.00 0.00 175.35 175.04 2x9s s VAL 66 N -3.88 1.96 -0.93 4.02 1.01 -1.26 0.11 120.40 121.44 2x9s s VAL 66 Ca 0.10 -1.58 -0.21 0.00 0.00 0.00 0.00 61.98 60.29 2x9s s VAL 66 Cb -0.01 -2.16 0.09 0.00 0.00 0.00 0.00 36.38 34.30 2x9s s VAL 66 CO -0.02 -0.12 1.24 -0.44 0.00 0.00 0.00 175.10 175.75 2x9s s SER 67 N 1.18 6.51 0.00 3.32 0.01 0.27 -4.74 113.70 120.25 2x9s s SER 67 Ca -0.06 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.55 2x9s s SER 67 Cb -0.20 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2x9s s SER 67 CO -0.06 -1.30 0.00 -1.22 0.41 0.00 0.00 173.24 171.07 2x9s n TYR 68 N 7.65 0.00 -1.55 2.43 4.01 -1.26 -2.31 117.16 126.13 2x9s n TYR 68 Ca 0.24 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.98 2x9s n TYR 68 Cb 0.49 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.53 2x9s n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x9s n GLY 69 N 0.00 -0.24 3.11 2.72 0.00 -1.26 -5.07 105.19 104.45 2x9s n GLY 69 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 2x9s n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9s s VAL 70 N -0.22 1.11 0.32 1.61 1.01 -0.98 -5.13 120.40 118.12 2x9s s VAL 70 Ca 0.02 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 2x9s s VAL 70 Cb 0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 2x9s s VAL 70 CO 0.00 0.28 0.82 -0.83 0.00 0.00 0.00 175.10 175.37 2x9s s GLY 71 N -0.43 2.49 -0.03 4.51 0.00 -1.26 0.94 107.32 113.54 2x9s s GLY 71 Ca 0.05 0.23 -0.00 0.00 0.00 0.00 0.00 44.72 45.00 2x9s s GLY 71 CO -0.00 0.53 0.02 0.14 0.00 0.00 0.00 173.10 173.79 2x9s s VAL 72 N -1.85 0.06 -0.10 1.40 1.01 0.30 -4.86 120.40 116.36 2x9s s VAL 72 Ca 0.52 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2x9s s VAL 72 Cb -0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 2x9s s VAL 72 CO 0.18 0.15 -0.15 -1.61 0.00 0.00 0.00 175.10 173.67 2x9s s GLU 73 N 1.37 3.06 0.00 2.72 2.02 -1.26 -0.70 118.70 125.92 2x9s s GLU 73 Ca -0.05 -0.72 0.08 0.00 0.02 0.00 0.00 54.97 54.30 2x9s s GLU 73 Cb -0.13 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 2x9s s GLU 73 CO -0.03 0.34 -0.24 1.03 0.02 0.00 0.00 175.26 176.38 2x9s s ARG 74 N 0.00 2.06 -0.18 1.61 1.81 0.10 -4.93 118.95 119.42 2x9s s ARG 74 Ca -0.05 -0.96 -0.01 0.00 -1.72 0.00 0.00 55.73 53.00 2x9s s ARG 74 Cb -0.14 -2.07 0.01 0.00 -0.45 0.00 0.00 34.95 32.29 2x9s s ARG 74 CO 0.04 0.55 -0.14 0.42 -0.68 0.00 0.00 175.30 175.49 2x9s s ILE 75 N -0.71 2.58 0.04 1.52 1.01 -1.26 -0.78 121.20 123.60 2x9s s ILE 75 Ca 0.11 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.06 2x9s s ILE 75 Cb -0.10 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2x9s s ILE 75 CO 0.01 0.50 -0.17 -0.36 0.00 0.00 0.00 174.94 174.91 2x9s s PHE 76 N 1.22 2.58 -0.46 3.97 0.40 0.01 -4.98 117.98 120.71 2x9s s PHE 76 Ca 0.02 -0.24 0.26 0.00 -0.60 0.00 0.00 56.93 56.37 2x9s s PHE 76 Cb -0.14 -1.47 