#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1q s GLY 23 N 0.00 0.22 -0.04 1.09 0.00 -1.26 -4.94 107.32 102.39 2k1q s GLY 23 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 44.72 44.10 2k1q s GLY 23 CO 0.00 3.41 -0.09 -1.60 0.00 0.00 0.00 173.10 174.82 2k1q s ARG 24 N 7.00 1.08 0.25 2.90 3.52 -1.26 -5.03 118.95 127.40 2k1q s ARG 24 Ca 0.67 -0.29 -0.06 0.00 -0.13 0.00 0.00 55.73 55.92 2k1q s ARG 24 Cb -0.13 -0.98 0.26 0.00 -1.56 0.00 0.00 34.95 32.54 2k1q s ARG 24 CO 0.21 0.06 1.93 -0.44 -0.81 0.00 0.00 175.30 176.25 2k1q h ASP 25 N 6.63 1.16 -6.92 -2.12 3.32 -2.09 -3.45 116.42 112.95 2k1q h ASP 25 Ca -0.34 -0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.10 2k1q h ASP 25 Cb 1.17 -0.29 -0.33 0.00 0.22 0.00 0.00 39.33 40.10 2k1q h ASP 25 CO 0.48 0.84 -0.86 2.29 -1.72 0.00 0.00 179.24 180.28 2k1q n LYS 26 N -4.38 -0.77 -2.47 3.56 2.85 -1.26 -4.86 118.16 110.82 2k1q n LYS 26 Ca 0.12 0.12 -0.42 0.00 -1.05 0.00 0.00 58.31 57.08 2k1q n LYS 26 Cb 0.01 -4.17 -0.03 0.00 -0.65 0.00 0.00 35.03 30.19 2k1q n LYS 26 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2k1q s ASN 27 N -3.34 7.14 0.10 -5.58 0.02 -1.26 -5.02 114.94 107.00 2k1q s ASN 27 Ca 0.62 1.98 -0.12 0.00 -1.02 0.00 0.00 52.86 54.33 2k1q s ASN 27 Cb -0.36 -2.58 0.01 0.00 0.02 0.00 0.00 41.25 38.34 2k1q s ASN 27 CO 0.95 -0.41 0.28 -1.58 0.02 0.00 0.00 177.10 176.36 2k1q s GLN 28 N 0.82 0.93 0.07 -0.60 0.74 -1.26 -5.15 119.66 115.21 2k1q s GLN 28 Ca 0.56 -0.83 -0.21 0.00 0.05 0.00 0.00 55.36 54.94 2k1q s GLN 28 Cb -0.28 0.39 -0.07 0.00 1.10 0.00 0.00 33.01 34.15 2k1q s GLN 28 CO 0.30 -0.33 0.61 0.08 -0.55 0.00 0.00 175.29 175.40 2k1q s VAL 29 N -3.76 4.71 0.22 1.34 1.01 -1.26 -5.01 120.40 117.66 2k1q s VAL 29 Ca 0.04 1.30 -0.32 0.00 0.00 0.00 0.00 61.98 63.00 2k1q s VAL 29 Cb 0.03 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.35 2k1q s VAL 29 CO -0.11 0.52 1.71 1.21 0.00 0.00 0.00 175.10 178.43 2k1q n GLU 30 N 1.91 2.79 -3.15 2.72 2.13 -1.26 -4.95 120.64 120.82 2k1q n GLU 30 Ca -0.09 1.00 0.05 0.00 0.66 0.00 0.00 57.16 58.78 2k1q n GLU 30 Cb 0.50 -2.84 -0.00 0.00 0.27 0.00 0.00 31.44 29.37 2k1q n GLU 30 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k1q s GLY 31 N 1.07 -1.03 0.35 8.31 0.00 -1.26 -5.02 107.32 109.74 2k1q s GLY 31 Ca 0.73 1.77 0.06 0.00 0.00 0.00 0.00 44.72 47.28 2k1q s GLY 31 CO 0.35 3.96 1.90 0.83 0.00 0.00 0.00 173.10 180.14 2k1q h GLU 32 N 7.52 0.47 -5.28 2.90 5.08 -1.92 -3.41 114.58 119.93 2k1q h GLU 32 Ca -0.07 -0.09 -0.62 0.00 -1.00 0.00 0.00 59.36 57.59 2k1q h GLU 32 Cb 1.18 -0.07 -0.16 0.00 0.50 0.00 0.00 28.75 30.20 2k1q h GLU 32 CO -0.01 0.49 -0.56 0.08 -1.00 0.00 0.00 179.01 178.01 2k1q s VAL 33 N -4.98 4.78 0.25 3.13 1.01 -1.26 -3.32 120.40 120.01 2k1q s VAL 33 Ca -0.07 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 61.97 2k1q s VAL 33 Cb 0.16 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 2k1q s VAL 33 CO 0.75 0.46 -0.11 -1.10 0.00 0.00 0.00 175.10 175.11 2k1q s GLN 34 N 0.37 1.97 -0.22 2.72 -0.21 -1.22 -5.01 119.66 118.07 2k1q s GLN 34 Ca 0.03 -1.52 -0.25 0.00 0.02 0.00 0.00 55.36 53.64 2k1q s GLN 34 Cb -0.12 -2.00 -0.01 0.00 1.00 0.00 0.00 33.01 31.88 2k1q s GLN 34 CO 0.00 0.37 0.82 0.08 -2.12 0.00 0.00 175.29 174.44 2k1q s VAL 35 N -2.23 4.86 0.01 1.09 1.01 -1.26 -3.17 120.40 120.71 2k1q s VAL 35 Ca 0.29 1.57 0.08 0.00 0.00 0.00 0.00 61.98 63.91 2k1q s VAL 35 Cb -0.06 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2k1q s VAL 35 CO 0.16 -0.03 -0.23 0.68 0.00 0.00 0.00 175.10 175.68 2k1q s VAL 36 N 2.58 2.36 0.06 2.92 -7.23 -0.88 -4.09 120.40 116.13 2k1q s VAL 36 Ca 0.35 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 2k1q s VAL 36 Cb -0.16 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 2k1q s VAL 36 CO 0.09 0.45 0.03 -0.55 -0.31 0.00 0.00 175.10 174.82 2k1q s SER 37 N -1.03 0.37 0.01 4.85 0.15 -1.19 -1.22 113.70 115.64 2k1q s SER 37 Ca 0.12 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2k1q s SER 37 Cb -0.10 0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2k1q s SER 37 CO 0.02 -0.63 0.00 0.35 1.20 0.00 0.00 173.24 174.18 2k1q n THR 38 N 0.11 0.00 1.64 6.45 -2.24 -0.20 -3.06 114.28 116.97 2k1q n THR 38 Ca -0.15 -0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.68 2k1q n THR 38 Cb 0.61 0.01 0.36 0.00 -2.10 0.00 0.00 70.33 69.21 2k1q n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q n ALA 39 N -2.98 2.54 0.00 6.98 0.00 -1.26 -4.14 120.51 121.65 2k1q n ALA 39 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2k1q n ALA 39 Cb 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2k1q n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k1q n THR 40 N -0.25 0.00 -4.03 0.00 -2.24 -1.26 -5.13 114.28 101.37 2k1q n THR 40 Ca 0.12 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.80 2k1q n THR 40 Cb 0.16 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 2k1q n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q s GLN 41 N -1.57 1.50 0.09 -0.78 -2.07 -1.26 -5.17 119.66 110.40 2k1q s GLN 41 Ca 0.00 -1.32 0.10 0.00 -1.82 0.00 0.00 55.36 52.32 2k1q s GLN 41 Cb 0.00 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 2k1q s GLN 41 CO 0.00 -0.61 -0.26 -1.12 -1.32 0.00 0.00 175.29 171.98 2k1q s SER 42 N -3.04 3.29 0.34 12.60 0.01 -1.26 -1.04 113.70 124.59 2k1q s SER 42 Ca 0.25 -0.66 -0.09 0.00 1.31 0.00 0.00 55.95 56.75 2k1q s SER 42 Cb 0.01 -0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.00 2k1q s SER 42 CO 0.10 0.22 0.61 2.22 0.41 0.00 0.00 173.24 176.80 2k1q n PHE 43 N 1.31 -1.93 -4.27 2.43 -1.74 -0.36 -4.56 117.46 108.34 2k1q n PHE 43 Ca -0.17 -1.78 -0.27 0.00 -0.56 0.00 0.00 57.45 54.67 2k1q n PHE 43 Cb 0.52 0.71 -0.09 0.00 1.52 0.00 0.00 39.48 42.14 2k1q n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2k1q s LEU 44 N 0.00 3.00 0.18 5.98 1.43 -1.18 -2.07 118.68 126.02 2k1q s LEU 44 Ca 0.18 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2k1q s LEU 44 Cb -0.03 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 2k1q s LEU 44 CO 0.13 0.12 -0.09 0.00 0.23 0.00 0.00 176.35 176.74 2k1q s ALA 45 N -1.58 1.65 -0.01 4.21 0.00 -1.19 -2.27 121.76 122.57 2k1q s ALA 45 Ca 0.24 -1.59 0.06 0.00 0.00 0.00 0.00 51.96 50.66 2k1q s ALA 45 Cb -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2k1q s ALA 45 CO 0.15 -0.10 -0.18 -0.08 0.00 0.00 0.00 175.76 175.55 2k1q s THR 46 N -3.28 1.41 -0.48 0.00 -1.32 -1.00 -3.39 115.64 107.59 2k1q s THR 46 Ca 0.21 -0.77 -0.17 0.00 -1.21 0.00 0.00 61.69 59.75 2k1q s THR 46 Cb 0.03 -1.18 0.07 0.00 -1.51 0.00 0.00 72.50 69.91 2k1q s THR 46 CO 0.04 0.39 0.46 0.00 -2.21 0.00 0.00 174.62 173.30 2k1q s VAL 48 N 1.93 3.74 -1.45 0.00 1.01 0.12 -1.87 120.40 123.88 2k1q s VAL 48 Ca 0.07 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 2k1q s VAL 48 Cb -0.23 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.56 2k1q s VAL 48 CO 0.08 0.50 0.95 -3.20 0.00 0.00 0.00 175.10 173.43 2k1q n ASN 49 N 3.52 -5.87 -0.76 3.32 5.15 -1.26 -1.24 115.26 118.13 2k1q n ASN 49 Ca -0.17 -0.51 -0.10 0.00 -0.60 0.00 0.00 54.58 53.20 2k1q n ASN 49 Cb 0.52 -4.67 -0.04 0.00 -0.53 0.00 0.00 39.78 35.06 2k1q n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k1q n GLY 50 N -1.77 1.14 2.95 8.20 0.00 -1.26 -5.00 105.19 109.45 2k1q n GLY 50 Ca -0.02 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 2k1q n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1q s VAL 51 N -2.36 0.79 0.45 1.61 1.01 -0.37 -3.24 120.40 118.29 2k1q s VAL 51 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 2k1q s VAL 51 Cb 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 2k1q s VAL 51 CO 0.00 0.28 1.03 0.00 0.00 0.00 0.00 175.10 176.41 2k1q s TRP 53 N -1.91 0.44 0.17 0.00 0.52 0.11 -2.83 118.94 115.43 2k1q s TRP 53 Ca 0.64 -0.51 -0.20 0.00 0.02 0.00 0.00 56.10 56.05 2k1q s TRP 53 Cb -0.17 -0.28 0.07 0.00 -1.15 0.00 0.00 33.47 31.94 2k1q s TRP 53 CO 0.21 -0.14 0.96 -2.37 0.02 0.00 0.00 176.95 175.62 2k1q n THR 54 N 1.55 0.00 -2.91 2.01 5.66 -1.02 -2.37 114.28 117.19 2k1q n THR 54 Ca -0.23 -0.52 -0.27 0.00 -3.05 0.00 0.00 64.05 59.98 2k1q n THR 54 Cb 0.55 0.71 -0.01 0.00 -1.55 0.00 0.00 70.33 70.03 2k1q n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k1q s VAL 55 N -2.10 4.94 0.07 1.08 0.11 -1.26 -2.40 120.40 120.85 2k1q s VAL 55 Ca 0.21 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 59.25 2k1q s VAL 55 Cb -0.03 -3.82 -0.25 0.00 -1.53 0.00 0.00 36.38 30.75 2k1q s VAL 55 CO 0.05 -0.66 1.17 0.22 -3.33 0.00 0.00 175.10 172.55 2k1q h TYR 56 N 0.71 1.05 0.00 1.54 3.20 -1.20 -2.60 116.97 119.67 2k1q h TYR 56 Ca -0.48 -0.59 -0.02 0.00 3.14 0.00 0.00 58.73 60.78 2k1q h TYR 56 Cb 1.20 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.36 2k1q h TYR 56 CO 0.57 1.43 -0.11 1.12 -1.64 0.00 0.00 178.16 179.54 2k1q h HIS 57 N 0.37 0.00 0.00 -3.82 2.07 -1.95 0.39 115.15 112.21 2k1q h HIS 57 Ca -0.15 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.34 2k1q h HIS 57 Cb 1.76 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.73 2k1q h HIS 57 CO 0.11 0.11 -0.31 0.78 -3.07 0.00 0.00 177.93 175.54 2k1q h GLY 58 N 0.88 0.00 0.00 6.13 0.00 -1.95 -3.44 103.07 104.69 2k1q h GLY 58 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k1q h GLY 58 CO 0.01 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.82 2k1q n ALA 59 N -3.09 0.65 -0.00 3.60 0.00 -0.98 -4.80 120.51 115.89 2k1q n ALA 59 Ca -0.08 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2k1q n ALA 59 Cb 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.72 2k1q n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1q n GLY 60 N 1.52 -2.26 2.53 0.00 0.00 0.14 -4.27 105.19 102.85 2k1q n GLY 60 Ca -0.10 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 2k1q n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k1q n SER 61 N -0.88 6.33 -4.19 1.61 3.41 -1.26 -4.86 113.62 113.78 2k1q n SER 61 Ca 0.00 -2.68 -0.11 0.00 -0.26 0.00 0.00 58.87 55.82 2k1q n SER 61 Cb 0.00 -1.57 -0.10 0.00 -0.26 0.00 0.00 64.21 62.28 2k1q n SER 61 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k1q s LYS 62 N 2.75 1.09 0.33 4.33 1.02 -1.26 -5.12 119.74 122.88 2k1q s LYS 62 Ca 0.59 -1.55 -0.29 0.00 0.02 0.00 0.00 55.97 54.74 2k1q s LYS 62 Cb 0.16 0.18 -0.10 0.00 -0.52 0.00 0.00 37.83 37.55 2k1q s LYS 62 CO -0.07 -0.31 1.36 -0.08 -0.92 0.00 0.00 175.35 175.34 2k1q s THR 63 N -4.05 2.57 -0.13 2.17 -1.32 -1.26 -4.87 115.64 108.76 2k1q s THR 63 Ca 0.31 0.56 -0.01 0.00 -1.21 0.00 0.00 61.69 61.35 2k1q s THR 63 Cb 0.07 -3.36 -0.02 0.00 -1.51 0.00 0.00 72.50 67.68 2k1q s THR 63 CO 0.07 0.13 -0.11 -0.22 -2.21 0.00 0.00 174.62 172.28 2k1q s LEU 64 N -1.66 2.85 -0.43 9.08 1.98 -1.24 -4.92 118.68 124.34 2k1q s LEU 64 Ca 0.51 -0.26 -0.17 0.00 -2.89 0.00 0.00 54.13 51.32 2k1q s LEU 64 Cb -0.41 -1.65 0.03 0.00 0.66 0.00 