#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1q n GLY 23 N 0.00 -2.02 3.93 3.38 0.00 -1.26 -4.95 105.19 104.28 2k1q n GLY 23 Ca 0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 2k1q n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1q n ARG 24 N 0.00 -5.44 -3.30 1.61 1.74 -1.26 -4.93 116.66 105.08 2k1q n ARG 24 Ca 0.00 0.59 -0.15 0.00 -0.77 0.00 0.00 57.85 57.52 2k1q n ARG 24 Cb 0.00 -5.48 -0.06 0.00 -1.02 0.00 0.00 32.46 25.90 2k1q n ARG 24 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k1q s ASP 25 N -3.30 0.66 0.06 0.55 -1.08 -1.26 -5.14 116.67 107.16 2k1q s ASP 25 Ca 0.68 -1.65 0.04 0.00 -0.52 0.00 0.00 52.55 51.10 2k1q s ASP 25 Cb -0.34 0.75 -0.03 0.00 -1.46 0.00 0.00 42.92 41.84 2k1q s ASP 25 CO 0.84 -0.22 -0.12 -0.54 0.52 0.00 0.00 175.17 175.64 2k1q s LYS 26 N 1.30 0.72 -0.25 4.34 -0.14 -1.26 -5.04 119.74 119.41 2k1q s LYS 26 Ca 0.19 -0.89 0.12 0.00 -1.36 0.00 0.00 55.97 54.04 2k1q s LYS 26 Cb -0.11 -0.65 0.55 0.00 -1.68 0.00 0.00 37.83 35.94 2k1q s LYS 26 CO -0.04 0.14 1.51 0.09 -0.76 0.00 0.00 175.35 176.28 2k1q n ASN 27 N 1.33 3.47 -4.68 2.83 3.02 -1.26 -4.99 115.26 114.98 2k1q n ASN 27 Ca -0.22 -3.35 -0.29 0.00 -0.03 0.00 0.00 54.58 50.69 2k1q n ASN 27 Cb 0.54 -0.62 -0.08 0.00 -0.61 0.00 0.00 39.78 39.02 2k1q n ASN 27 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2k1q s GLN 28 N -3.03 2.51 0.05 3.52 -0.21 -1.26 -5.10 119.66 116.14 2k1q s GLN 28 Ca 0.45 -0.91 -0.22 0.00 0.02 0.00 0.00 55.36 54.70 2k1q s GLN 28 Cb 0.38 -2.49 -0.06 0.00 1.00 0.00 0.00 33.01 31.84 2k1q s GLN 28 CO 0.06 0.52 0.67 0.54 -2.12 0.00 0.00 175.29 174.96 2k1q s VAL 29 N -1.42 4.74 0.35 1.09 0.11 -1.26 -5.03 120.40 118.97 2k1q s VAL 29 Ca 0.26 1.43 -0.28 0.00 -2.93 0.00 0.00 61.98 60.45 2k1q s VAL 29 Cb -0.11 -4.01 -0.10 0.00 -1.53 0.00 0.00 36.38 30.62 2k1q s VAL 29 CO 0.18 0.45 1.35 -1.83 -3.33 0.00 0.00 175.10 171.92 2k1q s GLU 30 N -0.48 4.28 -0.23 1.54 -1.05 -1.26 -5.01 118.70 116.48 2k1q s GLU 30 Ca 0.34 2.30 -0.03 0.00 -0.15 0.00 0.00 54.97 57.42 2k1q s GLU 30 Cb -0.20 -3.03 0.12 0.00 -0.44 0.00 0.00 34.13 30.58 2k1q s GLU 30 CO 0.21 -0.28 0.35 0.20 0.95 0.00 0.00 175.26 176.69 2k1q s GLY 31 N -0.41 -0.34 0.23 -3.83 0.00 -1.26 -5.01 107.32 96.69 2k1q s GLY 31 Ca 0.50 0.84 -0.04 0.00 0.00 0.00 0.00 44.72 46.02 2k1q s GLY 31 CO 0.55 2.56 1.69 0.83 0.00 0.00 0.00 173.10 178.73 2k1q h GLU 32 N 8.20 0.85 -5.14 2.90 5.08 -1.94 -3.41 114.58 121.12 2k1q h GLU 32 Ca -0.19 -0.28 -0.64 0.00 -1.00 0.00 0.00 59.36 57.26 2k1q h GLU 32 Cb 1.15 -0.07 -0.21 0.00 0.50 0.00 0.00 28.75 30.12 2k1q h GLU 32 CO 0.26 0.90 -0.63 0.08 -1.00 0.00 0.00 179.01 178.62 2k1q s VAL 33 N -4.86 4.19 0.01 3.13 1.01 -1.26 -2.33 120.40 120.28 2k1q s VAL 33 Ca -0.10 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2k1q s VAL 33 Cb 0.14 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2k1q s VAL 33 CO 0.83 0.42 -0.17 -1.10 0.00 0.00 0.00 175.10 175.08 2k1q s GLN 34 N 0.92 2.21 0.05 2.72 -0.21 -1.22 -4.98 119.66 119.15 2k1q s GLN 34 Ca 0.02 -0.89 -0.29 0.00 0.02 0.00 0.00 55.36 54.23 2k1q s GLN 34 Cb -0.14 -2.24 -0.05 0.00 1.00 0.00 0.00 33.01 31.58 2k1q s GLN 34 CO 0.02 0.57 0.91 0.54 -2.12 0.00 0.00 175.29 175.21 2k1q s VAL 35 N -0.85 4.71 0.18 1.09 0.11 -1.26 -3.02 120.40 121.36 2k1q s VAL 35 Ca 0.13 1.93 0.06 0.00 -2.93 0.00 0.00 61.98 61.18 2k1q s VAL 35 Cb -0.10 -4.26 -0.05 0.00 -1.53 0.00 0.00 36.38 30.44 2k1q s VAL 35 CO 0.04 0.27 -0.13 0.68 -3.33 0.00 0.00 175.10 172.63 2k1q s VAL 36 N 0.40 1.49 0.06 2.04 -7.23 -0.81 -4.05 120.40 112.30 2k1q s VAL 36 Ca 0.46 -2.14 -0.01 0.00 -1.81 0.00 0.00 61.98 58.49 2k1q s VAL 36 Cb -0.22 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 2k1q s VAL 36 CO 0.27 -0.66 -0.03 -0.44 -0.31 0.00 0.00 175.10 173.94 2k1q s SER 37 N -3.23 0.56 0.31 4.85 0.01 -0.15 -2.09 113.70 113.97 2k1q s SER 37 Ca 0.20 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.46 2k1q s SER 37 Cb 0.01 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.42 2k1q s SER 37 CO 0.04 -0.59 0.08 0.41 0.41 0.00 0.00 173.24 173.59 2k1q n THR 38 N 0.07 0.00 0.79 1.44 -1.04 0.70 -1.87 114.28 114.37 2k1q n THR 38 Ca -0.13 -1.73 0.13 0.00 -2.04 0.00 0.00 64.05 60.28 2k1q n THR 38 Cb 0.61 0.56 0.50 0.00 -1.82 0.00 0.00 70.33 70.19 2k1q n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1q n ALA 39 N -1.64 2.28 0.00 2.41 0.00 -1.26 -4.06 120.51 118.24 