0.93 0.00 0.51 0.00 0.00 43.02 42.85 2x9s s PHE 76 CO -0.07 0.26 1.77 -1.35 0.70 0.00 0.00 175.22 176.52 2x9s h PRO 77 N 4.55 0.00 0.00 0.24 0.11 -1.85 -1.96 132.00 133.08 2x9s h PRO 77 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2x9s h PRO 77 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2x9s h PRO 77 CO 0.48 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.55 2x9s n LEU 78 N -2.46 0.00 -3.75 2.35 4.77 -1.26 -4.06 117.00 112.59 2x9s n LEU 78 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 2x9s n LEU 78 Cb 0.33 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 2x9s n LEU 78 CO 0.25 0.00 0.04 -1.00 -1.33 0.00 0.00 177.39 175.35 2x9s s HIS 79 N -3.34 -0.22 0.00 -1.77 3.76 -1.26 -4.78 115.29 107.67 2x9s s HIS 79 Ca 0.00 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.29 2x9s s HIS 79 Cb 0.00 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.80 2x9s s HIS 79 CO 0.00 -0.37 0.00 0.45 -0.85 0.00 0.00 174.74 173.97 2x9s n SER 80 N 1.46 0.00 0.05 1.40 2.88 -1.26 -4.70 113.62 113.45 2x9s n SER 80 Ca -0.20 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.16 2x9s n SER 80 Cb 0.56 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.88 2x9s n SER 80 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2x9s h PRO 81 N 0.00 0.26 -6.82 -1.46 0.11 -1.98 -3.46 132.00 118.64 2x9s h PRO 81 Ca 0.00 -0.44 -0.53 0.00 0.11 0.00 0.00 66.00 65.14 2x9s h PRO 81 Cb 0.00 0.16 0.08 0.00 0.11 0.00 0.00 31.00 31.36 2x9s h PRO 81 CO 0.00 1.11 0.86 -0.48 -0.21 0.00 0.00 178.00 179.28 2x9s s LEU 82 N -6.97 4.34 -0.10 2.35 0.05 -1.24 -4.54 118.68 112.58 2x9s s LEU 82 Ca -0.11 2.94 -0.03 0.00 0.05 0.00 0.00 54.13 56.98 2x9s s LEU 82 Cb 0.07 -3.64 -0.01 0.00 -2.05 0.00 0.00 46.19 40.56 2x9s s LEU 82 CO 0.84 -0.89 -0.06 0.16 -0.55 0.00 0.00 176.35 175.85 2x9s h ILE 83 N 3.33 0.00 -0.84 1.48 3.07 -1.88 -3.49 117.51 119.18 2x9s h ILE 83 Ca -0.48 -0.86 -0.66 0.00 1.55 0.00 0.00 64.86 64.42 2x9s h ILE 83 Cb 1.22 0.00 -0.13 0.00 -0.27 0.00 0.00 36.82 37.64 2x9s h ILE 83 CO 0.77 0.00 -0.51 0.00 -1.05 0.00 0.00 178.15 177.36 2x9s s GLN 84 N -1.72 2.16 -0.33 0.16 -2.07 -1.26 -5.03 119.66 111.57 2x9s s GLN 84 Ca -0.05 -2.38 0.15 0.00 -1.82 0.00 0.00 55.36 51.26 2x9s s GLN 84 Cb 0.01 -1.28 0.44 0.00 -1.09 0.00 0.00 33.01 31.09 2x9s s GLN 84 CO 0.08 -0.43 1.39 1.63 -1.32 0.00 0.00 175.29 176.64 2x9s n LYS 85 N -1.21 1.43 -1.62 9.60 5.02 -1.26 -4.04 118.16 126.09 2x9s n LYS 85 Ca -0.17 -1.96 -0.40 0.00 -2.02 0.00 0.00 58.31 53.76 2x9s n LYS 85 Cb 0.66 -0.22 0.02 0.00 -0.02 0.00 0.00 35.03 35.47 2x9s n LYS 85 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2x9s n ILE 86 N -1.14 2.76 -4.70 -0.18 3.06 -1.26 -4.59 119.36 113.31 2x9s n ILE 86 Ca -0.09 -0.50 -0.33 0.00 -2.50 0.00 0.00 62.75 59.34 2x9s n ILE 86 Cb 0.85 -1.20 -0.16 0.00 0.54 0.00 0.00 39.64 39.67 2x9s