#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n s GLU 2 N 0.00 0.99 -0.35 2.12 0.41 -1.26 -1.77 118.70 118.84 3i1n s GLU 2 Ca 0.00 -0.63 -0.02 0.00 -0.41 0.00 0.00 54.97 53.91 3i1n s GLU 2 Cb 0.00 -0.98 0.08 0.00 -1.78 0.00 0.00 34.13 31.45 3i1n s GLU 2 CO 0.00 0.25 0.10 -0.51 -0.49 0.00 0.00 175.26 174.61 3i1n s LEU 3 N -0.78 4.55 -0.52 1.80 1.43 -1.26 -4.83 118.68 119.07 3i1n s LEU 3 Ca 0.03 -1.62 -0.30 0.00 -1.03 0.00 0.00 54.13 51.21 3i1n s LEU 3 Cb -0.07 -1.77 -0.11 0.00 0.03 0.00 0.00 46.19 44.27 3i1n s LEU 3 CO 0.00 -0.39 2.39 0.52 0.23 0.00 0.00 176.35 179.10 3i1n n VAL 4 N 4.61 0.05 -1.69 -1.59 0.31 -1.26 -1.96 118.33 116.81 3i1n n VAL 4 Ca -0.08 -0.46 -0.18 0.00 -0.01 0.00 0.00 64.34 63.62 3i1n n VAL 4 Cb 0.43 -2.00 -0.06 0.00 -0.91 0.00 0.00 33.84 31.30 3i1n n VAL 4 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i1n s LEU 5 N 9.82 2.97 0.00 7.52 1.43 -1.26 -4.68 118.68 134.47 3i1n s LEU 5 Ca 1.09 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 3i1n s LEU 5 Cb -0.60 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3i1n s LEU 5 CO 0.38 -3.55 0.00 1.17 0.23 0.00 0.00 176.35 174.58 3i1n n LYS 6 N 8.85 0.00 0.00 1.70 4.81 -0.95 -2.37 118.16 130.20 3i1n n LYS 6 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 3i1n n LYS 6 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 3i1n n LYS 6 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3i1n n ASP 7 N 0.38 0.00 -3.87 3.14 3.85 -1.26 -4.79 116.55 114.00 3i1n n ASP 7 Ca 0.00 0.17 -0.06 0.00 -0.71 0.00 0.00 54.79 54.19 3i1n n ASP 7 Cb 0.00 -0.42 -0.02 0.00 -1.35 0.00 0.00 41.12 39.34 3i1n n ASP 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i1n n ALA 8 N -2.10 0.12 -0.96 2.12 0.00 -1.00 -4.74 120.51 113.95 3i1n n ALA 8 Ca 0.00 -0.72 -0.39 0.00 0.00 0.00 0.00 53.44 52.33 3i1n n ALA 8 Cb 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 3i1n n ALA 8 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i1n n GLN 9 N 4.00 0.00 0.00 0.00 -0.06 -1.25 -4.66 117.38 115.40 3i1n n GLN 9 Ca 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.06 3i1n n GLN 9 Cb 0.24 -0.88 0.00 0.00 -4.06 0.00 0.00 30.24 25.54 3i1n n GLN 9 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3i1n n SER 10 N 2.87 0.00 -1.89 1.69 2.88 -1.26 -4.98 113.62 112.94 3i1n n SER 10 Ca 0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 3i1n n SER 10 Cb -0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 3i1n n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1n n ALA 11 N -1.36 -2.03 -0.10 -1.46 0.00 -1.22 -4.90 120.51 109.44 3i1n n ALA 11 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 3i1n n ALA 11 Cb 0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 17.83 3i1n n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1n n LEU 12 N 0.53 0.56 -1.86 0.00 -0.00 -0.83 -4.79 117.00 110.61 3i1n n LEU 12 Ca 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 56.01 56.01 3i1n n LEU 12 Cb 0.00 0.24 -0.02 0.00 -0.00 0.00 0.00 43.42 43.64 3i1n n LEU 12 CO 0.00 0.56 -0.25 0.41 -0.00 0.00 0.00 177.39 178.11 3i1n n THR 13 N -2.86 -6.77 -4.31 1.96 -1.04 -1.26 -4.88 114.28 95.12 3i1n n THR 13 Ca -0.34 1.10 -0.17 0.00 -2.04 0.00 0.00 64.05 62.61 3i1n n THR 13 Cb 1.12 -4.61 -0.10 0.00 -1.82 0.00 0.00 70.33 64.92 3i1n n THR 13 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i1n s VAL 14 N -0.25 1.25 -0.09 12.58 -7.23 -0.73 -4.98 120.40 120.96 3i1n s VAL 14 Ca -0.10 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 57.70 3i1n s VAL 14 Cb 0.01 -2.12 -0.06 0.00 0.56 0.00 0.00 36.38 34.77 3i1n s VAL 14 CO 0.26 -0.52 1.85 -0.44 -0.31 0.00 0.00 175.10 175.94 3i1n s SER 15 N -3.27 6.33 0.59 4.85 0.01 -1.26 -4.65 113.70 116.30 3i1n s SER 15 Ca 0.23 2.20 0.32 0.00 1.31 0.00 0.00 55.95 60.00 3i1n s SER 15 Cb 0.03 -2.53 1.85 0.00 0.21 0.00 0.00 66.02 65.59 3i1n s SER 15 CO 0.06 -1.22 2.24 -0.08 0.41 0.00 0.00 173.24 174.65 3i1n h GLU 16 N 11.09 0.00 0.00 12.44 4.81 -1.96 -1.08 114.58 139.88 3i1n h GLU 16 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3i1n h GLU 16 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3i1n h GLU 16 CO 0.96 0.02 0.00 0.25 -0.73 0.00 0.00 179.01 179.51 3i1n n THR 17 N -3.69 0.51 -0.16 0.32 -2.24 -1.26 -0.30 114.28 107.46 3i1n n THR 17 Ca -0.03 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i1n n THR 17 Cb 0.11 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 3i1n n THR 17 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i1n n THR 18 N -1.80 0.89 -0.76 4.28 -2.24 -0.42 -4.54 114.28 109.69 3i1n n THR 18 Ca 0.05 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3i1n n THR 18 Cb 0.30 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3i1n n THR 18 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i1n n PHE 19 N -0.46 0.00 -2.34 4.78 3.72 -1.12 -4.24 117.46 117.79 3i1n n PHE 19 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 3i1n n PHE 19 Cb 0.29 0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.88 3i1n n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i1n n GLY 20 N 0.00 1.40 3.93 1.37 0.00 0.59 -4.54 105.19 107.93 3i1n n GLY 20 Ca 0.00 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 3i1n n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1n s ARG 21 N -0.35 3.30 0.43 1.61 1.70 -1.19 -4.87 118.95 119.57 3i1n s ARG 21 Ca 0.31 -0.13 -0.23 0.00 -0.47 0.00 0.00 55.73 55.22 3i1n s ARG 21 Cb 0.35 -2.47 -0.09 0.00 -0.57 0.00 0.00 34.95 32.17 3i1n s ARG 21 CO -0.14 -0.23 1.03 -0.51 -1.08 0.00 0.00 175.30 174.36 3i1n s ASP 22 N -4.15 6.68 -0.46 -2.89 1.01 -1.26 -4.77 116.67 110.83 3i1n s ASP 22 Ca 0.47 1.95 -0.29 0.00 0.71 0.00 0.00 52.55 55.39 3i1n s ASP 22 Cb -0.10 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.29 3i1n s ASP 22 CO 0.41 -0.54 1.13 0.12 0.21 0.00 0.00 175.17 176.50 3i1n s PHE 23 N -1.82 2.85 -1.14 4.23 5.36 -1.26 -4.90 117.98 121.30 3i1n s PHE 23 Ca 0.61 0.77 -0.16 0.00 -0.96 0.00 0.00 56.93 57.18 3i1n s PHE 23 Cb -0.18 -4.35 0.14 0.00 -0.34 0.00 0.00 43.02 38.28 3i1n s PHE 23 CO 0.23 -1.21 1.41 1.21 -1.46 0.00 0.00 175.22 175.40 3i1n s ASN 24 N 2.37 6.89 0.32 6.13 3.04 -1.26 -4.86 114.94 127.57 3i1n s ASN 24 Ca 0.48 -2.57 0.03 0.00 0.04 0.00 0.00 52.86 50.84 3i1n s ASN 24 Cb -0.08 -2.44 0.63 0.00 -1.54 0.00 0.00 41.25 37.82 3i1n s ASN 24 CO 0.30 -0.94 1.91 -0.08 -3.04 0.00 0.00 177.10 175.25 3i1n h GLU 25 N 7.81 0.88 0.09 0.43 4.81 -2.00 -1.80 114.58 124.79 3i1n h GLU 25 Ca 0.29 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3i1n h GLU 25 Cb 0.92 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3i1n h GLU 25 CO 1.26 0.58 -0.04 0.00 -0.73 0.00 0.00 179.01 180.08 3i1n h ALA 26 N 1.55 -0.11 -0.12 2.92 0.00 -2.00 -1.55 119.26 119.95 3i1n h ALA 26 Ca 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3i1n h ALA 26 Cb 0.31 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i1n h ALA 26 CO -0.15 -0.53 0.07 1.25 0.00 0.00 0.00 179.25 179.89 