0.00 46.19 44.82 2k1q s LEU 64 CO 0.54 0.19 0.46 0.00 -1.89 0.00 0.00 176.35 175.64 2k1q s ALA 65 N 0.22 3.43 0.00 5.97 0.00 -1.17 -0.81 121.76 129.40 2k1q s ALA 65 Ca -0.07 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2k1q s ALA 65 Cb -0.15 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2k1q s ALA 65 CO 0.05 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.57 2k1q n GLY 66 N 5.12 2.96 0.21 0.00 0.00 0.16 -3.15 105.19 110.50 2k1q n GLY 66 Ca -0.07 -2.11 -0.00 0.00 0.00 0.00 0.00 46.02 43.84 2k1q n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1q h PRO 67 N 0.00 0.25 -0.00 1.61 0.13 -1.97 -2.76 132.00 129.26 2k1q h PRO 67 Ca 0.00 -0.09 -0.17 0.00 -0.87 0.00 0.00 66.00 64.86 2k1q h PRO 67 Cb 0.00 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.09 2k1q h PRO 67 CO 0.00 0.53 -0.81 0.87 -0.23 0.00 0.00 178.00 178.36 2k1q h LYS 68 N 0.22 0.08 0.00 0.86 1.57 -1.94 -3.50 116.57 113.86 2k1q h LYS 68 Ca 0.03 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2k1q h LYS 68 Cb 0.64 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2k1q h LYS 68 CO 0.05 0.84 0.00 0.41 -0.57 0.00 0.00 179.45 180.18 2k1q n GLY 69 N 0.75 0.36 3.82 3.86 0.00 -1.04 -5.10 105.19 107.84 2k1q n GLY 69 Ca -0.02 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 2k1q n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1q s PRO 70 N -2.00 2.70 -0.01 1.61 0.04 -1.26 0.40 135.00 136.48 2k1q s PRO 70 Ca 0.00 0.86 0.03 0.00 0.04 0.00 0.00 61.00 61.94 2k1q s PRO 70 Cb 0.00 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2k1q s PRO 70 CO 0.00 -1.24 -0.11 0.42 0.04 0.00 0.00 177.00 176.11 2k1q s ILE 71 N -3.08 0.87 0.41 0.56 1.01 0.01 -4.81 121.20 116.18 2k1q s ILE 71 Ca 0.59 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 2k1q s ILE 71 Cb -0.14 -0.73 -0.10 0.00 0.01 0.00 0.00 42.46 41.50 2k1q s ILE 71 CO 0.55 0.25 0.89 0.42 0.00 0.00 0.00 174.94 177.04 2k1q s THR 72 N -0.19 4.50 -0.03 2.92 -4.23 -1.26 -3.72 115.64 113.63 2k1q s THR 72 Ca 0.03 1.27 -0.22 0.00 -1.18 0.00 0.00 61.69 61.59 2k1q s THR 72 Cb -0.05 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.12 2k1q s THR 72 CO -0.00 -0.34 0.66 -1.10 -0.54 0.00 0.00 174.62 173.30 2k1q s GLN 73 N -3.26 4.40 -0.13 3.99 -1.52 -1.26 -3.48 119.66 118.39 2k1q s GLN 73 Ca 0.59 0.83 -0.03 0.00 -1.95 0.00 0.00 55.36 54.80 2k1q s GLN 73 Cb -0.09 -3.40 -0.07 0.00 -0.22 0.00 0.00 33.01 29.22 2k1q s GLN 73 CO 0.17 0.20 -0.15 -0.12 -0.25 0.00 0.00 175.29 175.15 2k1q n MET 74 N 3.28 0.31 -4.19 2.91 1.56 -0.33 -4.79 117.12 115.88 2k1q n MET 74 Ca -0.04 0.10 -0.19 0.00 -0.27 0.00 0.00 57.70 57.31 2k1q n MET 74 Cb 0.51 -1.13 -0.12 0.00 2.15 0.00 0.00 33.22 34.63 2k1q n MET 74 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2k1q s TYR 75 N -2.26 1.28 -0.12 1.12 2.02 -0.66 -4.62 117.35 114.12 2k1q s TYR 75 Ca -0.18 -0.46 -0.09 0.00 -0.37 0.00 0.00 57.07 55.97 2k1q s TYR 75 Cb 0.06 -0.72 0.04 0.00 -0.40 0.00 0.00 41.96 40.94 2k1q s TYR 75 CO 0.27 0.08 0.30 0.95 -1.57 0.00 0.00 175.55 175.57 2k1q s THR 76 N -1.27 -0.01 -0.39 -0.71 -4.23 -1.26 -1.23 115.64 106.54 2k1q s THR 76 Ca -0.01 0.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 2k1q s THR 76 Cb -0.10 -0.43 0.16 0.00 1.34 0.00 0.00 72.50 73.47 2k1q s THR 76 CO 0.02 0.02 0.43 0.21 -0.54 0.00 0.00 174.62 174.76 2k1q s ASN 77 N 0.58 0.66 0.23 3.99 3.84 -0.45 -5.00 114.94 118.80 2k1q s ASN 77 Ca -0.03 -1.54 -0.07 0.00 0.21 0.00 0.00 52.86 51.42 2k1q s ASN 77 Cb -0.05 0.78 0.22 0.00 -0.55 0.00 0.00 41.25 41.65 2k1q s ASN 77 CO -0.03 -0.23 1.87 0.58 -2.79 0.00 0.00 177.10 176.49 2k1q h VAL 78 N 5.00 1.26 -0.55 -5.21 2.07 -1.96 0.11 116.25 116.96 2k1q h VAL 78 Ca 0.06 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2k1q h VAL 78 Cb 1.07 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2k1q h VAL 78 CO 0.18 0.28 0.30 0.44 0.02 0.00 0.00 177.57 178.80 2k1q h ASP 79 N 1.28 0.69 -0.01 0.57 3.32 -1.95 -2.20 116.42 118.12 2k1q h ASP 79 Ca 0.33 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2k1q h ASP 79 Cb -0.01 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2k1q h ASP 79 CO -0.06 0.58 -0.00 1.67 -1.72 0.00 0.00 179.24 179.72 2k1q n GLN 80 N -4.61 1.50 -3.79 3.56 7.27 -1.03 -4.94 117.38 115.35 2k1q n GLN 80 Ca 0.03 -0.73 -0.25 0.00 0.07 0.00 0.00 57.00 56.12 2k1q n GLN 80 Cb 0.08 -1.48 0.03 0.00 2.41 0.00 0.00 30.24 31.28 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2k1q n ASP 81 N -0.11 -2.41 -3.81 1.69 2.03 0.33 -4.88 116.55 109.39 2k1q n ASP 81 Ca 0.20 -0.81 -0.13 0.00 0.52 0.00 0.00 54.79 54.57 2k1q n ASP 81 Cb 0.30 -3.96 -0.13 0.00 -0.72 0.00 0.00 41.12 36.61 2k1q n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k1q s LEU 82 N -6.91 1.29 0.10 -2.67 1.43 -0.89 -0.70 118.68 110.34 2k1q s LEU 82 Ca 0.23 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2k1q s LEU 82 Cb -0.12 0.51 -0.04 0.00 0.03 0.00 0.00 46.19 46.58 2k1q s LEU 82 CO 0.82 -0.07 -0.09 0.54 0.23 0.00 0.00 176.35 177.79 2k1q s VAL 83 N 0.26 0.85 0.04 -1.59 0.11 -1.01 -1.34 120.40 117.72 2k1q s VAL 83 Ca -0.01 -1.77 0.01 0.00 -2.93 0.00 0.00 61.98 57.27 2k1q s VAL 83 Cb -0.03 -1.49 -0.03 0.00 -1.53 0.00 0.00 36.38 33.31 2k1q s VAL 83 CO -0.01 -0.69 -0.05 -0.83 -3.33 0.00 0.00 175.10 170.19 2k1q s GLY 84 N -2.70 0.43 0.15 6.54 0.00 -0.37 -2.43 107.32 108.94 2k1q s GLY 84 Ca 0.08 -0.88 0.11 0.00 0.00 0.00 0.00 44.72 44.03 2k1q s