n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2x9s s ASP 87 N -0.85 3.21 0.00 9.51 3.84 -1.26 -3.63 116.67 127.49 2x9s s ASP 87 Ca 0.66 -0.57 0.00 0.00 -0.00 0.00 0.00 52.55 52.64 2x9s s ASP 87 Cb -0.51 -1.46 0.00 0.00 -1.38 0.00 0.00 42.92 39.57 2x9s s ASP 87 CO 0.54 0.09 0.85 -0.38 -0.00 0.00 0.00 175.17 176.27 2x9s n ILE 88 N 4.01 0.00 -3.79 2.11 2.08 -1.22 -4.64 119.36 117.90 2x9s n ILE 88 Ca -0.20 1.35 -0.28 0.00 0.56 0.00 0.00 62.75 64.18 2x9s n ILE 88 Cb 0.52 -2.14 -0.16 0.00 -0.75 0.00 0.00 39.64 37.11 2x9s n ILE 88 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2x9s s VAL 89 N -2.39 0.80 -1.61 1.39 1.01 -0.96 -4.96 120.40 113.69 2x9s s VAL 89 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2x9s s VAL 89 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.15 2x9s s VAL 89 CO 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 175.10 175.01 2x9s n GLN 90 N 4.95 0.09 0.00 2.72 1.13 -1.26 -3.41 117.38 121.59 2x9s n GLN 90 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2x9s n GLN 90 Cb 0.46 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.80 2x9s n GLN 90 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2x9s n ARG 91 N -0.12 0.00 -1.42 -1.09 1.74 -1.26 -4.33 116.66 110.17 2x9s n ARG 91 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2x9s n ARG 91 Cb 0.01 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.45 2x9s n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x9s n GLY 92 N 0.00 -0.12 3.56 -0.13 0.00 -1.23 -4.03 105.19 103.23 2x9s n GLY 92 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2x9s n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2x9s n ARG 93 N -1.43 1.20 -4.36 1.61 0.00 -0.95 -4.03 116.66 108.70 2x9s n ARG 93 Ca -0.00 0.12 -0.24 0.00 -0.00 0.00 0.00 57.85 57.73 2x9s n ARG 93 Cb 0.15 -3.29 -0.09 0.00 0.00 0.00 0.00 32.46 29.23 2x9s n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2x9s s ALA 94 N 11.12 3.08 -2.00 5.13 0.00 -1.26 -4.15 121.76 133.68 2x9s s ALA 94 Ca 1.01 -1.85 0.20 0.00 0.00 0.00 0.00 51.96 51.32 2x9s s ALA 94 Cb -0.28 -0.46 0.45 0.00 0.00 0.00 0.00 23.12 22.83 2x9s s ALA 94 CO 0.30 0.18 1.38 0.54 0.00 0.00 0.00 175.76 178.16 2x9s n ARG 95 N -0.85 2.50 -3.80 0.00 5.12 -1.26 -4.97 116.66 113.39 2x9s n ARG 95 Ca -0.05 -2.29 -0.12 0.00 -1.93 0.00 0.00 57.85 53.45 2x9s n ARG 95 Cb 0.61 -1.47 -0.09 0.00 -1.16 0.00 0.00 32.46 30.35 2x9s n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2x9s s ARG 96 N -1.22 0.61 0.04 5.56 1.70 -1.26 -5.10 118.95 119.27 2x9s s ARG 96 Ca 0.38 -0.29 -0.22 0.00 -0.47 0.00 0.00 55.73 55.13 2x9s s ARG 96 Cb 0.21 0.26 -0.12 0.00 -0.57 0.00 0.00 34.95 34.74 2x9s s ARG 96 CO 0.28 -0.16 1.33 0.00 -1.08 0.00 0.00 175.30 175.67 2x9s h ALA 97 N 3.97 -1.17 -2.99 7.88 0.00 -1.97 -3.41 119.26 121.58 2x9s h ALA 97 Ca -0.30 -0.16 -0.62 0.00 0.00 0.00 0.00 54.91 53.83 2x9s h ALA 97 Cb 1.18 