3i1n h LEU 27 N -0.19 0.11 -1.33 0.00 5.85 -1.77 -1.84 115.31 116.15 3i1n h LEU 27 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3i1n h LEU 27 Cb 0.15 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3i1n h LEU 27 CO 0.02 0.08 0.12 1.62 -0.34 0.00 0.00 178.44 179.95 3i1n h VAL 28 N 0.15 1.17 0.56 1.05 3.04 -1.30 -1.80 116.25 119.12 3i1n h VAL 28 Ca 0.05 -0.58 -0.02 0.00 -1.01 0.00 0.00 66.70 65.14 3i1n h VAL 28 Cb -0.01 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 30.00 3i1n h VAL 28 CO -0.02 0.22 -0.34 -0.74 -1.01 0.00 0.00 177.57 175.67 3i1n h HIS 29 N 0.58 -0.91 -0.75 3.17 -0.00 -0.77 -0.90 115.15 115.58 3i1n h HIS 29 Ca 0.14 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.66 3i1n h HIS 29 Cb 0.18 0.32 -0.11 0.00 -0.00 0.00 0.00 27.41 27.80 3i1n h HIS 29 CO 0.01 -0.52 0.18 0.37 -0.00 0.00 0.00 177.93 177.96 3i1n h GLN 30 N -0.86 0.25 0.07 5.26 4.15 -0.55 -0.26 115.11 123.18 3i1n h GLN 30 Ca -0.07 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3i1n h GLN 30 Cb 0.70 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.33 3i1n h GLN 30 CO 0.07 0.17 -0.03 0.28 -1.93 0.00 0.00 178.83 177.38 3i1n h VAL 31 N 0.26 1.08 0.34 2.39 2.07 -1.13 -0.96 116.25 120.30 3i1n h VAL 31 Ca 0.43 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3i1n h VAL 31 Cb 0.74 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3i1n h VAL 31 CO -0.53 0.13 -0.27 -0.37 0.02 0.00 0.00 177.57 176.55 3i1n h VAL 32 N -0.33 0.43 -0.54 2.57 -1.51 -0.56 -0.90 116.25 115.41 3i1n h VAL 32 Ca -0.01 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.56 3i1n h VAL 32 Cb 0.28 0.43 -0.11 0.00 -2.13 0.00 0.00 31.29 29.77 3i1n h VAL 32 CO 0.02 0.00 -0.33 0.58 -1.23 0.00 0.00 177.57 176.60 3i1n h VAL 33 N -0.62 0.19 -0.04 7.19 2.07 -1.13 0.13 116.25 124.04 3i1n h VAL 33 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3i1n h VAL 33 Cb 0.54 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3i1n h VAL 33 CO -0.01 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.68 3i1n h ALA 34 N 0.94 1.33 0.18 1.67 0.00 -0.67 -0.66 119.26 122.04 3i1n h ALA 34 Ca 0.22 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.78 3i1n h ALA 34 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3i1n h ALA 34 CO -0.64 -0.12 -1.71 -0.92 0.00 0.00 0.00 179.25 175.86 3i1n h TYR 35 N 0.00 0.69 0.00 0.00 5.03 0.61 -3.28 116.97 120.02 3i1n h TYR 35 Ca 0.02 -0.50 -0.10 0.00 2.58 0.00 0.00 58.73 60.72 3i1n h TYR 35 Cb 0.21 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 3i1n h TYR 35 CO 0.00 1.63 -0.49 0.00 -1.32 0.00 0.00 178.16 177.97 3i1n h ALA 36 N 0.18 1.07 -2.37 1.82 0.00 -0.34 -3.11 119.26 116.52 3i1n h ALA 36 Ca -0.33 -0.45 -0.49 0.00 0.00 0.00 0.00 54.91 53.64 3i1n h ALA 36 Cb 2.09 -0.08 0.06 0.00 0.00 0.00 0.00 17.79 19.87 3i1n h ALA 36 CO 0.18 0.62 0.38 0.00 0.00 0.00 0.00 179.25 180.43 3i1n s ALA 37 N -3.74 2.72 0.00 0.00 0.00 -0.34 -2.83 121.76 117.57 3i1n s ALA 37 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3i1n s ALA 37 Cb 0.13 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3i1n s ALA 37 CO 0.73 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3i1n n GLY 38 N -0.83 1.65 0.05 0.00 0.00 -1.25 -4.43 105.19 100.37 3i1n n GLY 38 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3i1n n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1n n ALA 39 N 0.45 2.09 -1.77 4.61 0.00 -1.13 -4.83 120.51 119.93 3i1n n ALA 39 Ca 0.00 -0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 3i1n n ALA 39 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 3i1n n ALA 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i1n s ARG 40 N -3.08 4.44 0.26 0.00 0.52 -1.24 -5.09 118.95 114.76 3i1n s ARG 40 Ca 0.10 1.61 0.07 0.00 -0.52 0.00 0.00 55.73 56.99 3i1n s ARG 40 Cb 0.14 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 3i1n s ARG 40 CO 0.48 0.08 0.23 1.14 0.02 0.00 0.00 175.30 177.24 3i1n s GLN 41 N -1.94 2.97 0.00 3.54 -2.07 -1.26 -4.78 119.66 116.11 3i1n s GLN 41 Ca 0.51 -1.04 0.00 0.00 -1.82 0.00 0.00 55.36 53.00 3i1n s GLN 41 Cb -0.26 -2.59 0.00 0.00 -1.09 0.00 0.00 33.01 29.07 3i1n s GLN 41 CO 0.33 0.37 0.00 0.41 -1.32 0.00 0.00 175.29 175.08 3i1n n GLY 42 N -1.23 1.87 2.19 2.60 0.00 -1.24 -4.97 105.19 104.42 3i1n n GLY 42 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 3i1n n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1n n THR 43 N 0.00 -7.88 -3.65 2.61 -2.24 -1.26 -4.86 114.28 96.99 3i1n n THR 43 Ca 0.00 1.12 -0.12 0.00 -2.27 0.00 0.00 64.05 62.78 3i1n n THR 43 Cb 0.00 -5.64 -0.08 0.00 -2.10 0.00 0.00 70.33 62.51 3i1n n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i1n s ARG 44 N -0.92 0.73 0.00 -0.78 1.81 -1.26 -4.98 118.95 113.54 3i1n s ARG 44 Ca -0.02 0.95 0.00 0.00 -1.72 0.00 0.00 55.73 54.94 3i1n s ARG 44 Cb 0.00 0.30 0.00 0.00 -0.45 0.00 0.00 34.95 34.81 3i1n s ARG 44 CO 0.45 -0.10 0.00 0.00 -0.68 0.00 0.00 175.30 174.97 3i1n n ALA 45 N 3.10 0.00 -0.71 2.13 0.00 -1.26 -4.04 120.51 119.74 3i1n n ALA 45 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3i1n n ALA 45 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3i1n n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n GLN 46 N 0.00 0.00 -4.11 0.00 0.00 -1.26 -4.12 117.38 107.88 3i1n n GLN 46 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.00 56.70 3i1n n GLN 46 Cb 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 30.24 29.82 3i1n n GLN 46 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3i1n s LYS 47 N -1.96 2.61 0.22 2.61 1.02 -1.26 -4.37 119.74 118.61 3i1n s LYS 47 Ca 0.00 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.21 3i1n s LYS 47 Cb 0.00 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 3i1n s LYS 47 CO 0.00 0.54 0.32 0.95 -0.92 0.00 0.00 175.35 176.24 3i1n s THR 48 N -1.36 5.13 0.59 2.17 -4.23 -1.25 -4.25 115.64 112.45 3i1n s THR 48 Ca 0.27 -1.00 0.32 0.00 -1.18 0.00 0.00 61.69 60.09 3i1n s THR 48 Cb -0.12 -3.76 0.46 0.00 1.34 0.00 0.00 72.50 70.42 3i1n s THR 48 CO 0.19 -0.29 1.47 0.08 -0.54 0.00 0.00 174.62 175.54 3i1n h ARG 49 N 1.41 0.00 -0.70 3.99 0.11 -1.78 2.12 114.38 119.53 3i1n h ARG 49 Ca -0.51 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.55 3i1n h ARG 49 Cb 1.22 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.27 3i1n h ARG 49 CO 0.62 0.00 0.37 0.00 0.10 0.00 0.00 179.97 181.06 3i1n h ALA 50 N 0.81 1.33 -0.32 0.08 0.00 -1.91 -3.31 119.26 115.94 3i1n h ALA 50 Ca 0.53 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 55.07 3i1n h ALA 50 Cb 2.76 -0.28 -0.24 0.00 0.00 0.00 0.00 17.79 20.03 3i1n h ALA 50 CO -0.01 0.54 -0.73 -0.85 0.00 0.00 0.00 179.25 178.20 3i1n n GLU 51 N -4.36 2.20 -3.93 0.00 0.28 0.72 -4.98 120.64 110.57 3i1n n GLU 51 Ca 0.07 -3.51 -0.35 0.00 -0.16 0.00 0.00 57.16 53.21 3i1n n GLU 51 Cb 0.11 -1.70 -0.14 0.00 1.43 0.00 0.00 31.44 31.14 3i1n n GLU 51 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3i1n s VAL 52 N -3.46 3.05 -0.44 3.84 1.01 -1.19 -4.69 120.40 118.52 3i1n s VAL 52 Ca 0.41 -0.91 -0.43 0.00 0.00 0.00 0.00 61.98 61.05 3i1n s VAL 52 Cb 0.38 -2.53 -0.18 0.00 0.00 0.00 0.00 36.38 34.06 3i1n s VAL 52 CO -0.04 0.22 1.89 0.41 0.00 0.00 0.00 175.10 177.58 3i1n n THR 53 N 4.71 0.08 -2.37 3.92 -1.04 -1.26 -4.72 114.28 113.60 3i1n n THR 53 Ca -0.17 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 3i1n n THR 53 Cb 0.48 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 3i1n n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1n n GLY 54 N 5.57 0.98 3.24 3.41 0.00 -1.26 -5.09 105.19 112.04 3i1n n GLY 54 Ca 0.40 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3i1n n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1n s SER 55 N 2.00 0.09 0.00 1.61 1.04 -1.26 -5.04 113.70 112.13 3i1n s SER 55 Ca 0.00 -0.70 0.19 0.00 0.48 0.00 0.00 55.95 55.92 3i1n s SER 55 Cb 0.00 0.37 0.82 0.00 0.10 0.00 0.00 66.02 67.31 3i1n s SER 55 CO 0.00 -0.78 1.60 0.61 0.98 0.00 0.00 173.24 175.66 3i1n n GLY 56 N -0.11 -1.13 3.73 7.32 0.00 -1.26 -4.68 105.19 109.07 3i1n n GLY 56 Ca -0.13 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3i1n n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1n s LYS 57 N -2.96 4.22 -0.30 1.61 2.20 -1.26 -4.85 119.74 118.41 3i1n s LYS 57 Ca 0.10 2.37 -0.28 0.00 -0.36 0.00 0.00 55.97 57.79 3i1n s LYS 57 Cb 0.12 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 3i1n s LYS 57 CO 0.34 -0.54 1.89 0.21 -0.36 0.00 0.00 175.35 176.88 3i1n s LYS 58 N 0.37 3.31 0.20 4.03 2.20 -1.26 -4.60 119.74 124.00 3i1n s LYS 58 Ca 0.65 1.58 -0.05 0.00 -0.36 0.00 0.00 55.97 57.80 3i1n s LYS 58 Cb -0.44 -4.23 0.34 0.00 -1.51 0.00 0.00 37.83 32.00 3i1n s LYS 58 CO 0.38 -1.88 1.08 -2.30 -0.36 0.00 0.00 175.35 172.27 3i1n n PRO 59 N 8.47 -0.06 -1.50 4.03 -0.02 -1.26 -4.67 135.00 139.99 3i1n n PRO 59 Ca 0.24 1.07 -0.01 0.00 -2.02 0.00 0.00 63.50 62.79 3i1n n PRO 59 Cb 0.46 -1.62 -0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3i1n n PRO 59 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3i1n n TRP 60 N -5.10 -0.74 -1.87 6.00 2.14 -1.26 -5.14 117.44 111.46 3i1n n TRP 60 Ca 0.12 -0.14 -0.31 0.00 2.07 0.00 0.00 57.50 59.24 3i1n n TRP 60 Cb 0.37 0.04 0.01 0.00 -0.81 0.00 0.00 31.31 30.92 3i1n n TRP 60 CO 0.00 0.00 0.00 1.03 2.07 0.00 0.00 177.69 180.79 3i1n s ARG 61 N -2.03 3.59 0.34 -2.67 0.52 -1.26 -4.89 118.95 112.55 3i1n s ARG 61 Ca 0.02 0.74 0.10 0.00 -0.52 0.00 0.00 55.73 56.07 3i1n s ARG 61 Cb -0.00 -2.08 0.63 0.00 0.52 0.00 0.00 34.95 34.02 3i1n s ARG 61 CO 0.01 -0.58 1.79 0.37 0.02 0.00 0.00 175.30 176.92 3i1n h GLN 62 N -0.32 0.13 -3.47 3.54 5.75 -1.89 -3.43 115.11 115.41 3i1n h GLN 62 Ca -0.44 -0.05 -0.18 0.00 -0.15 0.00 0.00 58.65 57.83 3i1n h GLN 62 Cb 1.19 -0.01 -0.25 0.00 1.07 0.00 0.00 27.48 29.48 3i1n h GLN 62 CO 0.62 0.46 -0.55 0.15 -2.65 0.00 0.00 178.83 176.86 3i1n s LYS 63 N -4.26 0.24 0.00 1.69 1.02 -1.26 -4.57 119.74 112.60 3i1n s LYS 63 Ca -0.04 -0.00 0.00 0.00 0.02 0.00 0.00 55.97 55.95 3i1n s LYS 63 Cb 0.14 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 3i1n s LYS 63 CO 0.74 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.54 3i1n n GLY 64 N 2.55 2.57 3.79 -3.33 0.00 -1.26 -5.05 105.19 104.47 3i1n n GLY 64 Ca -0.16 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 3i1n n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1n s THR 65 N -0.51 3.67 -0.48 2.61 -1.32 -1.26 -4.93 115.64 113.42 3i1n s THR 65 Ca 0.00 1.12 0.18 0.00 -1.21 0.00 0.00 61.69 61.77 3i1n s THR 65 Cb 0.00 -3.50 0.18 0.00 -1.51 0.00 0.00 72.50 67.67 3i1n s THR 65 CO 0.00 -0.15 1.54 0.61 -2.21 0.00 0.00 174.62 174.41 3i1n n GLY 66 N -0.00 -0.91 3.57 6.08 0.00 -1.26 -4.82 105.19 107.86 3i1n n GLY 66 Ca 0.08 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3i1n n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1n s ARG 67 N -3.35 -1.05 -0.32 1.61 1.81 -1.26 -5.00 118.95 111.38 3i1n s ARG 67 Ca 0.00 0.12 -0.09 0.00 -1.72 0.00 0.00 55.73 54.04 3i1n s ARG 67 Cb 0.06 -1.60 0.00 0.00 -0.45 0.00 0.00 34.95 32.97 3i1n s ARG 67 CO 0.21 -3.64 0.14 0.00 -0.68 0.00 0.00 175.30 171.33 3i1n s ALA 68 N -2.90 3.21 0.00 2.13 0.00 -1.26 -4.95 121.76 117.99 3i1n s ALA 68 Ca 0.69 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3i1n s ALA 68 Cb -0.13 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.64 3i1n s ALA 68 CO 0.57 -1.00 0.00 0.54 0.00 0.00 0.00 175.76 175.87 3i1n n ARG 69 N 4.95 0.00 -1.01 0.00 5.12 -1.26 -4.92 116.66 119.54 3i1n n ARG 69 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 3i1n n ARG 69 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 3i1n n ARG 69 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3i1n n SER 70 N 3.45 -5.66 0.00 0.55 3.41 -1.26 -4.56 113.62 109.55 3i1n n SER 70 Ca 0.00 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 3i1n n SER 70 Cb 0.00 -2.76 0.00 0.00 -0.26 0.00 0.00 64.21 61.19 3i1n n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1n n GLY 71 N -1.42 0.00 3.16 5.00 0.00 -1.26 -4.78 105.19 105.90 3i1n n GLY 71 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3i1n n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1n s SER 72 N -0.04 -0.38 0.00 1.61 0.15 -1.26 -4.03 113.70 109.75 3i1n s SER 72 Ca 0.00 0.76 0.03 0.00 0.70 0.00 0.00 55.95 57.43 3i1n s SER 72 Cb 0.00 1.53 0.15 0.00 -1.71 0.00 0.00 66.02 65.99 3i1n s SER 72 CO 0.00 -0.26 0.48 0.00 1.20 0.00 0.00 173.24 174.66 3i1n n ILE 73 N 5.40 0.00 0.84 6.45 3.06 -1.26 0.19 119.36 134.04 3i1n n ILE 73 Ca -0.06 0.00 0.10 0.00 -2.50 0.00 0.00 62.75 60.29 3i1n n ILE 73 Cb 0.50 -0.69 0.08 0.00 0.54 0.00 0.00 39.64 40.07 3i1n n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3i1n n LYS 74 N -0.77 1.78 -1.62 9.51 5.02 -1.26 -4.80 118.16 126.03 3i1n n LYS 74 Ca 0.02 -1.67 -0.49 0.00 -2.02 0.00 0.00 58.31 54.15 3i1n n LYS 74 Cb 0.01 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 3i1n n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i1n n SER 75 N 1.09 2.09 0.00 4.39 2.88 0.13 -3.76 113.62 120.44 3i1n n SER 75 Ca 0.12 1.12 0.05 0.00 -1.33 0.00 0.00 58.87 58.82 3i1n n SER 75 Cb 0.50 -1.28 0.25 0.00 -0.75 0.00 0.00 64.21 62.93 3i1n n SER 75 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3i1n n PRO 76 N 2.56 0.06 -0.05 -1.46 -0.04 -1.26 -0.81 135.00 134.00 3i1n n PRO 76 Ca 0.17 0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.80 3i1n n PRO 76 Cb 0.24 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.05 3i1n n PRO 76 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3i1n n ILE 77 N -1.42 1.52 -1.39 0.52 3.06 -1.26 -4.50 119.36 115.89 3i1n n ILE 77 Ca 0.04 -0.81 -0.35 0.00 -2.50 0.00 0.00 62.75 59.12 3i1n n ILE 77 Cb 0.11 -0.84 0.10 0.00 0.54 0.00 0.00 39.64 39.55 3i1n n ILE 77 CO 0.00 0.00 0.00 0.79 -2.50 0.00 0.00 176.55 174.84 3i1n n TRP 78 N -2.94 1.38 0.00 9.51 5.03 0.01 -5.01 117.44 125.42 3i1n n TRP 78 Ca -0.22 0.41 0.00 0.00 3.03 0.00 0.00 57.50 60.72 