GLY 84 CO -0.02 -0.96 -0.25 -0.98 0.00 0.00 0.00 173.10 170.90 2k1q s TRP 85 N -2.30 2.21 -0.18 1.90 0.51 -1.13 -1.19 118.94 118.76 2k1q s TRP 85 Ca -0.05 -0.38 -0.29 0.00 -2.12 0.00 0.00 56.10 53.25 2k1q s TRP 85 Cb -0.04 -1.16 -0.03 0.00 -0.81 0.00 0.00 33.47 31.43 2k1q s TRP 85 CO -0.03 0.37 1.66 -1.14 -0.51 0.00 0.00 176.95 177.30 2k1q s GLN 86 N -2.28 3.85 0.11 4.98 0.74 -1.23 -2.25 119.66 123.57 2k1q s GLN 86 Ca 0.15 1.81 -0.31 0.00 0.05 0.00 0.00 55.36 57.06 2k1q s GLN 86 Cb -0.09 -4.04 -0.07 0.00 1.10 0.00 0.00 33.01 29.90 2k1q s GLN 86 CO 0.07 -1.23 1.35 0.00 -0.55 0.00 0.00 175.29 174.93 2k1q s ALA 87 N 5.09 3.55 0.77 1.58 0.00 -1.20 -4.86 121.76 126.69 2k1q s ALA 87 Ca 0.73 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 2k1q s ALA 87 Cb -0.27 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.38 2k1q s ALA 87 CO 0.30 -0.58 1.09 -1.25 0.00 0.00 0.00 175.76 175.32 2k1q s PRO 88 N 1.07 2.29 0.77 0.00 0.04 -1.26 -4.97 135.00 132.94 2k1q s PRO 88 Ca 0.63 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 62.70 2k1q s PRO 88 Cb -0.35 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.35 2k1q s PRO 88 CO 0.30 -1.62 1.17 -1.25 0.04 0.00 0.00 177.00 175.64 2k1q s PRO 89 N -4.91 1.96 -0.16 0.56 0.04 -1.26 -3.42 135.00 127.80 2k1q s PRO 89 Ca 0.61 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2k1q s PRO 89 Cb -0.17 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2k1q s PRO 89 CO 0.56 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 176.07 2k1q n GLY 90 N 0.05 0.37 3.57 0.56 0.00 -1.26 -5.05 105.19 103.44 2k1q n GLY 90 Ca 0.12 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 2k1q n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1q s ALA 91 N -2.08 2.95 0.54 4.61 0.00 -1.22 -5.01 121.76 121.54 2k1q s ALA 91 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.60 2k1q s ALA 91 Cb 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.33 2k1q s ALA 91 CO 0.00 0.55 0.77 1.03 0.00 0.00 0.00 175.76 178.11 2k1q s ARG 92 N -2.54 2.62 0.07 0.00 1.81 -1.26 -5.00 118.95 114.65 2k1q s ARG 92 Ca 0.23 -0.70 0.01 0.00 -1.72 0.00 0.00 55.73 53.55 2k1q s ARG 92 Cb -0.10 -2.48 -0.04 0.00 -0.45 0.00 0.00 34.95 31.88 2k1q s ARG 92 CO 0.14 -0.66 -0.05 -1.54 -0.68 0.00 0.00 175.30 172.51 2k1q s SER 93 N -4.39 0.79 -0.15 0.23 1.04 -1.26 -4.76 113.70 105.20 2k1q s SER 93 Ca 0.56 -0.94 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 2k1q s SER 93 Cb -0.10 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 2k1q s SER 93 CO 0.39 -0.49 -0.02 -0.76 0.98 0.00 0.00 173.24 173.33 2k1q s LEU 94 N -2.80 3.37 0.67 2.42 1.43 -0.78 -4.93 118.68 118.07 2k1q s LEU 94 Ca 0.07 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 2k1q s LEU 94 Cb 0.04 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 2k1q s LEU 94 CO -0.06 0.20 1.05 0.42 0.23 0.00 0.00 176.35 178.19 2k1q s THR 95 N 0.15 4.28 0.76 5.49 -4.23 -1.26 -4.35 115.64 116.49 2k1q s THR 95 Ca -0.00 0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 2k1q s THR 95 Cb -0.13 -3.58 0.05 0.00 1.34 0.00 0.00 72.50 70.18 2k1q s THR 95 CO 0.02 -0.97 1.09 -2.16 -0.54 0.00 0.00 174.62 172.06 2k1q s PRO 96 N -5.10 2.36 0.07 3.99 0.04 -1.26 -0.09 135.00 135.01 2k1q s PRO 96 Ca 0.57 0.69 -0.31 0.00 0.04 0.00 0.00 61.00 61.99 2k1q s PRO 96 Cb -0.13 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 2k1q s PRO 96 CO 0.55 -1.44 1.26 0.00 0.04 0.00 0.00 177.00 177.41 2k1q n THR 98 N 4.00 0.99 -0.41 0.00 5.66 -1.26 -4.82 114.28 118.44 2k1q n THR 98 Ca 0.10 -4.28 0.00 0.00 -3.05 0.00 0.00 64.05 56.82 2k1q n THR 98 Cb 0.45 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 2k1q n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k1q n GLY 100 N 0.00 -0.40 3.59 0.00 0.00 -1.26 -4.97 105.19 102.15 2k1q n GLY 100 Ca 0.00 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2k1q n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1q s SER 101 N -3.24 6.02 0.18 1.61 0.01 -1.26 -4.97 113.70 112.06 2k1q s SER 101 Ca 0.51 -0.01 -0.09 0.00 1.31 0.00 0.00 55.95 57.67 2k1q s SER 101 Cb -0.22 -2.12 0.07 0.00 0.21 0.00 0.00 66.02 63.96 2k1q s SER 101 CO 0.63 -0.05 1.62 0.28 0.41 0.00 0.00 173.24 176.13 2k1q h SER 102 N 8.37 1.03 -3.90 2.44 0.02 -1.93 -3.44 113.55 116.14 2k1q h SER 102 Ca -0.35 -0.32 -0.54 0.00 -0.84 0.00 0.00 61.79 59.74 2k1q h SER 102 Cb 1.19 -0.28 0.11 0.00 0.14 0.00 0.00 62.40 63.56 2k1q h SER 102 CO 0.55 1.11 0.80 0.47 -1.14 0.00 0.00 176.83 178.62 2k1q n ASP 103 N -4.16 3.87 -4.03 3.07 8.00 -1.26 0.12 116.55 122.15 2k1q n ASP 103 Ca 0.02 1.22 -0.09 0.00 0.71 0.00 0.00 54.79 56.65 2k1q n ASP 103 Cb 0.38 -1.63 -0.11 0.00 -0.02 0.00 0.00 41.12 39.74 2k1q n ASP 103 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k1q s LEU 104 N -1.99 2.32 -0.17 0.64 1.43 0.95 -4.39 118.68 117.47 2k1q s LEU 104 Ca 0.54 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2k1q s LEU 104 Cb -0.47 0.08 -0.00 0.00 0.03 0.00 0.00 46.19 45.83 2k1q s LEU 104 CO 0.63 -0.37 -0.13 -0.31 0.23 0.00 0.00 176.35 176.39 2k1q s TYR 105 N -2.20 2.82 -0.17 0.29 2.02 -0.58 -0.92 117.35 118.61 2k1q s TYR 105 Ca -0.08 -1.08 -0.09 0.00 -0.37 0.00 0.00 57.07 55.45 2k1q s TYR 105 Cb -0.05 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.53 2k1q s TYR 105 CO -0.03 -0.52 0.14 -1.17 -1.57 0.00 0.00 175.55 172.39 2k1q s LEU 106 N 1.00 4.27 -0.26 -1.29 2.96 -1.20 -1.03 118.68 123.12 