2k1q n ALA 39 Ca -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2k1q n ALA 39 Cb 0.45 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.90 0.00 -3.91 0.00 -2.24 -1.26 -5.10 114.28 99.87 2k1q n THR 40 Ca 0.06 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 2k1q n THR 40 Cb 0.38 -1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 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 -2.00 1.66 0.18 -0.78 -2.07 -1.26 -5.18 119.66 110.22 2k1q s GLN 41 Ca 0.00 -1.08 0.08 0.00 -1.82 0.00 0.00 55.36 52.53 2k1q s GLN 41 Cb 0.00 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.42 2k1q s GLN 41 CO 0.00 -0.73 -0.15 -1.54 -1.32 0.00 0.00 175.29 171.55 2k1q s SER 42 N -2.96 2.48 0.11 12.60 1.04 -1.26 -0.22 113.70 125.50 2k1q s SER 42 Ca 0.15 -0.96 -0.14 0.00 0.48 0.00 0.00 55.95 55.48 2k1q s SER 42 Cb -0.03 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.01 2k1q s SER 42 CO 0.07 -0.15 0.68 2.22 0.98 0.00 0.00 173.24 177.04 2k1q n PHE 43 N -0.11 -1.04 -4.03 5.02 1.16 -0.89 -4.54 117.46 113.03 2k1q n PHE 43 Ca -0.10 -0.80 -0.27 0.00 -1.87 0.00 0.00 57.45 54.41 2k1q n PHE 43 Cb 0.59 0.39 -0.03 0.00 -1.61 0.00 0.00 39.48 38.82 2k1q n PHE 43 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2k1q s LEU 44 N 0.00 2.77 0.09 5.98 1.43 0.01 -1.92 118.68 127.04 2k1q s LEU 44 Ca 0.15 -1.24 -0.10 0.00 -1.03 0.00 0.00 54.13 51.91 2k1q s LEU 44 Cb -0.02 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.97 2k1q s LEU 44 CO 0.03 -0.93 0.22 0.00 0.23 0.00 0.00 176.35 175.90 2k1q s ALA 45 N -2.73 -0.33 -0.09 4.21 0.00 -1.17 -3.77 121.76 117.88 2k1q s ALA 45 Ca 0.32 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.79 2k1q s ALA 45 Cb -0.01 0.51 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 2k1q s ALA 45 CO 0.19 -0.53 -0.24 0.95 0.00 0.00 0.00 175.76 176.13 2k1q s THR 46 N -3.85 2.04 -0.44 0.00 -4.23 -0.83 -3.38 115.64 104.95 2k1q s THR 46 Ca 0.05 -1.02 -0.20 0.00 -1.18 0.00 0.00 61.69 59.34 2k1q s THR 46 Cb 0.04 -1.76 0.03 0.00 1.34 0.00 0.00 72.50 72.15 2k1q s THR 46 CO -0.11 0.56 0.62 0.00 -0.54 0.00 0.00 174.62 175.15 2k1q s VAL 48 N 2.74 2.19 -1.43 0.00 1.01 0.71 -1.09 120.40 124.53 2k1q s VAL 48 Ca 0.21 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 2k1q s VAL 48 Cb -0.15 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.43 2k1q s VAL 48 CO 0.18 0.56 1.05 -3.20 0.00 0.00 0.00 175.10 173.68 2k1q n ASN 49 N 3.33 -5.82 -0.80 3.32 2.85 -1.26 -1.39 115.26 115.48 2k1q n ASN 49 Ca -0.18 -0.58 -0.10 0.00 -0.11 0.00 0.00 54.58 53.60 2k1q n ASN 49 Cb 0.53 -4.61 -0.04 0.00 1.24 0.00 0.00 39.78 36.89 2k1q n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k1q n GLY 50 N -1.84 1.18 2.91 8.20 0.00 -1.26 -5.00 105.19 109.38 2k1q n GLY 50 Ca 0.01 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.39 0.61 0.51 1.61 1.01 -0.49 -3.28 120.40 117.98 2k1q s VAL 51 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 2k1q s VAL 51 Cb 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 2k1q s VAL 51 CO 0.00 0.24 1.08 0.00 0.00 0.00 0.00 175.10 176.42 2k1q s TRP 53 N -1.88 1.12 0.21 0.00 0.52 0.17 -2.75 118.94 116.32 2k1q s TRP 53 Ca 0.70 -0.50 -0.21 0.00 0.02 0.00 0.00 56.10 56.11 2k1q s TRP 53 Cb -0.20 -0.63 0.07 0.00 -1.15 0.00 0.00 33.47 31.57 2k1q s TRP 53 CO 0.23 0.03 1.02 -2.37 0.02 0.00 0.00 176.95 175.88 2k1q n THR 54 N 1.16 0.00 -3.75 2.01 5.66 -0.97 -1.96 114.28 116.43 2k1q n THR 54 Ca -0.20 -0.61 -0.33 0.00 -3.05 0.00 0.00 64.05 59.86 2k1q n THR 54 Cb 0.55 0.80 -0.05 0.00 -1.55 0.00 0.00 70.33 70.08 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 -2.06 5.26 0.14 1.08 0.11 -1.26 -2.86 120.40 120.80 2k1q s VAL 55 Ca 0.22 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.12 2k1q s VAL 55 Cb -0.03 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.19 2k1q s VAL 55 CO 0.06 0.19 1.80 0.22 -3.33 0.00 0.00 175.10 174.04 2k1q h TYR 56 N 3.35 0.39 0.00 1.54 3.20 -1.46 -0.23 116.97 123.75 2k1q h TYR 56 Ca -0.47 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 2k1q h TYR 56 Cb 1.18 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 2k1q h TYR 56 CO 0.64 0.25 -0.10 1.12 -1.64 0.00 0.00 178.16 178.43 2k1q h HIS 57 N 0.42 0.00 0.00 -3.82 2.07 -1.95 0.30 115.15 112.16 2k1q h HIS 57 Ca 0.11 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.57 2k1q h HIS 57 Cb -0.05 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.93 