3i1n n TRP 78 Cb 1.08 -2.16 0.00 0.00 -1.03 0.00 0.00 31.31 29.20 3i1n n TRP 78 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 3i1n n ARG 79 N -2.45 0.00 -1.37 -0.99 0.63 -1.26 -4.62 116.66 106.59 3i1n n ARG 79 Ca 0.14 0.00 -0.54 0.00 -0.92 0.00 0.00 57.85 56.53 3i1n n ARG 79 Cb 0.49 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.31 3i1n n ARG 79 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3i1n n SER 80 N 0.00 1.59 0.00 6.15 2.88 -1.26 -4.53 113.62 118.45 3i1n n SER 80 Ca 0.00 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 3i1n n SER 80 Cb 0.00 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 3i1n n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1n n GLY 81 N 6.91 1.89 0.00 0.46 0.00 -1.26 -4.79 105.19 108.40 3i1n n GLY 81 Ca 0.47 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3i1n n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1n n GLY 82 N 2.62 -0.59 2.04 -0.02 0.00 -1.25 -4.32 105.19 103.67 3i1n n GLY 82 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 3i1n n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1n n VAL 83 N 0.00 -7.25 -0.12 1.61 0.31 -1.26 -3.38 118.33 108.24 3i1n n VAL 83 Ca 0.00 1.12 -0.03 0.00 -0.01 0.00 0.00 64.34 65.41 3i1n n VAL 83 Cb 0.00 -5.15 0.18 0.00 -0.91 0.00 0.00 33.84 27.97 3i1n n VAL 83 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3i1n h THR 84 N 1.70 1.23 -1.26 2.52 2.02 -1.89 -3.21 112.91 114.02 3i1n h THR 84 Ca -0.15 -0.88 -0.44 0.00 0.77 0.00 0.00 66.41 65.71 3i1n h THR 84 Cb 0.33 0.75 -0.41 0.00 -1.74 0.00 0.00 68.15 67.09 3i1n h THR 84 CO 0.02 0.32 -1.04 0.49 0.37 0.00 0.00 175.52 175.68 3i1n n PHE 85 N -4.25 1.86 -0.88 3.16 3.72 -1.26 -5.02 117.46 114.79 3i1n n PHE 85 Ca 0.03 -2.99 -0.30 0.00 -0.05 0.00 0.00 57.45 54.14 3i1n n PHE 85 Cb 0.25 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.48 3i1n n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i1n n ALA 86 N -0.17 -2.25 -1.79 4.37 0.00 -1.21 -4.91 120.51 114.56 3i1n n ALA 86 Ca 0.20 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.51 3i1n n ALA 86 Cb 0.75 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 3i1n n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n s ALA 87 N -0.74 3.08 0.38 0.00 0.00 -1.26 -5.03 121.76 118.18 3i1n s ALA 87 Ca 0.40 0.66 0.08 0.00 0.00 0.00 0.00 51.96 53.10 3i1n s ALA 87 Cb -0.55 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 3i1n s ALA 87 CO 0.37 -0.16 0.25 1.03 0.00 0.00 0.00 175.76 177.25 3i1n s ARG 88 N -2.56 2.44 0.35 0.00 1.81 -1.26 -4.53 118.95 115.19 3i1n s ARG 88 Ca 0.58 -1.57 -0.29 0.00 -1.72 0.00 0.00 55.73 52.73 3i1n s ARG 88 Cb -0.20 -2.24 -0.11 0.00 -0.45 0.00 0.00 34.95 31.95 3i1n s ARG 88 CO 0.26 -0.04 1.38 -1.25 -0.68 0.00 0.00 175.30 174.96 3i1n s PRO 89 N -3.98 4.26 0.25 3.54 0.04 -1.26 -4.71 135.00 133.14 3i1n s PRO 89 Ca 0.42 2.36 0.08 0.00 0.04 0.00 0.00 61.00 63.90 3i1n s PRO 89 Cb -0.02 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 3i1n s PRO 89 CO 0.25 -0.33 -0.11 -0.65 0.04 0.00 0.00 177.00 176.20 3i1n s GLN 90 N -1.85 1.48 -0.28 4.56 -0.21 -1.26 -4.90 119.66 117.21 3i1n s GLN 90 Ca 0.51 -1.71 -0.05 0.00 0.02 0.00 0.00 55.36 54.12 3i1n s GLN 90 Cb -0.42 -1.22 0.01 0.00 1.00 0.00 0.00 33.01 32.38 3i1n s GLN 90 CO 0.56 0.13 0.04 0.34 -2.12 0.00 0.00 175.29 174.24 3i1n s ASP 91 N -3.40 4.88 -0.03 5.90 2.15 -1.26 -3.61 116.67 121.31 3i1n s ASP 91 Ca 0.27 -0.68 0.15 0.00 0.43 0.00 0.00 52.55 52.73 3i1n s ASP 91 Cb 0.01 -1.83 0.50 0.00 -0.30 0.00 0.00 42.92 41.30 3i1n s ASP 91 CO 0.10 -0.15 1.40 1.41 -0.17 0.00 0.00 175.17 177.76 3i1n n HIS 92 N 4.82 0.86 -1.79 -5.34 8.25 -1.26 -4.96 115.22 115.80 3i1n n HIS 92 Ca -0.15 -0.39 -0.39 0.00 -0.26 0.00 0.00 57.72 56.53 3i1n n HIS 92 Cb 0.48 -0.07 0.04 0.00 1.12 0.00 0.00 29.99 31.56 3i1n n HIS 92 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3i1n s SER 93 N -0.92 5.37 0.42 0.41 0.01 -1.26 -3.96 113.70 113.77 3i1n s SER 93 Ca 0.37 2.78 0.07 0.00 1.31 0.00 0.00 55.95 60.48 3i1n s SER 93 Cb 0.21 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 3i1n s SER 93 CO 0.22 -1.50 0.22 -1.10 0.41 0.00 0.00 173.24 171.49 3i1n s GLN 94 N -2.84 2.27 0.00 12.44 -0.21 -1.26 -4.94 119.66 125.12 3i1n s GLN 94 Ca 0.70 -1.82 0.00 0.00 0.02 0.00 0.00 55.36 54.26 3i1n s GLN 94 Cb -0.41 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 31.57 3i1n s GLN 94 CO 0.49 -0.16 0.00 1.17 -2.12 0.00 0.00 175.29 174.67 3i1n n LYS 95 N -1.31 0.00 -1.23 2.91 4.81 -1.26 -5.07 118.16 117.02 3i1n n LYS 95 Ca -0.01 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3i1n n LYS 95 Cb 0.64 -0.63 0.00 0.00 0.02 0.00 0.00 35.03 35.07 3i1n n LYS 95 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i1n n VAL 96 N -1.08 -4.78 -2.29 3.15 0.31 -1.26 -4.98 118.33 107.40 3i1n n VAL 96 Ca 0.00 0.78 -0.40 0.00 -0.01 0.00 0.00 64.34 64.71 3i1n n VAL 96 Cb 0.00 -3.56 -0.03 0.00 -0.91 0.00 0.00 33.84 29.35 3i1n n VAL 96 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3i1n s ASN 97 N -0.14 6.84 0.23 4.52 0.02 -1.26 -4.84 114.94 120.31 3i1n s ASN 97 Ca 0.00 2.44 -0.12 0.00 -1.02 0.00 0.00 52.86 54.16 3i1n s ASN 97 Cb 0.00 -2.63 0.29 0.00 0.02 0.00 0.00 41.25 38.93 3i1n s ASN 97 CO 0.00 -0.46 1.60 0.11 0.02 0.00 0.00 177.10 178.38 3i1n h LYS 98 N 3.26 -0.01 -0.62 -0.60 1.57 -1.99 0.11 116.57 118.29 3i1n h LYS 98 Ca -0.48 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 3i1n h LYS 98 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 3i1n h LYS 98 CO 0.65 -0.01 0.28 0.87 -0.57 0.00 0.00 179.45 180.67 3i1n h LYS 99 N -0.01 0.90 -0.03 3.15 1.57 -1.99 -1.27 116.57 118.89 3i1n h LYS 99 Ca 0.35 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 3i1n h LYS 99 Cb 0.54 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3i1n h LYS 99 CO -0.76 0.74 -0.22 0.52 -0.57 0.00 0.00 179.45 179.16 3i1n h MET 100 N 0.85 0.04 0.49 3.15 2.86 -1.40 0.26 114.93 121.18 3i1n h MET 100 Ca 0.21 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3i1n h MET 100 Cb 0.15 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3i1n h MET 100 CO -0.02 0.27 -0.24 -0.92 1.06 0.00 0.00 176.91 177.06 3i1n h TYR 101 N 0.04 -0.61 -0.99 -0.22 3.20 0.14 -1.72 116.97 116.82 3i1n h TYR 101 Ca 0.01 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.07 3i1n h TYR 101 Cb 0.42 0.20 -0.09 0.00 1.54 0.00 0.00 36.73 38.80 3i1n h TYR 101 CO 0.00 -0.38 0.62 0.00 -1.64 0.00 0.00 178.16 176.76 3i1n h ARG 102 N -0.95 0.58 -0.11 1.82 3.08 -1.14 0.13 114.38 117.80 3i1n h ARG 102 Ca -0.07 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 59.97 3i1n h ARG 102 Cb 0.51 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3i1n h ARG 102 CO 0.11 0.39 -0.06 0.78 -1.07 0.00 0.00 179.97 180.12 3i1n h GLY 103 N 0.60 0.03 0.99 0.04 0.00 -0.42 0.24 103.07 104.55 3i1n h GLY 103 Ca 0.56 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.95 3i1n h GLY 103 CO -0.31 -0.08 0.29 0.00 0.00 0.00 0.00 