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 19.20 2x9s h ALA 97 CO 0.41 -1.12 -0.40 0.15 0.00 0.00 0.00 179.25 178.28 2x9s s LYS 98 N -4.73 4.09 -0.57 0.00 3.01 -1.26 -4.76 119.74 115.53 2x9s s LYS 98 Ca -0.11 -0.11 0.07 0.00 -1.01 0.00 0.00 55.97 54.80 2x9s s LYS 98 Cb 0.01 -3.55 0.27 0.00 -1.01 0.00 0.00 37.83 33.56 2x9s s LYS 98 CO 0.35 0.00 0.75 1.47 0.51 0.00 0.00 175.35 178.43 2x9s n LEU 99 N 4.43 3.11 0.07 3.17 -0.00 -1.01 -4.81 117.00 121.97 2x9s n LEU 99 Ca -0.13 -5.34 0.12 0.00 -0.00 0.00 0.00 56.01 50.67 2x9s n LEU 99 Cb 0.52 -0.33 0.46 0.00 -0.00 0.00 0.00 43.42 44.06 2x9s n LEU 99 CO 0.37 2.14 0.88 -1.22 -0.00 0.00 0.00 177.39 179.55 2x9s n TYR 100 N 0.69 0.58 0.23 1.47 4.02 -1.26 -3.55 117.16 119.34 2x9s n TYR 100 Ca 0.28 0.19 0.17 0.00 -0.01 0.00 0.00 57.90 58.53 2x9s n TYR 100 Cb 0.44 -0.81 0.77 0.00 -0.02 0.00 0.00 39.34 39.72 2x9s n TYR 100 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2x9s h PHE 101 N 0.00 0.00 -0.10 -0.72 -0.00 -1.97 -0.39 116.94 113.76 2x9s h PHE 101 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.88 2x9s h PHE 101 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.47 2x9s h PHE 101 CO 0.00 0.00 -0.36 -0.84 -0.00 0.00 0.00 178.31 177.11 2x9s h ILE 102 N 0.00 1.28 -0.18 0.88 3.07 -1.94 -3.13 117.51 117.49 2x9s h ILE 102 Ca 0.08 -1.36 0.05 0.00 1.55 0.00 0.00 64.86 65.18 2x9s h ILE 102 Cb 0.88 1.61 -0.01 0.00 -0.27 0.00 0.00 36.82 39.03 2x9s h ILE 102 CO -0.00 0.40 0.70 0.03 -1.05 0.00 0.00 178.15 178.23 2x9s h ARG 103 N 0.17 0.00 -0.26 0.16 3.08 -1.35 0.61 114.38 116.79 2x9s h ARG 103 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2x9s h ARG 103 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2x9s h ARG 103 CO 0.05 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.04 2x9s n ASN 104 N -2.89 2.66 -2.74 7.04 3.02 -1.18 -4.60 115.26 116.57 2x9s n ASN 104 Ca 0.03 -1.91 -0.03 0.00 -0.03 0.00 0.00 54.58 52.64 2x9s n ASN 104 Cb 0.78 -0.17 0.09 0.00 -0.61 0.00 0.00 39.78 39.86 2x9s n ASN 104 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2x9s n LEU 105 N 0.41 -0.06 -4.56 3.41 4.77 0.18 -5.09 117.00 116.06 2x9s n LEU 105 Ca 0.09 -3.23 -0.39 0.00 -0.03 0.00 0.00 56.01 52.46 2x9s n LEU 105 Cb 0.38 0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 2x9s n LEU 105 CO 0.07 1.47 1.66 -0.94 -1.33 0.00 0.00 177.39 178.32 2x9s s SER 106 N -2.36 5.23 0.00 -1.43 1.04 -1.04 -3.70 113.70 111.44 2x9s s SER 106 Ca 0.19 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2x9s s SER 106 Cb 0.40 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2x9s s SER 106 CO -0.07 -2.35 0.00 -0.90 0.98 0.00 0.00 173.24 170.89 2x9s n ASP 107 N 12.87 0.05 0.15 7.02 5.75 -1.26 -4.96 116.55 136.17 2x9s n ASP 107 Ca 0.23 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 55.05 2x9s n ASP 107 Cb 0.52 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.73 