2k1q s LEU 106 Ca -0.02 0.32 -0.19 0.00 -0.22 0.00 0.00 54.13 54.02 2k1q s LEU 106 Cb -0.15 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 2k1q s LEU 106 CO -0.02 0.25 0.55 -0.69 -1.32 0.00 0.00 176.35 175.12 2k1q s VAL 107 N -0.10 5.05 0.14 1.68 1.01 -1.23 -3.21 120.40 123.74 2k1q s VAL 107 Ca 0.10 0.95 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 2k1q s VAL 107 Cb -0.11 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2k1q s VAL 107 CO 0.00 0.07 0.32 -0.89 0.00 0.00 0.00 175.10 174.60 2k1q s THR 108 N 2.36 5.27 0.67 3.92 2.01 -0.61 -4.74 115.64 124.51 2k1q s THR 108 Ca 0.23 -0.34 0.43 0.00 0.31 0.00 0.00 61.69 62.31 2k1q s THR 108 Cb -0.16 -3.68 0.43 0.00 0.01 0.00 0.00 72.50 69.10 2k1q s THR 108 CO 0.09 -0.03 2.32 0.08 -0.69 0.00 0.00 174.62 176.39 2k1q h ARG 109 N 2.51 0.00 -0.90 4.92 0.11 -1.89 -0.71 114.38 118.42 2k1q h ARG 109 Ca -0.47 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.36 2k1q h ARG 109 Cb 1.18 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.10 2k1q h ARG 109 CO 0.71 0.00 0.33 1.58 0.10 0.00 0.00 179.97 182.69 2k1q n HIS 110 N -3.06 2.02 -3.81 4.08 -0.00 -1.26 -4.88 115.22 108.31 2k1q n HIS 110 Ca -0.03 -1.18 -0.28 0.00 0.46 0.00 0.00 57.72 56.69 2k1q n HIS 110 Cb 0.11 -0.65 0.04 0.00 -0.12 0.00 0.00 29.99 29.38 2k1q n HIS 110 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k1q n ALA 111 N -0.33 -1.29 -2.77 1.57 0.00 -0.27 -4.98 120.51 112.45 2k1q n ALA 111 Ca 0.36 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.75 2k1q n ALA 111 Cb 1.23 -4.85 -0.16 0.00 0.00 0.00 0.00 19.45 15.67 2k1q n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k1q s ASP 112 N -3.31 3.31 -0.23 0.00 1.11 -1.24 -4.93 116.67 111.37 2k1q s ASP 112 Ca 0.64 -0.45 -0.05 0.00 0.18 0.00 0.00 52.55 52.87 2k1q s ASP 112 Cb -0.31 -0.96 -0.02 0.00 1.07 0.00 0.00 42.92 42.70 2k1q s ASP 112 CO 0.80 0.24 -0.00 -0.69 1.18 0.00 0.00 175.17 176.70 2k1q s VAL 113 N -0.15 3.69 -0.28 -1.27 1.01 -1.26 -1.58 120.40 120.56 2k1q s VAL 113 Ca -0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2k1q s VAL 113 Cb -0.14 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2k1q s VAL 113 CO 0.04 0.39 0.10 -0.63 0.00 0.00 0.00 175.10 175.00 2k1q s ILE 114 N 1.52 4.30 -0.01 2.22 -1.09 -1.20 -4.91 121.20 122.04 2k1q s ILE 114 Ca 0.06 -0.38 -0.30 0.00 -2.23 0.00 0.00 60.65 57.80 2k1q s ILE 114 Cb -0.15 -3.12 -0.07 0.00 -1.58 0.00 0.00 42.46 37.54 2k1q s ILE 114 CO -0.01 0.19 1.76 -2.16 -1.23 0.00 0.00 174.94 173.49 2k1q s PRO 115 N 1.58 4.17 -0.13 2.79 0.04 -1.26 -3.27 135.00 138.92 2k1q s PRO 115 Ca 0.05 2.35 0.03 0.00 0.04 0.00 0.00 61.00 63.47 2k1q s PRO 115 Cb -0.16 -3.99 0.01 0.00 0.04 0.00 0.00 34.50 30.40 2k1q s PRO 115 CO 0.04 -0.87 -0.22 0.08 0.04 0.00 0.00 177.00 176.07 2k1q s VAL 116 N 3.97 2.06 -0.06 -0.36 1.01 -0.10 -3.89 120.40 123.03 2k1q s VAL 116 Ca 0.78 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 2k1q s VAL 116 Cb -0.37 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2k1q s VAL 116 CO 0.34 0.55 0.69 -0.60 0.00 0.00 0.00 175.10 176.08 2k1q s ARG 117 N 0.69 4.43 -0.01 2.72 6.06 -1.03 -0.03 118.95 131.77 2k1q s ARG 117 Ca -0.10 0.86 -0.30 0.00 -2.50 0.00 0.00 55.73 53.69 2k1q s ARG 117 Cb -0.16 -3.44 -0.05 0.00 0.06 0.00 0.00 34.95 31.37 2k1q s ARG 117 CO 0.01 0.10 1.27 0.50 -2.50 0.00 0.00 175.30 174.68 2k1q s ARG 118 N 0.68 4.34 -0.16 5.12 3.52 0.12 -0.55 118.95 132.02 2k1q s ARG 118 Ca 0.37 1.80 0.16 0.00 -0.13 0.00 0.00 55.73 57.92 2k1q s ARG 118 Cb -0.18 -3.52 0.34 0.00 -1.56 0.00 0.00 34.95 30.03 2k1q s ARG 118 CO 0.18 -0.46 1.18 0.54 -0.81 0.00 0.00 175.30 175.93 2k1q n ARG 119 N 5.01 1.39 -3.53 5.12 5.12 0.60 -4.89 116.66 125.47 2k1q n ARG 119 Ca 0.11 -2.84 0.00 0.00 -1.93 0.00 0.00 57.85 53.19 2k1q n ARG 119 Cb 0.45 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 2k1q n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k1q n GLY 120 N -1.31 -2.01 0.34 -0.13 0.00 -0.89 -4.80 105.19 96.40 2k1q n GLY 120 Ca 0.17 -1.17 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 2k1q n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k1q h ASP 121 N 0.00 1.11 0.00 1.61 3.32 -1.98 -3.30 116.42 117.18 2k1q h ASP 121 Ca 0.00 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 2k1q h ASP 121 Cb 0.00 -0.29 -0.06 0.00 0.22 0.00 0.00 39.33 39.21 2k1q h ASP 121 CO 0.00 0.98 -0.44 -1.54 -1.72 0.00 0.00 179.24 176.52 2k1q n SER 122 N -4.27 0.93 -4.19 6.45 3.41 -1.26 -4.51 113.62 110.17 2k1q n SER 122 Ca 0.07 -2.46 -0.27 0.00 -0.26 0.00 0.00 58.87 55.96 2k1q n SER 122 Cb 0.19 -0.30 -0.16 0.00 -0.26 0.00 0.00 64.21 63.67 2k1q n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2k1q s ARG 123 N -1.06 1.70 0.24 4.33 6.06 -1.24 -1.79 118.95 127.18 2k1q s ARG 123 Ca 0.17 -0.69 0.01 0.00 -2.50 0.00 0.00 55.73 52.71 2k1q s ARG 123 Cb 0.16 -1.58 -0.05 0.00 0.06 0.00 0.00 34.95 33.54 2k1q s ARG 123 CO -0.02 0.38 0.10 0.20 -2.50 0.00 0.00 175.30 173.46 2k1q s GLY 124 N -0.32 1.63 0.17 8.12 0.00 -0.14 -0.29 107.32 116.48 2k1q s GLY 124 Ca 0.04 -1.81 0.11 0.00 0.00 0.00 0.00 44.72 43.06 2k1q s GLY 124 CO 0.00 -1.53 -0.23 -1.35 0.00 0.00 0.00 173.10 169.99 2k1q s SER 125 N -3.26 3.22 -0.28 1.64 1.04 0.28 -1.87 113.70 114.47 2k1q s SER 125 Ca 0.38 -0.84 -0.12 0.00 0.48 0.00 0.00 55.95 55.85 2k1q s SER 125 Cb 0.08 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 2k1q s SER 125 CO 0.13 