176.54 176.44 3i1n h ALA 104 N 1.04 0.66 0.08 3.60 0.00 -0.07 0.17 119.26 124.73 3i1n h ALA 104 Ca 0.06 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i1n h ALA 104 Cb 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3i1n h ALA 104 CO -0.14 0.17 -0.17 -0.07 0.00 0.00 0.00 179.25 179.04 3i1n h LEU 105 N 0.69 -0.47 -0.78 0.00 3.38 -0.75 0.13 115.31 117.52 3i1n h LEU 105 Ca 0.18 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.37 3i1n h LEU 105 Cb 0.03 0.18 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 3i1n h LEU 105 CO -0.03 -0.24 0.29 0.11 0.09 0.00 0.00 178.44 178.66 3i1n h LYS 106 N -0.32 0.38 0.46 1.13 1.57 -0.56 -0.36 116.57 118.87 3i1n h LYS 106 Ca 0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3i1n h LYS 106 Cb 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3i1n h LYS 106 CO -0.10 0.25 -0.22 0.77 -0.57 0.00 0.00 179.45 179.58 3i1n h SER 107 N 0.39 -0.52 -0.49 0.86 0.02 0.72 -1.63 113.55 112.90 3i1n h SER 107 Ca 0.45 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 3i1n h SER 107 Cb 0.74 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 3i1n h SER 107 CO -0.46 -0.23 0.27 -0.29 -1.14 0.00 0.00 176.83 174.98 3i1n h ILE 108 N -0.81 1.17 0.65 3.27 -0.00 -0.31 -1.99 117.51 119.49 3i1n h ILE 108 Ca -0.06 -0.45 -0.03 0.00 -0.00 0.00 0.00 64.86 64.32 3i1n h ILE 108 Cb 0.56 0.48 -0.01 0.00 -0.00 0.00 0.00 36.82 37.85 3i1n h ILE 108 CO 0.10 0.19 -0.41 0.25 -0.00 0.00 0.00 178.15 178.28 3i1n h LEU 109 N 0.73 -1.03 -1.77 2.19 7.12 -1.04 -1.28 115.31 120.22 3i1n h LEU 109 Ca 0.18 0.06 0.13 0.00 0.13 0.00 0.00 57.88 58.38 3i1n h LEU 109 Cb 0.05 0.30 -0.03 0.00 -0.53 0.00 0.00 40.66 40.45 3i1n h LEU 109 CO -0.03 -0.63 0.41 0.28 -0.13 0.00 0.00 178.44 178.34 3i1n h SER 110 N -1.01 0.22 0.41 1.25 0.02 -0.66 -0.27 113.55 113.52 3i1n h SER 110 Ca -0.08 0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.65 3i1n h SER 110 Cb 0.81 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3i1n h SER 110 CO 0.08 0.12 -0.97 -0.33 -1.14 0.00 0.00 176.83 174.59 3i1n h GLU 111 N 0.24 0.36 -1.00 3.45 4.39 -1.13 -2.27 114.58 118.63 3i1n h GLU 111 Ca 0.28 -0.41 0.06 0.00 0.34 0.00 0.00 59.36 59.63 3i1n h GLU 111 Cb 0.79 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.49 3i1n h GLU 111 CO -0.06 1.10 0.65 -0.07 -1.16 0.00 0.00 179.01 179.47 3i1n h LEU 112 N 0.19 1.05 -0.74 1.33 3.38 0.13 0.25 115.31 120.90 3i1n h LEU 112 Ca -0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3i1n h LEU 112 Cb 1.62 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 3i1n h LEU 112 CO 0.16 0.68 0.10 1.62 0.09 0.00 0.00 178.44 181.10 3i1n h VAL 113 N 1.20 1.26 0.00 1.22 3.04 -1.26 0.24 116.25 121.95 3i1n h VAL 113 Ca 0.42 -1.02 -0.13 0.00 -1.01 0.00 0.00 66.70 64.97 3i1n h VAL 113 Cb 0.13 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 30.04 3i1n h VAL 113 CO -0.16 0.38 -0.62 -0.09 -1.01 0.00 0.00 177.57 176.07 3i1n h ARG 114 N 1.00 0.00 -0.65 4.17 2.43 -0.49 -0.46 114.38 120.37 3i1n h ARG 114 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3i1n h ARG 114 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3i1n h ARG 114 CO 0.01 0.62 0.00 1.04 -1.51 0.00 0.00 179.97 180.13 3i1n n GLN 115 N -3.53 3.48 -2.13 0.20 1.13 0.72 -4.94 117.38 112.31 3i1n n GLN 115 Ca -0.00 -2.25 0.00 0.00 -1.94 0.00 0.00 57.00 52.80 3i1n n GLN 115 Cb 0.68 -1.90 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3i1n n GLN 115 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3i1n n ASP 116 N 0.64 0.00 -0.89 1.08 5.68 -0.18 -4.75 116.55 118.12 3i1n n ASP 116 Ca 0.20 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.60 3i1n n ASP 116 Cb 0.83 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.92 3i1n n ASP 116 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3i1n n ARG 117 N -0.47 2.03 -3.55 0.11 1.74 0.80 -4.85 116.66 112.48 3i1n n ARG 117 Ca 0.00 -1.85 -0.41 0.00 -0.77 0.00 0.00 57.85 54.82 3i1n n ARG 117 Cb 0.00 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 29.92 3i1n n ARG 117 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3i1n s LEU 118 N -1.69 4.88 -0.22 0.55 0.20 -1.06 -1.19 118.68 120.15 3i1n s LEU 118 Ca 0.27 -1.02 0.00 0.00 0.69 0.00 0.00 54.13 54.08 3i1n s LEU 118 Cb 0.18 -2.06 0.03 0.00 -0.43 0.00 0.00 46.19 43.91 3i1n s LEU 118 CO 0.27 -0.42 -0.13 0.27 -0.29 0.00 0.00 176.35 176.05 3i1n s ILE 119 N 1.58 2.41 0.03 6.68 -0.00 -1.06 -4.88 121.20 125.97 3i1n s ILE 119 Ca 0.03 -1.11 -0.11 0.00 -0.00 0.00 0.00 60.65 59.46 3i1n s ILE 119 Cb -0.20 -2.18 -0.06 0.00 -0.00 0.00 0.00 42.46 40.03 3i1n s ILE 119 CO 0.07 0.29 0.37 0.54 -0.00 0.00 0.00 174.94 176.22 3i1n s VAL 120 N 1.27 5.12 0.20 8.37 0.11 -1.24 -4.13 120.40 130.10 3i1n s VAL 120 Ca 0.00 0.54 0.04 0.00 -2.93 0.00 0.00 61.98 59.63 3i1n s VAL 120 Cb -0.16 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 3i1n s VAL 120 CO -0.08 0.41 -0.03 0.68 -3.33 0.00 0.00 175.10 172.75 3i1n s VAL 121 N -1.26 1.06 -0.39 2.04 -7.23 -0.94 -2.23 120.40 111.45 3i1n s VAL 121 Ca 0.28 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.27 3i1n s VAL 121 Cb -0.15 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.61 3i1n s VAL 121 CO 0.15 -0.45 0.29 -1.61 -0.31 0.00 0.00 175.10 173.17 3i1n s GLU 122 N -3.83 3.11 0.15 4.82 2.02 -1.26 -0.98 118.70 122.73 3i1n s GLU 122 Ca 0.25 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.33 3i1n s GLU 122 Cb 0.05 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.34 3i1n s GLU 122 CO 0.06 -0.67 0.00 1.17 0.02 0.00 0.00 175.26 175.84 3i1n n LYS 123 N 5.16 -3.10 -3.73 1.61 3.00 -1.26 -5.01 118.16 114.83 3i1n n LYS 123 Ca -0.11 2.36 -0.27 0.00 -0.00 0.00 0.00 58.31 60.29 3i1n n LYS 123 Cb 0.48 -2.39 -0.17 0.00 0.00 0.00 0.00 35.03 32.96 3i1n n LYS 123 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3i1n s PHE 124 N -0.68 0.90 -0.28 5.64 2.19 -1.26 -5.05 117.98 119.44 3i1n s PHE 124 Ca 0.00 -0.71 -0.19 0.00 0.33 0.00 0.00 56.93 56.36 3i1n s PHE 124 Cb 0.00 -0.97 0.10 0.00 -1.31 0.00 0.00 43.02 40.85 3i1n s PHE 124 CO 0.00 -0.56 0.81 0.45 1.83 0.00 0.00 175.22 177.75 3i1n s SER 125 N 1.90 -0.74 0.89 6.13 0.15 -1.26 -5.02 113.70 115.75 3i1n s SER 125 Ca 0.00 1.24 -0.12 0.00 0.70 0.00 0.00 55.95 57.77 3i1n s SER 125 Cb -0.16 1.29 0.13 0.00 -1.71 0.00 0.00 66.02 65.56 3i1n s SER 125 CO -0.08 -0.20 1.12 0.54 1.20 0.00 0.00 173.24 175.82 3i1n s VAL 126 N 1.15 2.31 -1.96 4.45 0.11 -1.26 -4.98 120.40 120.21 3i1n s VAL 126 Ca -0.06 0.10 0.17 0.00 -2.93 0.00 0.00 61.98 59.25 3i1n s VAL 126 Cb -0.05 -2.81 0.19 0.00 -1.53 0.00 0.00 36.38 32.19 3i1n s VAL 126 CO -0.13 -0.13 1.09 -1.84 -3.33 0.00 0.00 175.10 170.76 3i1n n GLU 127 N -3.73 1.58 -3.64 1.54 0.00 -1.26 -4.86 120.64 110.27 3i1n n GLU 127 Ca 0.06 -1.64 -0.03 0.00 0.00 0.00 0.00 57.16 55.56 3i1n n GLU 127 Cb 0.58 -1.33 -0.04 0.00 0.00 0.00 0.00 31.44 30.65 3i1n n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1n s ALA 128 N -1.32 -2.11 -1.45 -1.84 0.00 -1.26 -5.06 121.76 108.72 3i1n s ALA 128 Ca 0.22 1.86 -0.10 0.00 0.00 0.00 0.00 51.96 53.94 3i1n s ALA 128 Cb 0.15 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 21.95 3i1n s ALA 128 CO 0.21 -0.30 2.69 -2.30 0.00 0.00 0.00 175.76 176.06 3i1n n PRO 129 N 0.43 3.23 -4.05 0.00 -0.02 -1.26 -4.81 135.00 128.53 3i1n n PRO 129 Ca -0.00 -2.09 -0.31 0.00 -2.02 0.00 0.00 63.50 59.08 3i1n n PRO 129 Cb 0.58 -2.79 -0.16 0.00 -0.02 0.00 0.00 33.50 31.11 3i1n n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i1n s LYS 130 N 2.61 2.46 0.53 -0.52 -0.14 -1.26 -4.65 119.74 118.77 3i1n s LYS 130 Ca 0.61 -0.70 0.21 0.00 -1.36 0.00 0.00 55.97 54.73 3i1n s LYS 130 Cb 0.16 -2.31 1.34 0.00 -1.68 0.00 0.00 37.83 35.34 3i1n s LYS 130 CO -0.05 -0.27 2.07 1.79 -0.76 0.00 0.00 175.35 178.13 3i1n h THR 131 N 6.09 0.86 -0.76 2.17 1.35 -1.87 -0.78 112.91 119.97 3i1n h THR 131 Ca -0.38 -0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.56 3i1n h THR 131 Cb 1.13 0.86 -0.07 0.00 -1.73 0.00 0.00 68.15 68.34 3i1n h THR 131 CO 0.55 0.00 0.42 0.50 -0.25 0.00 0.00 175.52 176.75 3i1n h LYS 132 N 0.00 0.71 0.51 4.72 3.64 -1.96 0.37 116.57 124.57 3i1n h LYS 132 Ca 0.13 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3i1n h LYS 132 Cb 0.54 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3i1n h LYS 132 CO -0.00 0.47 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.33 3i1n h LEU 133 N 0.73 -0.58 -0.85 5.20 3.38 -1.49 -2.55 115.31 119.15 3i1n h LEU 133 Ca 0.36 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.43 3i1n h LEU 133 Cb 0.31 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 3i1n h LEU 133 CO -0.23 -0.37 0.48 0.25 0.09 0.00 0.00 178.44 178.66 3i1n h LEU 134 N -0.74 0.68 -0.52 1.67 5.85 -1.36 -0.78 115.31 120.11 3i1n h LEU 134 Ca -0.07 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3i1n h LEU 134 Cb 0.55 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 3i1n h LEU 134 CO 0.12 0.37 -0.42 0.00 -0.34 0.00 0.00 178.44 178.17 3i1n h ALA 135 N 1.48 -0.33 0.28 1.25 0.00 -0.03 -1.07 119.26 120.84 3i1n h ALA 135 Ca 0.42 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 3i1n h ALA 135 Cb 0.42 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3i1n h ALA 135 CO -0.26 -0.82 -0.43 1.96 0.00 0.00 0.00 179.25 179.69 3i1n h GLN 136 N -0.26 -0.72 -0.66 0.00 1.08 -0.76 -1.23 115.11 112.55 3i1n h GLN 136 Ca 0.17 0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.52 3i1n h GLN 136 Cb 0.57 0.16 -0.12 0.00 -0.05 0.00 0.00 27.48 28.05 3i1n h GLN 136 CO -0.64 -0.48 -0.42 -0.22 -0.95 0.00 0.00 178.83 176.11 3i1n h LYS 137 N -0.75 -0.16 -0.46 1.46 3.64 -0.98 0.52 116.57 119.84 3i1n h LYS 137 Ca -0.03 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3i1n h LYS 137 Cb 0.69 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.45 3i1n h LYS 137 CO -0.13 -0.11 -0.18 -0.07 -2.27 0.00 0.00 179.45 176.69 3i1n h LEU 138 N -0.17 -0.63 -2.04 5.20 3.38 -1.04 0.22 115.31 120.24 3i1n h LEU 138 Ca 0.21 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.35 3i1n h LEU 138 Cb 0.56 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3i1n h LEU 138 CO -0.74 -0.21 0.02 0.50 0.09 0.00 0.00 178.44 178.09 3i1n h LYS 139 N -0.08 0.00 0.12 1.13 3.64 0.10 0.20 116.57 121.68 3i1n h LYS 139 Ca 0.22 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3i1n h LYS 139 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3i1n h LYS 139 CO -0.51 0.00 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.17 3i1n h ASP 140 N 0.00 -0.14 0.00 4.20 3.45 0.29 -3.13 116.42 121.09 3i1n h ASP 140 Ca 0.01 -0.42 0.00 0.00 0.43 0.00 0.00 57.03 57.05 3i1n h ASP 140 Cb 0.05 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 3i1n h ASP 140 CO -0.00 0.43 0.00 0.23 -1.57 0.00 0.00 179.24 178.33 3i1n n MET 141 N -4.89 0.76 -3.15 3.56 0.00 -0.23 -4.87 117.12 108.31 3i1n n MET 141 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.48 3i1n n MET 141 Cb 0.28 -1.09 0.07 0.00 0.00 0.00 0.00 33.22 32.47 3i1n n MET 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3i1n n ALA 142 N -0.59 -2.28 -2.67 3.04 0.00 -0.54 -5.05 120.51 112.43 3i1n n ALA 142 Ca 0.03 0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 3i1n n ALA 142 Cb 0.02 -5.00 -0.14 0.00 0.00 0.00 0.00 19.45 14.33 3i1n n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1n s LEU 143 N -5.32 2.13 0.00 0.00 1.43 0.58 -5.00 118.68 112.50 3i1n s LEU 143 Ca 0.37 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3i1n s LEU 143 Cb -0.05 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.63 3i1n s LEU 143 CO 0.68 0.04 0.00 -1.84 0.23 0.00 0.00 176.35 175.47 3i1n n GLU 144 N 2.16 1.37 -3.89 1.70 0.28 -1.26 -3.92 120.64 117.08 3i1n n GLU 144 Ca -0.17 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.53 3i1n n GLU 144 Cb 0.55 -0.58 -0.15 0.00 1.43 0.00 0.00 31.44 32.69 3i1n n GLU 144 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3i1n s ASP 145 N -1.15 4.39 0.15 -1.84 -1.08 -1.25 -4.45 116.67 111.43 3i1n s ASP 145 Ca 0.00 -2.04 0.01 0.00 -0.52 0.00 0.00 52.55 50.00 3i1n s ASP 145 Cb 0.00 -1.30 -0.04 0.00 -1.46 0.00 0.00 42.92 40.12 3i1n s ASP 145 CO 0.00 -0.38 0.02 0.68 0.52 0.00 0.00 175.17 176.01 3i1n s VAL 146 N 1.08 0.45 -0.13 1.11 -7.23 -0.97 -1.71 120.40 112.99 3i1n s VAL 146 Ca 0.11 -1.94 0.16 0.00 -1.81 0.00 0.00 61.98 58.50 3i1n s VAL 146 Cb -0.19 -2.05 -0.23 0.00 0.56 0.00 0.00 36.38 34.47 3i1n s VAL 146 CO -0.14 -0.51 0.14 -0.11 -0.31 0.00 0.00 175.10 174.17 3i1n n LEU 147 N -0.16 0.00 -3.64 1.32 -0.00 -0.43 -2.14 117.00 111.94 3i1n n LEU 147 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.65 3i1n n LEU 147 Cb 0.63 0.32 0.01 0.00 -0.00 0.00 0.00 43.42 44.39 3i1n n LEU 147 CO 0.32 0.32 -0.26 -0.38 -0.00 0.00 0.00 177.39 177.40 3i1n n ILE 148 N -2.51 -3.28 -3.35 1.96 2.08 -1.24 -3.72 119.36 109.29 3i1n n ILE 148 Ca -0.22 0.02 -0.41 0.00 0.56 0.00 0.00 62.75 62.70 3i1n n ILE 148 Cb 0.92 -2.95 -0.09 0.00 -0.75 0.00 0.00 39.64 36.77 3i1n n ILE 148 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3i1n s ILE 149 N -2.41 5.12 0.60 1.39 2.07 -1.26 -2.89 121.20 123.82 3i1n s ILE 149 Ca 0.13 0.22 0.07 0.00 -1.41 0.00 0.00 60.65 59.66 3i1n s ILE 149 Cb -0.01 -3.85 0.09 0.00 0.13 0.00 0.00 42.46 38.82 3i1n s ILE 149 CO 0.86 -0.09 0.83 0.28 -1.91 0.00 0.00 174.94 174.90 3i1n s THR 150 N 2.14 2.20 0.00 4.00 -1.32 0.53 -2.81 115.64 120.38 3i1n s THR 150 Ca 0.14 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 3i1n s THR 150 Cb -0.16 -2.31 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 3i1n s THR 150 CO 0.12 0.00 0.21 0.61 -2.21 0.00 0.00 174.62 173.35 3i1n n GLY 151 N -2.37 -0.12 0.98 6.08 0.00 -1.26 -1.27 105.19 107.23 3i1n n GLY 151 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3i1n n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1n n GLU 152 N -0.74 2.27 -1.60 1.61 4.07 -1.26 -2.82 120.64 122.17 3i1n n GLU 152 Ca 0.00 -2.00 