2k1q h HIS 57 CO -0.05 0.10 -0.38 0.78 -3.07 0.00 0.00 177.93 175.30 2k1q h GLY 58 N 0.84 0.00 0.00 6.13 0.00 -1.84 -3.44 103.07 104.76 2k1q h GLY 58 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 2k1q h GLY 58 CO 0.01 0.00 -0.87 0.00 0.00 0.00 0.00 176.54 175.69 2k1q n ALA 59 N -2.96 1.92 -0.47 3.60 0.00 -0.14 -4.93 120.51 117.52 2k1q n ALA 59 Ca -0.14 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2k1q n ALA 59 Cb 0.42 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 2.33 -0.80 2.70 0.00 0.00 0.10 -3.95 105.19 105.58 2k1q n GLY 60 Ca -0.13 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.23 6.22 -4.19 1.61 3.41 -1.26 -4.92 113.62 113.26 2k1q n SER 61 Ca 0.00 -3.09 -0.11 0.00 -0.26 0.00 0.00 58.87 55.41 2k1q n SER 61 Cb 0.00 -1.45 -0.10 0.00 -0.26 0.00 0.00 64.21 62.40 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 0.02 1.12 0.34 4.33 1.02 -1.25 -5.05 119.74 120.26 2k1q s LYS 62 Ca 0.46 -1.57 -0.29 0.00 0.02 0.00 0.00 55.97 54.59 2k1q s LYS 62 Cb 0.13 0.22 -0.10 0.00 -0.52 0.00 0.00 37.83 37.56 2k1q s LYS 62 CO -0.03 -0.34 1.37 0.99 -0.92 0.00 0.00 175.35 176.41 2k1q s THR 63 N -4.09 2.53 -0.04 2.17 2.01 -1.26 -4.70 115.64 112.25 2k1q s THR 63 Ca 0.34 0.52 0.06 0.00 0.31 0.00 0.00 61.69 62.92 2k1q s THR 63 Cb 0.07 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 2k1q s THR 63 CO 0.09 0.12 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.71 2k1q s LEU 64 N -1.77 2.35 -0.41 4.42 2.96 -1.16 -4.91 118.68 120.15 2k1q s LEU 64 Ca 0.51 -0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 53.90 2k1q s LEU 64 Cb -0.42 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 44.85 2k1q s LEU 64 CO 0.55 0.31 0.35 0.00 -1.32 0.00 0.00 176.35 176.24 2k1q s ALA 65 N -0.56 3.46 0.53 5.97 0.00 -0.78 -1.48 121.76 128.90 2k1q s ALA 65 Ca 0.08 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.42 2k1q s ALA 65 Cb -0.11 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.09 2k1q s ALA 65 CO 0.00 -1.50 0.25 0.41 0.00 0.00 0.00 175.76 174.92 2k1q n GLY 66 N 5.14 3.06 0.25 0.00 0.00 -0.36 -0.97 105.19 112.31 2k1q n GLY 66 Ca -0.10 -2.33 0.04 0.00 0.00 0.00 0.00 46.02 43.63 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 0.23 -0.02 1.61 0.13 -1.98 -2.09 132.00 129.88 2k1q h PRO 67 Ca -0.38 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.57 2k1q h PRO 67 Cb 1.27 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2k1q h PRO 67 CO 0.60 0.31 -0.66 0.87 -0.23 0.00 0.00 178.00 178.89 2k1q h LYS 68 N 0.22 0.10 0.00 0.86 1.57 -1.95 -3.49 116.57 113.88 2k1q h LYS 68 Ca 0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2k1q h LYS 68 Cb 0.25 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2k1q h LYS 68 CO 0.01 0.72 0.00 0.41 -0.57 0.00 0.00 179.45 180.02 2k1q n GLY 69 N 0.38 0.71 3.78 3.86 0.00 -0.79 -5.08 105.19 108.05 2k1q n GLY 69 Ca -0.02 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 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 3.89 -0.01 1.61 0.04 -1.26 -1.23 135.00 136.04 2k1q s PRO 70 Ca 0.00 1.59 0.04 0.00 0.04 0.00 0.00 61.00 62.67 2k1q s PRO 70 Cb 0.00 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 2k1q s PRO 70 CO 0.00 -0.40 -0.13 0.42 0.04 0.00 0.00 177.00 176.93 2k1q s ILE 71 N -1.68 1.03 -0.04 0.56 1.01 -0.55 -4.92 121.20 116.61 2k1q s ILE 71 Ca 0.63 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 2k1q s ILE 71 Cb -0.24 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2k1q s ILE 71 CO 0.29 0.29 0.17 0.28 0.00 0.00 0.00 174.94 175.97 2k1q s THR 72 N -0.31 5.46 0.24 2.92 -1.32 -1.26 -3.00 115.64 118.37 2k1q s THR 72 Ca 0.05 -0.04 -0.10 0.00 -1.21 0.00 0.00 61.69 60.39 2k1q s THR 72 Cb -0.05 -3.50 -0.07 0.00 -1.51 0.00 0.00 72.50 67.37 2k1q s THR 72 CO -0.00 0.42 0.58 0.00 -2.21 0.00 0.00 174.62 173.40 2k1q s GLN 73 N -1.66 3.83 -0.03 7.08 0.00 -1.26 -3.19 119.66 124.43 2k1q s GLN 73 Ca 0.24 0.33 0.04 0.00 -0.00 0.00 0.00 55.36 55.96 2k1q s GLN 73 Cb -0.12 -2.62 -0.06 0.00 0.00 0.00 0.00 33.01 30.21 2k1q s GLN 73 CO 0.14 0.29 0.05 -1.33 0.00 0.00 0.00 175.29 174.44 2k1q n MET 74 N -0.17 2.05 -5.10 9.60 2.81 -0.63 -4.89 117.12 120.79 2k1q n MET 74 Ca 0.01 -0.02 -0.28 0.00 -1.81 0.00 0.00 57.70 55.60 2k1q n MET 74 Cb 0.52 -1.10 -0.16 0.00 -0.71 0.00 0.00 33.22 31.77 2k1q n MET 74 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2k1q s TYR 75 N -2.18 