0.10 0.22 -0.22 0.98 0.00 0.00 173.24 174.45 2k1q s LEU 126 N -2.53 4.04 0.17 2.42 2.96 0.29 -2.47 118.68 123.56 2k1q s LEU 126 Ca 0.18 0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 54.04 2k1q s LEU 126 Cb -0.08 -2.17 0.06 0.00 0.50 0.00 0.00 46.19 44.49 2k1q s LEU 126 CO 0.08 -0.08 1.55 -0.07 -1.32 0.00 0.00 176.35 176.52 2k1q h LEU 127 N 8.41 0.93 -8.39 -0.68 4.07 -1.84 -3.41 115.31 114.40 2k1q h LEU 127 Ca -0.34 -0.37 -0.67 0.00 0.08 0.00 0.00 57.88 56.57 2k1q h LEU 127 Cb 1.18 -0.26 -0.27 0.00 1.08 0.00 0.00 40.66 42.40 2k1q h LEU 127 CO 0.57 1.14 -0.65 -0.44 -1.08 0.00 0.00 178.44 177.98 2k1q s SER 128 N -6.77 4.94 -0.13 -0.43 0.01 -1.26 -5.06 113.70 104.99 2k1q s SER 128 Ca -0.10 -0.63 -0.29 0.00 1.31 0.00 0.00 55.95 56.24 2k1q s SER 128 Cb 0.12 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 2k1q s SER 128 CO 0.86 -0.14 1.78 -2.16 0.41 0.00 0.00 173.24 173.99 2k1q s PRO 129 N 1.49 3.85 0.25 12.44 0.04 -1.26 -4.98 135.00 146.83 2k1q s PRO 129 Ca 0.03 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.19 2k1q s PRO 129 Cb -0.16 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.23 2k1q s PRO 129 CO 0.01 -1.25 -0.18 1.03 0.04 0.00 0.00 177.00 176.66 2k1q s ARG 130 N 4.74 1.54 0.62 4.56 0.52 -1.24 -4.95 118.95 124.73 2k1q s ARG 130 Ca 0.79 -1.70 -0.17 0.00 -0.52 0.00 0.00 55.73 54.13 2k1q s ARG 130 Cb -0.31 -1.50 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 2k1q s ARG 130 CO 0.32 0.27 1.16 -1.25 0.02 0.00 0.00 175.30 175.82 2k1q s PRO 131 N -3.57 2.91 0.46 3.54 0.04 -1.26 -1.61 135.00 135.51 2k1q s PRO 131 Ca 0.27 1.63 0.11 0.00 0.04 0.00 0.00 61.00 63.05 2k1q s PRO 131 Cb -0.03 -1.94 1.03 0.00 0.04 0.00 0.00 34.50 33.60 2k1q s PRO 131 CO 0.12 -1.21 2.09 -0.39 0.04 0.00 0.00 177.00 177.65 2k1q h VAL 132 N 0.56 1.07 -0.87 -0.36 -1.51 -1.60 -2.03 116.25 111.50 2k1q h VAL 132 Ca -0.49 -0.15 0.01 0.00 -1.23 0.00 0.00 66.70 64.84 2k1q h VAL 132 Cb 1.27 0.77 -0.04 0.00 -2.13 0.00 0.00 31.29 31.16 2k1q h VAL 132 CO 0.55 0.07 0.58 -1.28 -1.23 0.00 0.00 177.57 176.25 2k1q h SER 133 N 0.29 1.00 -1.01 4.19 0.87 -1.91 -1.23 113.55 115.76 2k1q h SER 133 Ca 0.08 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2k1q h SER 133 Cb -0.00 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.66 2k1q h SER 133 CO -0.01 0.72 0.67 0.22 -0.53 0.00 0.00 176.83 177.90 2k1q h TYR 134 N 1.18 1.26 0.00 2.24 3.20 -1.73 -2.14 116.97 120.98 2k1q h TYR 134 Ca 0.32 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.22 2k1q h TYR 134 Cb -0.13 -0.43 0.00 0.00 1.54 0.00 0.00 36.73 37.71 2k1q h TYR 134 CO -0.00 0.79 -0.13 -0.07 -1.64 0.00 0.00 178.16 177.11 2k1q h LEU 135 N 1.36 0.00 -9.95 2.82 4.07 -1.44 -3.46 115.31 108.72 2k1q h LEU 135 Ca 0.37 -0.01 -0.54 0.00 0.08 0.00 0.00 57.88 57.78 2k1q h LEU 135 Cb -0.16 0.00 0.11 0.00 1.08 0.00 0.00 40.66 41.69 2k1q h LEU 135 CO -0.08 0.01 0.78 -0.54 -1.08 0.00 0.00 178.44 177.53 2k1q s LYS 136 N -3.19 4.10 0.00 1.13 -0.14 -0.52 -2.32 119.74 118.79 2k1q s LYS 136 Ca 0.07 2.58 0.00 0.00 -1.36 0.00 0.00 55.97 57.26 2k1q s LYS 136 Cb 0.08 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 2k1q s LYS 136 CO 0.67 -0.54 0.00 0.41 -0.76 0.00 0.00 175.35 175.13 2k1q n GLY 137 N 0.45 0.63 0.03 -3.33 0.00 -1.26 -4.91 105.19 96.80 2k1q n GLY 137 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.78 2k1q n GLY 137 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k1q n SER 138 N 0.50 0.40 -4.77 1.61 3.41 -0.98 -4.23 113.62 109.55 2k1q n SER 138 Ca 0.00 -0.70 -0.41 0.00 -0.26 0.00 0.00 58.87 57.50 2k1q n SER 138 Cb 0.00 0.83 -0.00 0.00 -0.26 0.00 0.00 64.21 64.78 2k1q n SER 138 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k1q n SER 139 N -0.86 3.87 0.00 4.04 2.88 -1.26 -1.66 113.62 120.62 2k1q n SER 139 Ca 0.01 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 2k1q n SER 139 Cb 0.07 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 61.91 2k1q n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k1q n GLY 140 N 0.76 3.26 3.74 0.46 0.00 -0.41 -3.12 105.19 109.88 2k1q n GLY 140 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2k1q n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1q s GLY 141 N -2.69 2.61 0.15 -0.02 0.00 -0.66 -3.71 107.32 102.99 2k1q s GLY 141 Ca 0.00 1.00 -0.07 0.00 0.00 0.00 0.00 44.72 45.65 2k1q s GLY 141 CO 0.00 1.41 0.43 2.56 0.00 0.00 0.00 173.10 177.50 2k1q s PRO 142 N -3.58 3.71 -0.17 2.90 0.04 -1.26 -2.07 135.00 134.56 2k1q s PRO 142 Ca 0.77 0.08 -0.07 0.00 0.04 0.00 0.00 61.00 61.83 2k1q s PRO 142 Cb -0.32 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 2k1q s PRO 142 CO 0.40 0.45 0.04 -0.51 0.04 0.00 0.00 177.00 177.42 2k1q s LEU 143 N -2.52 3.72 -0.10 -3.56 1.02 -0.24 -3.50 118.68 113.51 2k1q s LEU 143 Ca 0.41 0.05 0.04 0.00 0.02 0.00 0.00 54.13 54.65 2k1q s LEU 143 Cb -0.12 -1.93 -0.01 0.00 0.02 0.00 0.00 46.19 44.15 2k1q s LEU 143 CO 0.22 0.18 -0.21 -0.76 0.02 0.00 0.00 176.35 175.80 2k1q s LEU 144 N 0.32 2.25 0.75 1.79 1.02 -0.20 0.32 118.68 124.93 2k1q s LEU 144 Ca 0.02 -0.48 -0.11 0.00 0.02 0.00 0.00 54.13 53.57 2k1q s LEU 144 Cb -0.13 -1.45 0.05 0.00 0.02 0.00 0.00 46.19 44.68 2k1q s LEU 144 CO 0.01 0.19 1.09 0.00 0.02 0.00 0.00 176.35 177.66 2k1q h PRO 146 N -0.92 0.00 -0.84 0.00 0.13 -1.92 -0.08 132.00 128.37 2k1q h PRO 146 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 2k1q h PRO 146 