2x9s n ASP 107 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2x9s h ARG 108 N 0.00 0.00 -0.70 0.11 0.11 -2.00 -3.07 114.38 108.83 2x9s h ARG 108 Ca 0.00 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 2x9s h ARG 108 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 2x9s h ARG 108 CO 0.00 0.48 0.18 0.93 0.10 0.00 0.00 179.97 181.66 2x9s h GLU 109 N 0.00 1.11 -0.08 0.08 5.08 -1.94 0.11 114.58 118.95 2x9s h GLU 109 Ca -0.00 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2x9s h GLU 109 Cb 1.25 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2x9s h GLU 109 CO 0.06 0.98 -0.09 0.82 -1.00 0.00 0.00 179.01 179.78 2x9s h ILE 110 N 1.05 0.74 -0.70 3.13 1.08 -1.61 -0.48 117.51 120.72 2x9s h ILE 110 Ca 0.22 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.76 2x9s h ILE 110 Cb 0.36 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 2x9s h ILE 110 CO 0.00 0.00 0.46 0.03 -0.69 0.00 0.00 178.15 177.95 2x9s h ARG 111 N -0.13 0.66 -0.26 2.37 3.08 -1.31 0.25 114.38 119.04 2x9s h ARG 111 Ca 0.06 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 2x9s h ARG 111 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2x9s h ARG 111 CO -0.15 0.43 -0.39 -0.09 -1.07 0.00 0.00 179.97 178.70 2x9s h ARG 112 N 0.68 0.60 0.22 0.04 2.43 0.39 -3.25 114.38 115.48 2x9s h ARG 112 Ca 0.31 -0.30 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 2x9s h ARG 112 Cb 0.33 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2x9s h ARG 112 CO -0.10 0.90 -1.34 0.87 -1.51 0.00 0.00 179.97 178.79 2x9s h LYS 113 N 0.50 0.46 -4.27 0.20 1.79 -0.37 -3.41 116.57 111.47 2x9s h LYS 113 Ca 0.04 -0.79 -0.75 0.00 -2.18 0.00 0.00 60.65 56.98 2x9s h LYS 113 Cb 0.90 0.29 -0.23 0.00 -1.58 0.00 0.00 32.23 31.62 2x9s h LYS 113 CO 0.08 1.38 0.18 -0.51 -1.08 0.00 0.00 179.45 179.49 2x9s s LEU 114 N -7.64 6.07 0.34 2.94 1.43 0.81 -4.75 118.68 117.88 2x9s s LEU 114 Ca -0.11 -2.16 0.08 0.00 -1.03 0.00 0.00 54.13 50.92 2x9s s LEU 114 Cb 0.03 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2x9s s LEU 114 CO 0.90 -0.82 0.11 -0.13 0.23 0.00 0.00 176.35 176.64 2x9s s ARG 115 N 1.39 2.29 0.10 1.70 1.81 -1.26 -4.64 118.95 120.34 2x9s s ARG 115 Ca 0.17 -1.61 -0.34 0.00 -1.72 0.00 0.00 55.73 52.23 2x9s s ARG 115 Cb -0.16 -2.11 -0.13 0.00 -0.45 0.00 0.00 34.95 32.11 2x9s s ARG 115 CO -0.04 0.10 1.69 0.00 -0.68 0.00 0.00 175.30 176.37 2x9s n ALA 116 N -1.11 1.41 -2.32 2.13 0.00 -1.26 -2.23 120.51 117.13 2x9s n ALA 116 Ca -0.03 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2x9s n ALA 116 Cb 0.62 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.65 2x9s n ALA 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2x9s n ASP 117 N 4.46 5.16 -0.28 0.00 -0.08 -1.26 -4.82 116.55 119.72 2x9s n ASP 117 Ca 0.18 -3.11 0.05 0.00 -1.51 0.00 0.00 54.79 50.40 2x9s n ASP 117 Cb 0.30 -1.47 0.11 