2.00 -0.03 2.03 2.02 -1.19 -5.00 117.35 115.00 2k1q s TYR 75 Ca -0.02 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 2k1q s TYR 75 Cb 0.02 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.31 2k1q s TYR 75 CO 0.17 -0.04 0.07 0.99 -1.57 0.00 0.00 175.55 175.17 2k1q s THR 76 N -0.52 -0.04 -0.32 -0.71 2.01 -1.26 -2.54 115.64 112.27 2k1q s THR 76 Ca 0.08 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.22 2k1q s THR 76 Cb -0.09 -0.12 0.14 0.00 0.01 0.00 0.00 72.50 72.44 2k1q s THR 76 CO -0.01 0.05 0.29 0.21 -0.69 0.00 0.00 174.62 174.47 2k1q s ASN 77 N 0.71 1.94 0.13 3.53 3.84 -0.54 -5.00 114.94 119.55 2k1q s ASN 77 Ca -0.06 -1.28 -0.14 0.00 0.21 0.00 0.00 52.86 51.60 2k1q s ASN 77 Cb -0.08 0.29 -0.01 0.00 -0.55 0.00 0.00 41.25 40.90 2k1q s ASN 77 CO -0.03 -0.34 1.58 0.58 -2.79 0.00 0.00 177.10 176.10 2k1q h VAL 78 N 5.74 1.26 -0.01 -5.21 2.07 -1.84 0.48 116.25 118.74 2k1q h VAL 78 Ca -0.06 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2k1q h VAL 78 Cb 1.05 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2k1q h VAL 78 CO 0.30 0.35 0.01 0.44 0.02 0.00 0.00 177.57 178.69 2k1q h ASP 79 N 0.59 0.01 0.79 0.57 3.32 -1.95 -2.21 116.42 117.54 2k1q h ASP 79 Ca 0.12 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2k1q h ASP 79 Cb 0.49 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2k1q h ASP 79 CO 0.02 0.01 -0.07 1.67 -1.72 0.00 0.00 179.24 179.15 2k1q n GLN 80 N -5.08 0.15 -3.61 3.56 -0.06 -1.20 -4.93 117.38 106.21 2k1q n GLN 80 Ca -0.07 -0.02 -0.22 0.00 -2.00 0.00 0.00 57.00 54.69 2k1q n GLN 80 Cb 0.03 -1.50 0.06 0.00 -4.06 0.00 0.00 30.24 24.77 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2k1q n ASP 81 N -1.40 -3.38 -3.90 1.69 2.03 0.16 -4.91 116.55 106.84 2k1q n ASP 81 Ca 0.09 -0.67 -0.14 0.00 0.52 0.00 0.00 54.79 54.59 2k1q n ASP 81 Cb 0.31 -4.66 -0.14 0.00 -0.72 0.00 0.00 41.12 35.91 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 -6.83 1.93 0.06 -2.67 1.43 -0.71 -1.22 118.68 110.68 2k1q s LEU 82 Ca 0.25 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.25 2k1q s LEU 82 Cb -0.12 -0.13 -0.01 0.00 0.03 0.00 0.00 46.19 45.96 2k1q s LEU 82 CO 0.77 0.02 0.11 0.68 0.23 0.00 0.00 176.35 178.15 2k1q s VAL 83 N 0.04 0.15 0.05 -1.59 -7.23 -1.14 -1.46 120.40 109.23 2k1q s VAL 83 Ca -0.00 -1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 58.88 2k1q s VAL 83 Cb -0.02 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 2k1q s VAL 83 CO -0.00 -0.70 -0.01 -0.83 -0.31 0.00 0.00 175.10 173.24 2k1q s GLY 84 N -2.59 0.39 0.29 2.32 0.00 -1.05 -2.28 107.32 104.39 2k1q s GLY 84 Ca 0.02 -1.03 0.10 0.00 0.00 0.00 0.00 44.72 43.81 2k1q s GLY 84 CO -0.08 -1.14 -0.08 -0.98 0.00 0.00 0.00 173.10 170.82 2k1q s TRP 85 N -3.41 2.49 -0.26 1.90 0.51 -1.11 -1.60 118.94 117.47 2k1q s TRP 85 Ca 0.02 -0.32 -0.29 0.00 -2.12 0.00 0.00 56.10 53.40 2k1q s TRP 85 Cb 0.04 -1.17 -0.02 0.00 -0.81 0.00 0.00 33.47 31.51 2k1q s TRP 85 CO -0.08 0.63 1.56 -1.14 -0.51 0.00 0.00 176.95 177.41 2k1q s GLN 86 N -3.61 3.77 0.24 4.98 0.74 -1.19 -2.20 119.66 122.38 2k1q s GLN 86 Ca 0.31 1.52 -0.30 0.00 0.05 0.00 0.00 55.36 56.95 2k1q s GLN 86 Cb -0.04 -4.02 -0.09 0.00 1.10 0.00 0.00 33.01 29.96 2k1q s GLN 86 CO 0.18 -1.32 1.27 0.00 -0.55 0.00 0.00 175.29 174.86 2k1q s ALA 87 N 5.20 3.49 0.77 1.58 0.00 -1.21 -4.88 121.76 126.71 2k1q s ALA 87 Ca 0.69 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.64 2k1q s ALA 87 Cb -0.22 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.50 2k1q s ALA 87 CO 0.29 -0.49 1.09 -1.25 0.00 0.00 0.00 175.76 175.40 2k1q s PRO 88 N -0.69 2.28 0.67 0.00 0.04 -1.26 -4.96 135.00 131.08 2k1q s PRO 88 Ca 0.53 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 2k1q s PRO 88 Cb -0.36 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2k1q s PRO 88 CO 0.42 -1.62 1.16 -1.25 0.04 0.00 0.00 177.00 175.75 2k1q s PRO 89 N -4.91 2.59 -0.56 0.56 0.04 -1.26 -3.23 135.00 128.23 2k1q s PRO 89 Ca 0.61 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.27 2k1q s PRO 89 Cb -0.17 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2k1q s PRO 89 CO 0.56 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.55 2k1q n GLY 90 N 0.04 0.31 3.68 0.56 0.00 -1.26 -5.03 105.19 103.50 2k1q n GLY 90 Ca 0.12 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.29 3.29 0.62 4.61 0.00 -1.20 -4.89 121.76 121.90 2k1q s ALA 91 