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2k1q h PRO 146 CO 0.52 0.00 0.39 0.77 -0.23 0.00 0.00 178.00 179.45 2k1q h SER 147 N 0.00 1.12 0.00 1.44 0.02 -1.96 -3.46 113.55 110.71 2k1q h SER 147 Ca 0.26 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2k1q h SER 147 Cb 1.31 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2k1q h SER 147 CO -0.00 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 2k1q n GLY 148 N -0.97 1.32 3.13 -3.77 0.00 -0.04 -5.15 105.19 99.70 2k1q n GLY 148 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2k1q n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k1q s HIS 149 N -1.93 1.03 0.37 1.61 3.76 -1.25 -4.84 115.29 114.03 2k1q s HIS 149 Ca 0.00 -0.46 -0.27 0.00 -0.15 0.00 0.00 55.06 54.18 2k1q s HIS 149 Cb 0.00 -0.59 -0.09 0.00 1.11 0.00 0.00 32.58 33.01 2k1q s HIS 149 CO 0.00 0.01 1.20 0.00 -0.85 0.00 0.00 174.74 175.09 2k1q s ALA 150 N -1.27 3.27 -0.01 -1.40 0.00 0.87 -1.49 121.76 121.73 2k1q s ALA 150 Ca -0.04 1.04 0.03 0.00 0.00 0.00 0.00 51.96 52.98 2k1q s ALA 150 Cb -0.10 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2k1q s ALA 150 CO 0.02 -0.52 0.05 1.33 0.00 0.00 0.00 175.76 176.64 2k1q n VAL 151 N 0.40 0.06 -3.62 0.00 0.24 0.15 -0.21 118.33 115.35 2k1q n VAL 151 Ca 0.02 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2k1q n VAL 151 Cb 0.45 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 2k1q n VAL 151 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k1q n GLY 152 N 2.46 -1.33 3.14 7.63 0.00 -1.24 -2.92 105.19 112.93 2k1q n GLY 152 Ca -0.02 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 2k1q n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k1q s ILE 153 N -3.00 1.25 0.28 -0.61 1.01 -0.65 -1.08 121.20 118.40 2k1q s ILE 153 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 2k1q s ILE 153 Cb 0.00 -1.04 -0.10 0.00 0.01 0.00 0.00 42.46 41.33 2k1q s ILE 153 CO 0.00 0.35 1.39 0.12 0.00 0.00 0.00 174.94 176.81 2k1q s PHE 154 N -0.36 3.02 -0.05 3.97 5.36 -0.88 -1.42 117.98 127.62 2k1q s PHE 154 Ca 0.06 1.17 -0.04 0.00 -0.96 0.00 0.00 56.93 57.16 2k1q s PHE 154 Cb -0.06 -3.77 -0.03 0.00 -0.34 0.00 0.00 43.02 38.82 2k1q s PHE 154 CO -0.01 -2.39 -0.09 -2.13 -1.46 0.00 0.00 175.22 169.15 2k1q n ARG 155 N 1.77 0.14 -3.63 10.12 0.00 -0.48 -1.28 116.66 123.30 2k1q n ARG 155 Ca 0.04 0.06 -0.10 0.00 -0.00 0.00 0.00 57.85 57.85 2k1q n ARG 155 Cb 0.41 -0.75 -0.05 0.00 0.00 0.00 0.00 32.46 32.08 2k1q n ARG 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k1q s ALA 156 N -2.15 -0.94 0.11 5.13 0.00 -1.21 -4.86 121.76 117.85 2k1q s ALA 156 Ca -0.09 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2k1q s ALA 156 Cb 0.03 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2k1q s ALA 156 CO 0.12 -0.65 -0.02 0.00 0.00 0.00 0.00 175.76 175.22 2k1q s ALA 157 N -3.80 3.21 -0.24 0.00 0.00 -1.26 -1.64 121.76 118.02 2k1q s ALA 157 Ca 0.03 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 2k1q s ALA 157 Cb 0.02 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 2k1q s ALA 157 CO -0.12 0.64 0.03 0.08 0.00 0.00 0.00 175.76 176.39 2k1q s VAL 158 N -1.39 3.97 0.11 0.00 1.01 0.03 -4.96 120.40 119.16 2k1q s VAL 158 Ca 0.25 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2k1q s VAL 158 Cb -0.11 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2k1q s VAL 158 CO 0.18 0.35 -0.08 0.00 0.00 0.00 0.00 175.10 175.54 2k1q n THR 160 N 0.05 1.53 -3.12 0.00 -2.24 -0.97 -4.83 114.28 104.70 2k1q n THR 160 Ca -0.12 -0.35 -0.18 0.00 -2.27 0.00 0.00 64.05 61.13 2k1q n THR 160 Cb 0.60 -1.91 -0.02 0.00 -2.10 0.00 0.00 70.33 66.90 2k1q n THR 160 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k1q n ARG 161 N -4.26 0.94 -0.13 -0.78 1.74 -1.26 -4.89 116.66 108.01 2k1q n ARG 161 Ca -0.52 -3.14 0.00 0.00 -0.77 0.00 0.00 57.85 53.42 2k1q n ARG 161 Cb 0.86 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 2k1q n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k1q n GLY 162 N 0.48 1.31 3.26 -0.13 0.00 -1.26 -5.03 105.19 103.81 2k1q n GLY 162 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 2k1q n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1q s VAL 163 N -2.62 2.59 -0.19 1.61 1.01 -1.26 -1.45 120.40 120.08 2k1q s VAL 163 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 2k1q s VAL 163 Cb 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 2k1q s VAL 163 CO 0.00 0.52 0.28 0.00 0.00 0.00 0.00 175.10 175.90 2k1q s ALA 164 N 0.76 3.59 -0.20 5.51 0.00 -0.63 -2.29 121.76 128.51 2k1q s ALA 164 Ca -0.07 -0.58 0.14 0.00 0.00 0.00 0.00 51.96 51.46 2k1q s ALA 164 Cb -0.15 -2.42 -0.20 0.00 0.00 0.00 0.00 23.12 20.35 2k1q s ALA 164 CO 0.01 -0.06 0.39 1.63 0.00 0.00 0.00 175.76 177.72 2k1q n LYS 165 N 3.94 1.01 -3.86 0.00 5.02 -0.77 -3.71 118.16 119.78 2k1q n LYS 165 Ca -0.12 -0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 55.99 2k1q n LYS 165 Cb 0.52 -1.28 -0.07 0.00 -0.02 0.00 0.00 35.03 34.17 2k1q n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k1q s ALA 166 N -2.78 -0.21 0.12 7.82 0.00 -1.23 0.11 121.76 125.58 2k1q s ALA 166 Ca -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2k1q s ALA 166 Cb 0.09 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 2k1q s ALA 166 CO 0.58 -0.50 -0.08 0.14 0.00 0.00 0.00 175.76 175.90 2k1q s VAL 167 N -3.81 0.92 -0.04 0.00 -7.23 -0.78 -0.79 120.40 108.67 2k1q s VAL 167 Ca 0.05 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 