0.00 0.00 -0.06 0.00 0.00 57.16 55.10 3i1n n GLU 152 Cb 0.00 -1.46 0.00 0.00 -0.06 0.00 0.00 31.44 29.92 3i1n n GLU 152 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 3i1n n LEU 153 N 1.34 -5.26 0.00 4.31 -0.00 -1.26 -4.98 117.00 111.14 3i1n n LEU 153 Ca 0.15 2.84 -0.18 0.00 -0.00 0.00 0.00 56.01 58.82 3i1n n LEU 153 Cb 0.58 -2.62 0.03 0.00 -0.00 0.00 0.00 43.42 41.41 3i1n n LEU 153 CO 0.15 -0.40 0.20 -0.90 -0.00 0.00 0.00 177.39 176.44 3i1n n ASP 154 N 0.17 2.02 -0.13 1.45 3.85 -1.26 -5.08 116.55 117.57 3i1n n ASP 154 Ca 0.00 -2.37 -0.22 0.00 -0.71 0.00 0.00 54.79 51.48 3i1n n ASP 154 Cb 0.00 -0.22 -0.11 0.00 -1.35 0.00 0.00 41.12 39.44 3i1n n ASP 154 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3i1n n GLU 155 N -1.83 0.63 0.16 0.11 4.07 -1.26 -4.19 120.64 118.33 3i1n n GLU 155 Ca 0.07 0.20 -0.14 0.00 -0.06 0.00 0.00 57.16 57.23 3i1n n GLU 155 Cb 0.50 -1.53 -0.07 0.00 -0.06 0.00 0.00 31.44 30.28 3i1n n GLU 155 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 3i1n h ASN 156 N -0.35 -0.97 -0.20 4.31 2.35 -1.95 0.40 115.58 119.16 3i1n h ASN 156 Ca -0.61 0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.30 3i1n h ASN 156 Cb 1.80 0.35 -0.01 0.00 0.05 0.00 0.00 38.32 40.51 3i1n h ASN 156 CO -0.20 -0.46 0.19 0.25 -1.65 0.00 0.00 177.43 175.57 3i1n h LEU 157 N -0.64 0.00 -0.02 1.61 5.85 -1.88 0.71 115.31 120.94 3i1n h LEU 157 Ca 0.01 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 3i1n h LEU 157 Cb 0.62 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.67 3i1n h LEU 157 CO -0.14 0.00 -0.65 0.15 -0.34 0.00 0.00 178.44 177.47 3i1n h PHE 158 N 0.00 0.68 -0.07 1.25 3.04 -1.42 -3.33 116.94 117.09 3i1n h PHE 158 Ca 0.09 -0.36 -0.08 0.00 3.98 0.00 0.00 57.97 61.60 3i1n h PHE 158 Cb 0.48 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 3i1n h PHE 158 CO 0.00 1.17 -0.33 -0.07 -2.02 0.00 0.00 178.31 177.06 3i1n h LEU 159 N 0.00 0.13-10.48 0.59 4.07 0.43 -3.30 115.31 106.75 3i1n h LEU 159 Ca -0.08 -0.04 -0.46 0.00 0.08 0.00 0.00 57.88 57.38 3i1n h LEU 159 Cb 1.34 -0.04 0.13 0.00 1.08 0.00 0.00 40.66 43.17 3i1n h LEU 159 CO 0.13 0.46 0.29 0.00 -1.08 0.00 0.00 178.44 178.24 3i1n s ALA 160 N -4.29 1.74 0.00 1.53 0.00 0.19 -3.97 121.76 116.96 3i1n s ALA 160 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3i1n s ALA 160 Cb 0.14 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3i1n s ALA 160 CO 0.74 -2.30 0.00 0.00 0.00 0.00 0.00 175.76 174.20 3i1n n ALA 161 N -3.78 0.00 0.27 0.00 0.00 -1.26 -4.70 120.51 111.04 3i1n n ALA 161 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.68 3i1n n ALA 161 Cb 0.59 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.97 3i1n n ALA 161 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1n h ARG 162 N 0.10 0.00 0.00 0.00 2.43 -1.69 -1.00 114.38 114.22 3i1n h ARG 162 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3i1n h ARG 162 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3i1n h ARG 162 CO 0.00 0.00 -1.73 -1.71 -1.51 0.00 0.00 179.97 175.02 3i1n n ASN 163 N -3.57 1.66 -4.62 -3.80 4.05 -1.26 -4.85 115.26 102.88 3i1n n ASN 163 Ca -0.01 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.59 3i1n n ASN 163 Cb 0.22 1.47 -0.03 0.00 1.23 0.00 0.00 39.78 42.67 3i1n n ASN 163 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3i1n s LEU 164 N -4.25 3.72 0.07 1.20 1.02 -0.38 -4.86 118.68 115.20 3i1n s LEU 164 Ca -0.06 1.64 0.08 0.00 0.02 0.00 0.00 54.13 55.81 3i1n s LEU 164 Cb 0.08 -3.53 -0.22 0.00 0.02 0.00 0.00 46.19 42.55 3i1n s LEU 164 CO 0.59 -1.52 1.08 -0.74 0.02 0.00 0.00 176.35 175.78 3i1n h HIS 165 N 12.22 0.01 -0.25 0.29 -0.00 -1.89 -3.22 115.15 122.31 3i1n h HIS 165 Ca -0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 3i1n h HIS 165 Cb 1.18 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 3i1n h HIS 165 CO 0.94 1.01 0.00 1.63 -0.00 0.00 0.00 177.93 181.51 3i1n n LYS 166 N -3.26 2.40 -3.82 5.26 4.76 -1.26 -4.88 118.16 117.35 3i1n n LYS 166 Ca -0.06 -1.25 -0.12 0.00 -2.87 0.00 0.00 58.31 54.02 3i1n n LYS 166 Cb 0.98 -1.68 -0.09 0.00 -1.84 0.00 0.00 35.03 32.40 3i1n n LYS 166 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1n s VAL 167 N -1.69 0.08 0.09 -0.18 0.11 -1.22 -2.29 120.40 115.30 3i1n s VAL 167 Ca 0.22 -0.67 -0.10 0.00 -2.93 0.00 0.00 61.98 58.49 3i1n s VAL 167 Cb 0.16 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 3i1n s VAL 167 CO 0.08 -0.37 0.24 -0.62 -3.33 0.00 0.00 175.10 171.10 3i1n s ASP 168 N -1.57 0.03 -0.00 3.54 2.15 -0.91 -4.84 116.67 115.07 3i1n s ASP 168 Ca -0.12 -0.55 0.01 0.00 0.43 0.00 0.00 52.55 52.33 3i1n s ASP 168 Cb -0.05 0.37 -0.00 0.00 -0.30 0.00 0.00 42.92 42.93 3i1n s ASP 168 CO 0.01 -0.74 -0.03 0.68 -0.17 0.00 0.00 175.17 174.92 3i1n s VAL 169 N -3.73 0.23 0.20 1.11 -7.23 -1.24 -3.65 120.40 106.09 3i1n s VAL 169 Ca 0.04 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 3i1n s VAL 169 Cb 0.04 -0.21 -0.04 0.00 0.56 0.00 0.00 36.38 36.72 3i1n s VAL 169 CO -0.11 0.03 0.08 -0.13 -0.31 0.00 0.00 175.10 174.67 3i1n s ARG 170 N -0.15 1.19 0.38 4.82 3.00 -1.14 -5.01 118.95 122.04 3i1n s ARG 170 Ca 0.00 -1.61 -0.00 0.00 0.00 0.00 0.00 55.73 54.12 3i1n s ARG 170 Cb -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 34.95 34.92 3i1n s ARG 170 CO -0.00 -0.29 0.60 0.16 0.00 0.00 0.00 175.30 175.77 3i1n s ASP 171 N -3.18 6.19 0.20 0.23 1.47 -1.26 -0.35 116.67 119.96 3i1n s ASP 171 Ca 0.33 0.45 -0.11 0.00 1.18 0.00 0.00 52.55 54.40 3i1n s ASP 171 Cb 0.07 -1.94 0.24 0.00 -0.34 0.00 0.00 42.92 40.96 3i1n s ASP 171 CO 0.09 -0.41 1.74 0.00 0.68 0.00 0.00 175.17 177.27 3i1n h ALA 172 N 0.63 0.72 0.00 2.11 0.00 -1.02 0.21 119.26 121.90 3i1n h ALA 172 Ca -0.49 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i1n h ALA 172 Cb 1.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3i1n h ALA 172 CO 0.60 -0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.90 3i1n n THR 173 N -5.01 0.94 0.00 0.00 -2.24 -1.26 -3.87 114.28 102.83 3i1n n THR 173 Ca 0.07 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 3i1n n THR 173 Cb 0.25 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 3i1n n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1n n GLY 174 N 0.03 0.91 1.12 3.38 0.00 0.73 -4.99 105.19 106.38 3i1n n GLY 174 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i1n n GLY 174 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1n n ILE 175 N -0.81 0.00 -4.31 -0.61 3.06 -1.19 -4.99 119.36 110.50 3i1n n ILE 175 Ca 0.00 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.02 3i1n n ILE 175 Cb 0.00 -0.80 -0.12 0.00 0.54 0.00 0.00 39.64 39.26 3i1n n ILE 175 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3i1n s ASP 176 N 0.00 2.62 0.16 9.51 1.47 -1.26 -5.06 116.67 124.11 3i1n s ASP 176 Ca 0.00 -0.79 -0.16 0.00 1.18 0.00 0.00 52.55 52.78 3i1n s ASP 176 Cb 0.00 -0.15 0.08 0.00 -0.34 0.00 0.00 42.92 42.51 3i1n s ASP 176 CO 0.00 0.00 1.72 -0.65 0.68 0.00 0.00 175.17 176.92 3i1n h PRO 177 N 3.59 0.16 0.20 2.11 0.11 -1.97 -1.85 132.00 134.34 3i1n h PRO 177 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3i1n h PRO 177 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i1n h PRO 177 CO 0.46 0.11 -0.10 -0.24 -0.21 0.00 0.00 178.00 178.02 3i1n h VAL 178 N 0.16 0.74 -1.11 3.15 3.04 -1.95 -3.00 116.25 117.29 3i1n h VAL 178 Ca 0.17 -1.01 0.31 0.00 -1.01 0.00 0.00 66.70 65.17 3i1n h VAL 178 Cb 0.21 1.22 -0.06 0.00 -2.01 0.00 0.00 31.29 30.66 3i1n h VAL 178 CO -0.25 0.18 0.78 0.77 -1.01 0.00 0.00 177.57 178.05 3i1n h SER 179 N -0.87 0.10 -0.23 3.17 4.64 -1.97 1.41 113.55 119.80 3i1n h SER 179 Ca -0.03 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 3i1n h SER 179 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3i1n h SER 179 CO 0.05 0.02 -0.03 -0.07 -0.87 0.00 0.00 176.83 175.92 3i1n h LEU 180 N 0.09 0.52 0.10 5.97 3.38 -1.20 -2.96 115.31 121.21 3i1n h LEU 180 Ca 0.55 -0.11 -0.29 0.00 0.09 0.00 0.00 57.88 58.12 3i1n h LEU 180 Cb 2.