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 2k1q s ALA 91 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2k1q s ALA 91 CO 0.00 0.58 1.03 0.50 0.00 0.00 0.00 175.76 177.87 2k1q s ARG 92 N -0.87 3.60 0.28 0.00 6.06 -1.26 -4.92 118.95 121.84 2k1q s ARG 92 Ca 0.13 0.74 0.04 0.00 -2.50 0.00 0.00 55.73 54.14 2k1q s ARG 92 Cb -0.11 -2.09 -0.06 0.00 0.06 0.00 0.00 34.95 32.75 2k1q s ARG 92 CO 0.02 -0.56 0.03 -1.54 -2.50 0.00 0.00 175.30 170.75 2k1q s SER 93 N -4.16 2.09 -0.14 -2.12 1.04 -1.26 -4.56 113.70 104.59 2k1q s SER 93 Ca 0.55 -1.30 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 2k1q s SER 93 Cb -0.11 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 2k1q s SER 93 CO 0.54 -0.56 -0.05 -0.76 0.98 0.00 0.00 173.24 173.38 2k1q s LEU 94 N -3.40 3.18 0.69 2.42 1.43 -0.25 -4.93 118.68 117.83 2k1q s LEU 94 Ca 0.33 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 2k1q s LEU 94 Cb 0.07 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2k1q s LEU 94 CO 0.13 0.20 1.06 0.28 0.23 0.00 0.00 176.35 178.24 2k1q s THR 95 N 0.17 4.08 0.61 5.49 -1.32 -1.26 -4.39 115.64 119.02 2k1q s THR 95 Ca -0.02 0.68 -0.07 0.00 -1.21 0.00 0.00 61.69 61.06 2k1q s THR 95 Cb -0.14 -3.44 0.00 0.00 -1.51 0.00 0.00 72.50 67.42 2k1q s THR 95 CO 0.03 -0.88 0.94 -2.16 -2.21 0.00 0.00 174.62 170.34 2k1q s PRO 96 N -5.05 2.98 0.17 7.08 0.04 -1.26 -0.12 135.00 138.84 2k1q s PRO 96 Ca 0.58 0.14 -0.27 0.00 0.04 0.00 0.00 61.00 61.49 2k1q s PRO 96 Cb -0.14 -2.22 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 2k1q s PRO 96 CO 0.55 -0.73 0.84 0.00 0.04 0.00 0.00 177.00 177.70 2k1q n THR 98 N 1.80 1.13 -0.31 0.00 -2.24 -1.26 -4.83 114.28 108.56 2k1q n THR 98 Ca -0.04 -3.64 0.00 0.00 -2.27 0.00 0.00 64.05 58.10 2k1q n THR 98 Cb 0.48 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2k1q n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q n GLY 100 N 0.00 -0.51 3.80 0.00 0.00 -1.26 -4.95 105.19 102.27 2k1q n GLY 100 Ca 0.00 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2k1q n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1q s SER 101 N -2.48 6.56 -0.07 1.61 1.04 -1.26 -4.97 113.70 114.13 2k1q s SER 101 Ca 0.21 1.85 0.15 0.00 0.48 0.00 0.00 55.95 58.63 2k1q s SER 101 Cb -0.09 -2.55 -0.22 0.00 0.10 0.00 0.00 66.02 63.25 2k1q s SER 101 CO 0.26 -0.63 0.54 -1.20 0.98 0.00 0.00 173.24 173.19 2k1q n SER 102 N -0.83 0.65 -4.73 7.02 7.64 -1.26 -4.89 113.62 117.22 2k1q n SER 102 Ca 0.08 0.31 -0.41 0.00 1.01 0.00 0.00 58.87 59.86 2k1q n SER 102 Cb 0.53 0.25 -0.04 0.00 -1.01 0.00 0.00 64.21 63.94 2k1q n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k1q s ASP 103 N -5.88 7.37 0.08 6.43 1.01 -1.26 -1.08 116.67 123.33 2k1q s ASP 103 Ca -0.06 1.96 0.02 0.00 0.71 0.00 0.00 52.55 55.19 2k1q s ASP 103 Cb 0.08 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2k1q s ASP 103 CO 0.83 -0.15 -0.08 -0.76 0.21 0.00 0.00 175.17 175.21 2k1q s LEU 104 N -0.20 2.39 -0.22 1.23 1.43 -0.23 -4.00 118.68 119.08 2k1q s LEU 104 Ca 0.48 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2k1q s LEU 104 Cb -0.27 -0.17 0.04 0.00 0.03 0.00 0.00 46.19 45.82 2k1q s LEU 104 CO 0.33 -0.31 -0.15 -0.31 0.23 0.00 0.00 176.35 176.13 2k1q s TYR 105 N -2.49 3.04 -0.12 0.29 2.02 -0.63 -0.77 117.35 118.70 2k1q s TYR 105 Ca 0.02 -2.02 -0.07 0.00 -0.37 0.00 0.00 57.07 54.64 2k1q s TYR 105 Cb -0.02 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 2k1q s TYR 105 CO -0.02 -0.85 0.13 -1.17 -1.57 0.00 0.00 175.55 172.08 2k1q s LEU 106 N 1.19 4.34 -0.15 -1.29 2.96 -1.02 -1.57 118.68 123.14 2k1q s LEU 106 Ca -0.03 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.30 2k1q s LEU 106 Cb -0.17 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2k1q s LEU 106 CO -0.09 0.41 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.61 2k1q s VAL 107 N -1.02 3.74 0.57 1.68 1.01 -1.22 -2.69 120.40 122.47 2k1q s VAL 107 Ca 0.15 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.80 2k1q s VAL 107 Cb -0.12 -2.63 0.09 0.00 0.00 0.00 0.00 36.38 33.72 2k1q s VAL 107 CO 0.04 0.50 0.71 0.35 0.00 0.00 0.00 175.10 176.70 2k1q n THR 108 N 3.53 0.00 0.32 3.92 -2.24 -1.10 -4.43 114.28 114.28 2k1q n THR 108 Ca -0.17 -1.97 0.19 0.00 -2.27 0.00 0.00 64.05 59.83 2k1q n THR 108 Cb 0.52 -0.41 1.08 0.00 -2.10 0.00 0.00 70.33 69.42 2k1q n THR 108 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2k1q h ARG 109 N 0.00 0.00 -0.77 -0.78 3.08 -1.90 -1.19 114.38 112.81 2k1q h ARG 109 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2k1q h ARG 109 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2k1q h ARG 109 CO 0.42 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 180.04 2k1q n HIS 110 N -3.45 1.04 -3.88 3.04 8.25 -1.26 -4.89 115.22 114.08 2k1q n HIS 110 Ca -0.03 -0.36 -0.30 0.00 -0.26 0.00 0.00 57.72 56.77 2k1q n HIS 110 Cb 0.08 -0.30 0.03 0.00 1.12 0.00 0.00 29.99 30.93 2k1q n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k1q n ALA 111 N 0.33 -1.29 -2.79 -1.41 0.00 -0.45 -4.96 120.51 109.94 2k1q n ALA 111 Ca 0.14 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 2k1q n ALA 111 Cb 0.72 -4.62 -0.10 0.00 0.00 0.00 0.00 19.45 15.44 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 5.21 -0.20 0.00 1.01 -1.26 -4.90 116.67 113.22 2k1q s ASP 112 Ca 0.66 0.05 -0.04 0.00 0.71 0.00 0.00 52.55 53.93 2k1q s ASP 112 Cb -0.33 -1.68 -0.02 0.00 1.01 0.00 0.00 42.92 41.91 2k1q s ASP 112 CO 0.82 0.27 -0.02 -0.69 0.21 0.00 0.00 175.17 175.76 2k1q s VAL 113 N -0.25 3.69 0.13 -1.27 1.01 -1.26 -2.71 120.40 119.75 2k1q s VAL 113 Ca 0.06 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.75 2k1q s VAL 113 Cb -0.12 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2k1q s VAL 113 CO 0.02 0.43 -0.27 0.27 0.00 0.00 0.00 175.10 175.55 2k1q s ILE 114 N 1.11 2.26 -0.11 2.22 -4.36 -1.09 -4.91 121.20 116.32 2k1q s ILE 114 Ca 0.02 -1.76 -0.22 0.00 -0.26 0.00 0.00 60.65 58.43 2k1q s ILE 114 Cb -0.15 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 2k1q s ILE 114 CO 0.01 0.09 0.65 -2.16 0.24 0.00 0.00 174.94 173.77 2k1q s PRO 115 N -2.06 4.36 -0.08 0.37 0.04 -1.26 -2.44 135.00 133.93 2k1q s PRO 115 Ca 0.14 0.75 0.03 0.00 0.04 0.00 0.00 61.00 61.96 2k1q s PRO 115 Cb -0.10 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 30.96 2k1q s PRO 115 CO 0.06 -0.02 -0.17 0.08 0.04 0.00 0.00 177.00 176.99 2k1q s VAL 116 N 1.12 1.56 0.54 -0.36 1.01 0.05 -3.97 120.40 120.34 2k1q s VAL 116 Ca 0.33 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 2k1q s VAL 116 Cb -0.17 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.76 2k1q s VAL 116 CO 0.14 0.45 0.99 -0.13 0.00 0.00 0.00 175.10 176.55 2k1q s ARG 117 N 0.57 3.84 -0.29 2.72 1.81 -1.05 -1.06 118.95 125.49 2k1q s ARG 117 Ca -0.15 0.87 -0.11 0.00 -1.72 0.00 0.00 55.73 54.62 2k1q s ARG 117 Cb -0.17 -2.13 -0.04 0.00 -0.45 0.00 0.00 34.95 32.16 2k1q s ARG 117 CO 0.05 -0.34 0.18 0.50 -0.68 0.00 0.00 175.30 175.02 2k1q s ARG 118 N -4.36 3.76 -0.17 3.54 3.52 -0.25 -1.68 118.95 123.31 2k1q s ARG 118 Ca 0.57 -0.44 0.17 0.00 -0.13 0.00 0.00 55.73 55.90 2k1q s ARG 118 Cb -0.10 -3.64 0.48 0.00 -1.56 0.00 0.00 34.95 30.12 2k1q s ARG 118 CO 0.37 -0.26 1.36 0.54 -0.81 0.00 0.00 175.30 176.51 2k1q n ARG 119 N 5.05 2.54 -3.60 5.12 5.12 0.24 -4.93 116.66 126.20 2k1q n ARG 119 Ca -0.14 -2.79 0.00 0.00 -1.93 0.00 0.00 57.85 52.99 2k1q n ARG 119 Cb 0.51 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 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 -0.73 -1.45 0.31 -0.13 0.00 -0.93 -4.79 105.19 97.46 2k1q n GLY 120 Ca 0.20 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 1.06 0.00 1.61 3.32 -1.97 -3.32 116.42 117.12 2k1q h ASP 121 Ca 0.00 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 2k1q h ASP 121 Cb 0.00 -0.29 -0.10 0.00 0.22 0.00 0.00 39.33 39.16 2k1q h ASP 121 CO 0.00 1.10 -0.53 -1.54 -1.72 0.00 0.00 179.24 176.54 2k1q n SER 122 N -4.18 1.02 -4.17 6.45 3.41 -1.26 -4.40 113.62 110.49 2k1q n SER 122 Ca 0.03 -2.52 -0.25 0.00 -0.26 0.00 0.00 58.87 55.87 2k1q n SER 122 Cb 0.34 -0.33 -0.15 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.11 1.46 0.22 4.33 6.06 -1.25 -1.68 118.95 126.97 2k1q s ARG 123 Ca 0.22 -0.64 -0.08 0.00 -2.50 0.00 0.00 55.73 52.73 2k1q s ARG 123 Cb 0.22 -1.40 -0.02 0.00 0.06 0.00 0.00 34.95 33.81 2k1q s ARG 123 CO -0.05 0.38 0.32 0.20 -2.50 0.00 0.00 175.30 173.65 2k1q s GLY 124 N -0.41 0.86 0.21 8.12 0.00 -1.14 0.81 107.32 115.78 2k1q s GLY 124 Ca 0.07 -1.19 0.08 0.00 0.00 0.00 0.00 44.72 43.68 2k1q s GLY 124 CO -0.01 -0.94 -0.01 -1.35 0.00 0.00 0.00 173.10 170.79 2k1q s SER 125 N -3.06 4.63 -0.27 1.64 1.04 -0.68 -2.27 113.70 114.73 2k1q s SER 125 Ca 0.28 -0.51 -0.12 0.00 0.48 0.00 0.00 55.95 56.07 2k1q s SER 125 Cb 0.03 -0.92 -0.05 0.00 0.10 0.00 0.00 66.02 65.18 2k1q s SER 125 CO 0.09 0.05 