2k1q s VAL 167 Cb 0.05 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 2k1q s VAL 167 CO -0.11 -0.81 -0.25 -0.62 -0.31 0.00 0.00 175.10 173.00 2k1q s ASP 168 N -3.10 3.14 0.04 4.85 -1.08 -0.65 -0.97 116.67 118.89 2k1q s ASP 168 Ca 0.14 -0.46 -0.01 0.00 -0.52 0.00 0.00 52.55 51.70 2k1q s ASP 168 Cb 0.04 -0.55 -0.03 0.00 -1.46 0.00 0.00 42.92 40.92 2k1q s ASP 168 CO -0.02 0.30 -0.02 0.72 0.52 0.00 0.00 175.17 176.66 2k1q s PHE 169 N -0.47 0.39 -0.19 -5.34 -0.71 -0.74 -1.38 117.98 109.54 2k1q s PHE 169 Ca 0.06 -0.81 -0.16 0.00 -1.04 0.00 0.00 56.93 54.98 2k1q s PHE 169 Cb -0.11 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.37 2k1q s PHE 169 CO 0.01 -0.30 0.39 0.08 -1.34 0.00 0.00 175.22 174.05 2k1q s VAL 170 N -2.85 5.21 0.76 -2.49 1.01 -0.50 -4.45 120.40 117.09 2k1q s VAL 170 Ca -0.03 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 2k1q s VAL 170 Cb 0.00 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.71 2k1q s VAL 170 CO -0.06 0.27 1.11 -2.16 0.00 0.00 0.00 175.10 174.26 2k1q s PRO 171 N 1.18 2.24 0.51 2.72 0.04 -1.26 -1.64 135.00 138.80 2k1q s PRO 171 Ca 0.19 1.29 0.27 0.00 0.04 0.00 0.00 61.00 62.79 2k1q s PRO 171 Cb -0.15 -1.89 1.39 0.00 0.04 0.00 0.00 34.50 33.90 2k1q s PRO 171 CO 0.08 -1.67 2.04 0.28 0.04 0.00 0.00 177.00 177.77 2k1q h VAL 172 N -0.90 0.56 -0.83 -0.36 2.07 -1.89 -2.84 116.25 112.06 2k1q h VAL 172 Ca -0.44 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.52 2k1q h VAL 172 Cb 1.24 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 2k1q h VAL 172 CO 0.51 0.13 0.55 -0.08 0.02 0.00 0.00 177.57 178.69 2k1q h GLU 173 N 0.00 0.98 -0.45 1.57 4.57 -1.91 -1.70 114.58 117.65 2k1q h GLU 173 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2k1q h GLU 173 Cb 0.38 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2k1q h GLU 173 CO 0.02 0.65 0.29 0.66 -1.18 0.00 0.00 179.01 179.45 2k1q h SER 174 N 1.01 0.52 -0.94 1.04 4.64 -1.87 -2.22 113.55 115.73 2k1q h SER 174 Ca 0.33 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 2k1q h SER 174 Cb 0.06 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 2k1q h SER 174 CO -0.10 0.38 0.55 0.24 -0.87 0.00 0.00 176.83 177.02 2k1q h MET 175 N 0.61 1.28 -0.77 4.77 2.86 -1.46 -1.79 114.93 120.44 2k1q h MET 175 Ca 0.16 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2k1q h MET 175 Cb -0.06 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.30 2k1q h MET 175 CO -0.03 0.91 0.48 1.49 1.06 0.00 0.00 176.91 180.82 2k1q h GLU 176 N 1.30 1.03 -0.35 1.72 4.81 -1.42 -2.08 114.58 119.58 2k1q h GLU 176 Ca 0.33 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.32 2k1q h GLU 176 Cb -0.03 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 2k1q h GLU 176 CO -0.06 0.71 -0.42 1.79 -0.73 0.00 0.00 179.01 180.30 2k1q h THR 177 N 1.04 1.27 0.00 0.32 1.35 -1.44 -1.21 112.91 114.25 2k1q h THR 177 Ca 0.28 -1.60 -0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2k1q h THR 177 Cb -0.07 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2k1q h THR 177 CO -0.06 0.53 -0.00 0.74 -0.25 0.00 0.00 175.52 176.48 2k1q h THR 178 N 0.72 1.00 -0.46 6.82 2.02 -1.02 0.14 112.91 122.13 2k1q h THR 178 Ca 0.05 -0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.09 2k1q h THR 178 Cb 1.01 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2k1q h THR 178 CO 0.10 0.00 -0.26 -0.03 0.37 0.00 0.00 175.52 175.70 2k1q h MET 179 N -0.01 0.99 -0.77 6.66 -1.53 -1.41 -3.00 114.93 115.87 2k1q h MET 179 Ca -0.00 -0.45 -0.05 0.00 -3.44 0.00 0.00 59.70 55.75 2k1q h MET 179 Cb 0.01 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.00 2k1q h MET 179 CO 0.00 1.12 0.27 -0.09 0.14 0.00 0.00 176.91 178.35 2k1q h ARG 180 N 0.84 1.18 -0.63 0.39 2.43 -1.01 -2.92 114.38 114.67 2k1q h ARG 180 Ca 0.10 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2k1q h ARG 180 Cb 0.85 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 2k1q h ARG 180 CO 0.08 0.98 0.41 0.00 -1.51 0.00 0.00 179.97 179.93 2k1q h ALA 181 N 1.15 0.79 -2.36 2.80 0.00 -0.62 -3.45 119.26 117.56 2k1q h ALA 181 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2k1q h ALA 181 Cb 0.27 -0.25 -0.17 0.00 0.00 0.00 0.00 17.79 17.64 2k1q h ALA 181 CO -0.01 0.23 0.19 -1.54 0.00 0.00 0.00 179.25 178.11 2k1q s SER 182 N -5.77 -0.62 -0.19 0.00 1.04 -1.10 -5.04 113.70 102.02 2k1q s SER 182 Ca -0.13 0.45 0.16 0.00 0.48 0.00 0.00 55.95 56.91 2k1q s SER 182 Cb 0.13 0.56 0.56 0.00 0.10 0.00 0.00 66.02 67.37 2k1q s SER 182 CO 0.76 -0.74 1.46 0.29 0.98 0.00 0.00 173.24 175.99 2k1q n LYS 183 N 0.45 3.09 -3.88 4.02 5.02 -1.26 -4.39 118.16 121.22 2k1q n LYS 183 Ca -0.18 -2.89 -0.30 0.00 -2.02 0.00 0.00 58.31 52.92 2k1q n LYS 183 Cb 0.60 -1.89 0.03 0.00 -0.02 0.00 0.00 35.03 33.75 2k1q n LYS 183 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k1q n LYS 184 N -0.42 -5.85 -3.67 1.97 4.81 -1.26 -4.95 118.16 108.79 2k1q n LYS 184 Ca 0.22 0.63 -0.36 0.00 -0.87 0.00 0.00 58.31 57.93 2k1q n LYS 184 Cb 0.93 -5.54 -0.09 0.00 0.02 0.00 0.00 35.03 30.34 2k1q n LYS 184 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2k1q s LYS 185 N -6.59 4.09 0.00 1.64 2.20 -1.26 -5.06 119.74 114.76 2k1q s LYS 185 Ca 0.66 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 2k1q s LYS 185 Cb -0.33 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2k1q s LYS 185 CO 0.82 0.10 0.47 0.36 -0.36 0.00 0.00 175.35 176.73