0.00 2.34 0.00 0.00 41.12 42.40 2x9s n ASP 117 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2x9s n ARG 118 N 3.80 -0.07 -0.03 -0.67 5.12 -1.26 -0.36 116.66 123.18 2x9s n ARG 118 Ca 0.40 1.23 -0.15 0.00 -1.93 0.00 0.00 57.85 57.41 2x9s n ARG 118 Cb 0.36 -1.84 -0.10 0.00 -1.16 0.00 0.00 32.46 29.72 2x9s n ARG 118 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2x9s h LYS 119 N 0.00 -0.52 0.00 5.56 3.64 -1.99 0.13 116.57 123.38 2x9s h LYS 119 Ca 0.38 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2x9s h LYS 119 Cb 0.57 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2x9s h LYS 119 CO -0.81 -0.35 0.00 0.54 -2.27 0.00 0.00 179.45 176.56 2x9s n ARG 120 N -5.37 0.13 0.01 1.90 1.74 0.51 -3.01 116.66 112.57 2x9s n ARG 120 Ca -0.06 0.39 -0.21 0.00 -0.77 0.00 0.00 57.85 57.20 2x9s n ARG 120 Cb 0.37 -1.77 -0.14 0.00 -1.02 0.00 0.00 32.46 29.90 2x9s n ARG 120 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2x9s h ILE 121 N 0.00 1.03 -0.86 0.55 2.04 0.90 -3.29 117.51 117.89 2x9s h ILE 121 Ca 0.00 -2.40 0.08 0.00 1.00 0.00 0.00 64.86 63.54 2x9s h ILE 121 Cb 0.30 2.72 -0.06 0.00 -0.74 0.00 0.00 36.82 39.04 2x9s h ILE 121 CO 0.00 0.71 0.56 0.44 0.00 0.00 0.00 178.15 179.86 2x9s h ASP 122 N -0.29 0.80 0.67 1.72 3.32 -0.75 -0.77 116.42 121.11 2x9s h ASP 122 Ca -0.30 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.66 2x9s h ASP 122 Cb 1.77 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.15 2x9s h ASP 122 CO 0.06 0.50 -0.47 0.06 -1.72 0.00 0.00 179.24 177.67 2x9s h GLN 123 N 0.90 0.00 0.00 3.56 3.07 -1.71 -2.19 115.11 118.74 2x9s h GLN 123 Ca 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.09 2x9s h GLN 123 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.87 2x9s h GLN 123 CO -0.15 0.47 -0.17 -0.44 0.09 0.00 0.00 178.83 178.63 2x9s h ASP 124 N 0.00 0.00 0.00 0.06 3.32 -1.21 0.22 116.42 118.81 2x9s h ASP 124 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x9s h ASP 124 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2x9s h ASP 124 CO 0.06 0.17 0.00 0.54 -1.72 0.00 0.00 179.24 178.29 2x9s n ARG 125 N -3.70 0.00 -0.31 3.56 5.12 -0.91 -4.05 116.66 116.37 2x9s n ARG 125 Ca -0.02 0.00 0.29 0.00 -1.93 0.00 0.00 57.85 56.19 2x9s n ARG 125 Cb 0.29 -0.60 0.51 0.00 -1.16 0.00 0.00 32.46 31.50 2x9s n ARG 125 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2x9s n ALA 126 N -0.67 0.95 0.68 7.54 0.00 -0.87 0.17 120.51 128.30 2x9s n ALA 126 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.22 2x9s n ALA 126 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2x9s n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x9s n ALA 127 N -2.46 1.83 0.06 0.00 0.00 0.78 -3.23 120.51 117.50 2x9s n ALA 127 Ca 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.61 2x9s n ALA 127 Cb 1.14 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 2x9s n ALA 