0.25 -0.22 0.98 0.00 0.00 173.24 174.39 2k1q s LEU 126 N -3.23 4.03 0.24 2.42 2.96 0.27 -2.54 118.68 122.82 2k1q s LEU 126 Ca 0.29 0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 2k1q s LEU 126 Cb -0.08 -2.22 0.22 0.00 0.50 0.00 0.00 46.19 44.61 2k1q s LEU 126 CO 0.19 -0.08 1.88 -0.07 -1.32 0.00 0.00 176.35 176.95 2k1q h LEU 127 N 8.38 1.12 -8.36 -0.68 4.07 -1.85 -3.41 115.31 114.58 2k1q h LEU 127 Ca -0.34 -0.07 -0.67 0.00 0.08 0.00 0.00 57.88 56.88 2k1q h LEU 127 Cb 1.18 -0.28 -0.31 0.00 1.08 0.00 0.00 40.66 42.32 2k1q h LEU 127 CO 0.59 0.86 -0.83 -0.94 -1.08 0.00 0.00 178.44 177.04 2k1q s SER 128 N -6.17 3.44 -0.14 -0.43 1.04 -1.26 -5.08 113.70 105.10 2k1q s SER 128 Ca -0.13 -0.50 -0.29 0.00 0.48 0.00 0.00 55.95 55.51 2k1q s SER 128 Cb 0.17 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.75 2k1q s SER 128 CO 0.82 0.12 1.58 -2.16 0.98 0.00 0.00 173.24 174.58 2k1q s PRO 129 N 0.62 4.03 0.28 4.02 0.04 -1.26 -4.94 135.00 137.78 2k1q s PRO 129 Ca -0.10 1.90 0.12 0.00 0.04 0.00 0.00 61.00 62.95 2k1q s PRO 129 Cb -0.16 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 2k1q s PRO 129 CO 0.03 -1.01 -0.20 1.03 0.04 0.00 0.00 177.00 176.89 2k1q s ARG 130 N 4.22 1.68 0.55 4.56 0.52 -1.21 -4.90 118.95 124.36 2k1q s ARG 130 Ca 0.70 -1.77 -0.20 0.00 -0.52 0.00 0.00 55.73 53.94 2k1q s ARG 130 Cb -0.28 -1.76 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 2k1q s ARG 130 CO 0.27 0.33 1.20 -1.25 0.02 0.00 0.00 175.30 175.86 2k1q s PRO 131 N -3.51 3.25 0.54 3.54 0.04 -1.26 -0.73 135.00 136.86 2k1q s PRO 131 Ca 0.30 1.81 0.25 0.00 0.04 0.00 0.00 61.00 63.39 2k1q s PRO 131 Cb -0.05 -2.08 1.50 0.00 0.04 0.00 0.00 34.50 33.90 2k1q s PRO 131 CO 0.15 -0.98 2.14 -0.39 0.04 0.00 0.00 177.00 177.96 2k1q h VAL 132 N 1.23 0.71 -1.00 -0.36 -1.51 -1.75 -2.37 116.25 111.20 2k1q h VAL 132 Ca -0.50 -0.27 0.01 0.00 -1.23 0.00 0.00 66.70 64.71 2k1q h VAL 132 Cb 1.28 1.16 -0.05 0.00 -2.13 0.00 0.00 31.29 31.55 2k1q h VAL 132 CO 0.57 0.07 0.66 -1.28 -1.23 0.00 0.00 177.57 176.36 2k1q h SER 133 N 0.00 1.15 -0.08 4.19 0.87 -1.90 -0.15 113.55 117.62 2k1q h SER 133 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2k1q h SER 133 Cb 0.16 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2k1q h SER 133 CO 0.01 0.83 0.06 0.22 -0.53 0.00 0.00 176.83 177.41 2k1q h TYR 134 N 1.36 0.11 0.00 2.24 3.20 -1.80 -2.53 116.97 119.54 2k1q h TYR 134 Ca 0.37 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.15 2k1q h TYR 134 Cb -0.15 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2k1q h TYR 134 CO -0.00 0.07 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.07 2k1q h LEU 135 N 0.11 0.00 -9.95 2.82 4.07 -1.57 -3.44 115.31 107.35 2k1q h LEU 135 Ca 0.03 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.45 2k1q h LEU 135 Cb -0.01 0.00 0.11 0.00 1.08 0.00 0.00 40.66 41.84 2k1q h LEU 135 CO -0.01 0.44 0.79 -0.54 -1.08 0.00 0.00 178.44 178.05 2k1q s LYS 136 N -3.87 4.09 0.00 1.13 -0.14 -0.10 -1.83 119.74 119.02 2k1q s LYS 136 Ca -0.02 2.60 0.00 0.00 -1.36 0.00 0.00 55.97 57.19 2k1q s LYS 136 Cb 0.13 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.32 2k1q s LYS 136 CO 0.72 -0.56 0.00 0.41 -0.76 0.00 0.00 175.35 175.16 2k1q n GLY 137 N 0.43 0.50 0.72 -3.33 0.00 -1.26 -4.89 105.19 97.36 2k1q n GLY 137 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 2k1q n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1q n SER 138 N -0.00 3.42 -4.78 1.61 7.64 -0.76 -4.39 113.62 116.36 2k1q n SER 138 Ca 0.00 -2.70 -0.41 0.00 1.01 0.00 0.00 58.87 56.77 2k1q n SER 138 Cb 0.00 -0.43 -0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2k1q n SER 138 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k1q s SER 139 N -1.71 6.32 0.00 6.43 0.01 -1.26 -2.13 113.70 121.35 2k1q s SER 139 Ca 0.34 3.07 0.00 0.00 1.31 0.00 0.00 55.95 60.67 2k1q s SER 139 Cb 0.26 -2.67 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2k1q s SER 139 CO 0.10 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.46 2k1q n GLY 140 N 0.44 2.84 3.66 3.44 0.00 -1.20 -0.81 105.19 113.56 2k1q n GLY 140 Ca 0.01 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.52 2k1q n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1q n GLY 141 N -2.00 0.96 3.80 -0.02 0.00 -0.91 -4.00 105.19 103.02 2k1q n GLY 141 Ca 0.00 0.79 -0.35 0.00 0.00 0.00 0.00 46.02 46.46 2k1q n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1q