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 3i1n h LEU 180 CO -0.07 0.62 -1.46 0.40 0.09 0.00 0.00 178.44 178.02 3i1n h ILE 181 N 0.52 1.23 -0.86 1.22 2.04 0.18 -3.39 117.51 118.45 3i1n h ILE 181 Ca 0.11 -2.88 0.15 0.00 1.00 0.00 0.00 64.86 63.24 3i1n h ILE 181 Cb 0.39 2.77 -0.07 0.00 -0.74 0.00 0.00 36.82 39.17 3i1n h ILE 181 CO 0.02 0.82 0.56 0.00 0.00 0.00 0.00 178.15 179.55 3i1n h ALA 182 N 0.58 1.93 -2.79 1.87 0.00 -0.34 -3.44 119.26 117.07 3i1n h ALA 182 Ca -0.21 0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.09 3i1n h ALA 182 Cb 1.99 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.63 3i1n h ALA 182 CO 0.16 -0.17 -0.43 -0.06 0.00 0.00 0.00 179.25 178.74 3i1n s PHE 183 N -5.60 3.54 0.13 0.00 0.40 -1.24 -5.01 117.98 110.20 3i1n s PHE 183 Ca -0.09 0.42 -0.21 0.00 -0.60 0.00 0.00 56.93 56.45 3i1n s PHE 183 Cb 0.22 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 3i1n s PHE 183 CO 0.78 0.59 1.69 -0.44 0.70 0.00 0.00 175.22 178.54 3i1n h ASP 184 N 3.51 -0.33 -3.07 1.36 3.32 -1.84 -3.42 116.42 115.95 3i1n h ASP 184 Ca -0.48 0.07 -0.47 0.00 0.02 0.00 0.00 57.03 56.18 3i1n h ASP 184 Cb 1.18 0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.76 3i1n h ASP 184 CO 0.71 -0.13 -0.72 -0.54 -1.72 0.00 0.00 179.24 176.83 3i1n s LYS 185 N -6.18 1.40 -0.05 3.56 -0.14 -0.69 -4.82 119.74 112.83 3i1n s LYS 185 Ca -0.14 -1.64 -0.00 0.00 -1.36 0.00 0.00 55.97 52.83 3i1n s LYS 185 Cb 0.10 -1.18 0.03 0.00 -1.68 0.00 0.00 37.83 35.10 3i1n s LYS 185 CO 0.68 0.17 -0.01 0.54 -0.76 0.00 0.00 175.35 175.97 3i1n s VAL 186 N -2.94 0.34 0.00 3.17 0.11 -0.33 -1.32 120.40 119.43 3i1n s VAL 186 Ca 0.24 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 3i1n s VAL 186 Cb -0.00 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 3i1n s VAL 186 CO 0.09 0.21 0.00 0.52 -3.33 0.00 0.00 175.10 172.59 3i1n n VAL 187 N 4.51 0.00 -1.14 2.04 0.31 -1.26 -2.56 118.33 120.23 3i1n n VAL 187 Ca -0.18 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3i1n n VAL 187 Cb 0.50 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 3i1n n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3i1n n MET 188 N -0.98 -1.77 -3.83 5.55 0.00 -1.21 -3.71 117.12 111.17 3i1n n MET 188 Ca 0.00 1.60 -0.36 0.00 0.00 0.00 0.00 57.70 58.95 3i1n n MET 188 Cb 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 33.22 31.63 3i1n n MET 188 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 3i1n s THR 189 N -0.18 5.41 0.28 1.12 -1.32 -1.12 -2.22 115.64 117.61 3i1n s THR 189 Ca 0.00 0.15 -0.01 0.00 -1.21 0.00 0.00 61.69 60.62 3i1n s THR 189 Cb 0.00 -3.49 0.33 0.00 -1.51 0.00 0.00 72.50 67.83 3i1n s THR 189 CO 0.00 0.49 1.62 0.00 -2.21 0.00 0.00 174.62 174.51 3i1n h ALA 190 N 4.44 1.07 -0.52 11.08 0.00 -1.44 3.54 119.26 137.43 3i1n h ALA 190 Ca -0.52 0.27 0.17 0.00 0.00 0.00 0.00 54.91 54.83 3i1n h ALA 190 Cb 1.21 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 3i1n h ALA 190 CO 0.63 -0.48 0.34 -3.47 0.00 0.00 0.00 179.25 176.26 3i1n n ASP 191 N -5.35 0.06 0.00 0.00 4.64 -1.26 -1.40 116.55 113.24 3i1n n ASP 191 Ca 0.19 0.47 0.00 0.00 -1.38 0.00 0.00 54.79 54.07 3i1n n ASP 191 Cb 0.63 -0.23 0.00 0.00 -1.04 0.00 0.00 41.12 40.48 3i1n n ASP 191 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i1n n ALA 192 N -2.54 1.81 -0.35 -1.67 0.00 1.16 -4.23 120.51 114.68 3i1n n ALA 192 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 3i1n n ALA 192 Cb 0.58 0.02 0.10 0.00 0.00 0.00 0.00 19.45 20.15 3i1n n ALA 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1n h VAL 193 N 0.00 1.25 -0.47 0.00 2.07 0.26 0.99 116.25 120.36 3i1n h VAL 193 Ca 0.00 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 3i1n h VAL 193 Cb 0.09 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 3i1n h VAL 193 CO 0.00 0.24 0.17 0.50 0.02 0.00 0.00 177.57 178.50 3i1n h LYS 194 N 1.29 0.67 -0.14 1.57 3.64 -1.56 0.24 116.57 122.28 3i1n h LYS 194 Ca 0.35 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 3i1n h LYS 194 Cb -0.13 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 3i1n h LYS 194 CO -0.07 0.57 -0.38 1.96 -2.27 0.00 0.00 179.45 179.26 3i1n h GLN 195 N 0.66 0.50 0.00 1.90 4.20 -1.32 -2.59 115.11 118.45 3i1n h GLN 195 Ca 0.16 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.42 3i1n h GLN 195 Cb 0.16 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3i1n h GLN 195 CO -0.01 0.97 -0.47 0.28 -0.67 0.00 0.00 178.83 178.92 3i1n h VAL 196 N 0.11 1.30 -0.11 -0.54 2.07 -0.78 -1.72 116.25 116.59 3i1n h VAL 196 Ca -0.01 -1.65 0.03 0.00 0.82 0.00 0.00 66.70 65.89 3i1n h VAL 196 Cb 0.99 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 32.60 3i1n h VAL 196 CO 0.08 0.47 -0.52 -0.08 0.02 0.00 0.00 177.57 177.54 3i1n h GLU 197 N 0.00 -0.55 0.00 1.57 4.57 -0.32 -0.94 114.58 118.92 3i1n h GLU 197 Ca -0.00 0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 3i1n h GLU 197 Cb 0.86 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 3i1n h GLU 197 CO 0.06 -0.37 -0.48 1.49 -1.18 0.00 0.00 179.01 178.54 3i1n h GLU 198 N -0.57 0.00 0.64 1.92 4.81 -1.37 0.80 114.58 120.81 3i1n h GLU 198 Ca 0.03 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3i1n h GLU 198 Cb 0.66 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.04 3i1n h GLU 198 CO -0.41 0.48 -0.31 1.98 -0.73 0.00 0.00 179.01 180.02 3i1n h MET 199 N 0.00 -0.83 -0.18 1.92 4.05 -0.51 -2.97 114.93 116.40 3i1n h MET 199 Ca -0.00 0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.35 3i1n h MET 199 Cb 0.93 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 3i1n h MET 199 CO 0.06 -0.56 -0.41 -0.07 0.23 0.00 0.00 176.91 176.16 3i1n h LEU 200 N -0.89 0.45 0.00 3.39 -0.00 -1.26 -3.51 115.31 113.49 3i1n h LEU 200 Ca -0.09 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 3i1n h LEU 200 Cb 0.66 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 3i1n h LEU 200 CO 0.15 0.82 0.00 0.00 -0.00 0.00 0.00 178.44 179.40