127 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2x9s h GLU 128 N 0.02 0.46 -7.22 0.00 -0.00 0.15 -3.48 114.58 104.50 2x9s h GLU 128 Ca 0.00 -0.50 -0.26 0.00 -0.00 0.00 0.00 59.36 58.60 2x9s h GLU 128 Cb 0.00 0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 28.89 2x9s h GLU 128 CO 0.00 1.15 -0.43 -2.13 -0.00 0.00 0.00 179.01 177.60 2x9s n ARG 129 N -3.76 -0.70 -0.56 1.06 3.00 -1.20 -4.71 116.66 109.80 2x9s n ARG 129 Ca -0.08 -0.28 -0.07 0.00 -0.00 0.00 0.00 57.85 57.42 2x9s n ARG 129 Cb 0.85 -0.49 0.03 0.00 0.00 0.00 0.00 32.46 32.85 2x9s n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2x9s n ALA 130 N -2.68 4.11 -2.34 5.13 0.00 -1.26 -4.80 120.51 118.67 2x9s n ALA 130 Ca -0.05 -0.76 -0.35 0.00 0.00 0.00 0.00 53.44 52.27 2x9s n ALA 130 Cb 0.24 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 2x9s n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x9s s ALA 131 N -0.85 2.44 -0.79 0.00 0.00 -1.26 -4.83 121.76 116.47 2x9s s ALA 131 Ca 0.14 -2.25 -0.21 0.00 0.00 0.00 0.00 51.96 49.64 2x9s s ALA 131 Cb 0.12 -4.60 -0.15 0.00 0.00 0.00 0.00 23.12 18.48 2x9s s ALA 131 CO 0.01 -4.17 1.94 1.63 0.00 0.00 0.00 175.76 175.17 2x9s n LYS 132 N 8.61 1.55 -3.07 0.00 5.02 -1.26 -4.81 118.16 124.19 2x9s n LYS 132 Ca 0.42 -1.84 -0.45 0.00 -2.02 0.00 0.00 58.31 54.42 2x9s n LYS 132 Cb 0.48 -2.90 -0.02 0.00 -0.02 0.00 0.00 35.03 32.56 2x9s n LYS 132 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2x9s s GLU 133 N 4.90 3.73 -0.18 1.97 2.12 -1.26 -4.93 118.70 125.04 2x9s s GLU 133 Ca 0.56 -2.20 -0.04 0.00 0.36 0.00 0.00 54.97 53.65 2x9s s GLU 133 Cb 0.14 -4.78 0.08 0.00 0.26 0.00 0.00 34.13 29.84 2x9s s GLU 133 CO 0.11 -1.60 0.21 -2.00 -0.54 0.00 0.00 175.26 171.44 2x9s s GLU 134 N 1.50 0.16 -0.26 4.30 2.56 -1.26 -4.83 118.70 120.87 2x9s s GLU 134 Ca 0.30 0.26 0.00 0.00 0.00 0.00 0.00 54.97 55.53 2x9s s GLU 134 Cb -0.06 -1.08 0.00 0.00 2.00 0.00 0.00 34.13 34.99 2x9s s GLU 134 CO -0.08 -0.60 0.00 0.00 -0.56 0.00 0.00 175.26 174.03 2x9s n ALA 135 N 5.32 -0.07 0.00 6.30 0.00 -1.26 -4.94 120.51 125.86 2x9s n ALA 135 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 2x9s n ALA 135 Cb 0.50 -0.72 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 2x9s n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2x9s n GLN 136 N -1.89 0.00 -2.44 0.00 -0.06 -1.26 -4.86 117.38 106.87 2x9s n GLN 136 Ca -0.03 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.56 2x9s n GLN 136 Cb 0.36 -0.08 0.01 0.00 -4.06 0.00 0.00 30.24 26.48 2x9s n GLN 136 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2x9s n LYS 137 N -2.54 5.16 0.00 3.69 4.81 -1.26 -5.21 118.16 122.81 2x9s n LYS 137 Ca -0.00 -4.30 0.00 0.00 -0.87 0.00 0.00 58.31 53.14 2x9s n LYS 137 Cb 0.00 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 32.54 2x9s n LYS 137 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57