s PRO 142 N 2.28 4.42 -0.40 1.61 0.04 -1.26 -1.32 135.00 140.37 2k1q s PRO 142 Ca 0.89 1.20 -0.09 0.00 0.04 0.00 0.00 61.00 63.03 2k1q s PRO 142 Cb -0.86 -2.60 0.06 0.00 0.04 0.00 0.00 34.50 31.14 2k1q s PRO 142 CO 0.51 0.19 0.22 -0.51 0.04 0.00 0.00 177.00 177.46 2k1q s LEU 143 N -2.43 4.93 -0.14 -3.56 1.02 -0.54 -3.43 118.68 114.53 2k1q s LEU 143 Ca 0.53 -1.34 -0.14 0.00 0.02 0.00 0.00 54.13 53.20 2k1q s LEU 143 Cb -0.15 -1.97 -0.05 0.00 0.02 0.00 0.00 46.19 44.04 2k1q s LEU 143 CO 0.20 -0.47 0.31 -0.76 0.02 0.00 0.00 176.35 175.65 2k1q s LEU 144 N 1.45 4.27 0.76 1.79 1.02 -0.61 0.38 118.68 127.74 2k1q s LEU 144 Ca 0.02 0.56 -0.11 0.00 0.02 0.00 0.00 54.13 54.62 2k1q s LEU 144 Cb -0.22 -2.40 0.05 0.00 0.02 0.00 0.00 46.19 43.64 2k1q s LEU 144 CO 0.03 0.12 1.09 0.00 0.02 0.00 0.00 176.35 177.61 2k1q h PRO 146 N -0.99 0.00 -0.33 0.00 0.13 -1.92 0.05 132.00 128.95 2k1q h PRO 146 Ca -0.44 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 2k1q h PRO 146 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2k1q h PRO 146 CO 0.52 0.00 -0.40 0.66 -0.23 0.00 0.00 178.00 178.54 2k1q h SER 147 N 0.00 0.85 0.00 1.44 4.64 -1.94 -3.47 113.55 115.07 2k1q h SER 147 Ca 0.07 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2k1q h SER 147 Cb 0.94 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2k1q h SER 147 CO -0.00 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 2k1q n GLY 148 N 0.09 1.24 3.11 -0.77 0.00 0.01 -5.15 105.19 103.72 2k1q n GLY 148 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.94 0.93 0.35 1.61 3.76 -1.25 -4.93 115.29 113.82 2k1q s HIS 149 Ca 0.00 -0.47 -0.28 0.00 -0.15 0.00 0.00 55.06 54.16 2k1q s HIS 149 Cb 0.00 -0.54 -0.11 0.00 1.11 0.00 0.00 32.58 33.04 2k1q s HIS 149 CO 0.00 -0.01 1.40 0.00 -0.85 0.00 0.00 174.74 175.27 2k1q s ALA 150 N -1.28 3.54 -0.05 -1.40 0.00 0.83 -1.43 121.76 121.96 2k1q s ALA 150 Ca -0.06 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.34 2k1q s ALA 150 Cb -0.10 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2k1q s ALA 150 CO 0.01 -0.85 -0.02 0.28 0.00 0.00 0.00 175.76 175.18 2k1q n VAL 151 N 0.63 0.29 -3.83 0.00 0.31 0.16 0.86 118.33 116.75 2k1q n VAL 151 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2k1q n VAL 151 Cb 0.40 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 2k1q n VAL 151 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k1q n GLY 152 N 3.03 0.65 3.09 2.92 0.00 -1.23 -1.61 105.19 112.06 2k1q n GLY 152 Ca -0.08 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.16 1.02 0.37 -0.61 1.01 -0.54 -1.47 121.20 118.81 2k1q s ILE 153 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 2k1q s ILE 153 Cb 0.00 -0.85 -0.11 0.00 0.01 0.00 0.00 42.46 41.51 2k1q s ILE 153 CO 0.00 0.29 1.52 0.33 0.00 0.00 0.00 174.94 177.08 2k1q n PHE 154 N 2.77 3.02 0.01 3.97 7.35 -0.44 -0.87 117.46 133.27 2k1q n PHE 154 Ca -0.14 0.40 -0.00 0.00 -0.76 0.00 0.00 57.45 56.95 2k1q n PHE 154 Cb 0.55 -2.55 -0.00 0.00 0.35 0.00 0.00 39.48 37.83 2k1q n PHE 154 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2k1q n ARG 155 N 0.74 0.00 -3.89 -4.13 0.63 -0.32 -3.22 116.66 106.48 2k1q n ARG 155 Ca 0.02 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.86 2k1q n ARG 155 Cb 0.39 -0.50 -0.05 0.00 0.45 0.00 0.00 32.46 32.74 2k1q n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k1q s ALA 156 N -2.00 -0.48 0.11 5.13 0.00 -1.13 -4.96 121.76 118.42 2k1q s ALA 156 Ca -0.00 -0.61 0.10 0.00 0.00 0.00 0.00 51.96 51.45 2k1q s ALA 156 Cb 0.00 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 2k1q s ALA 156 CO 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 175.76 174.72 2k1q s ALA 157 N -3.95 2.41 -0.23 0.00 0.00 -1.26 -1.82 121.76 116.91 2k1q s ALA 157 Ca 0.16 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.67 2k1q s ALA 157 Cb -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2k1q s ALA 157 CO 0.02 0.55 -0.00 0.08 0.00 0.00 0.00 175.76 176.41 2k1q s VAL 158 N -1.01 3.69 0.05 0.00 1.01 0.19 -4.98 120.40 119.35 2k1q s VAL 158 Ca 0.14 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2k1q s VAL 158 Cb -0.10 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2k1q s VAL 158 CO 0.06 0.39 -0.11 0.00 0.00 0.00 0.00 175.10 175.45 2k1q h THR 160 N 4.41 1.66 0.00 0.00 1.35 -1.85 -3.44 112.91 115.05 2k1q h THR 160 Ca -0.38 -2.44 -0.22 0.00 -0.55 0.00 0.00 66.41 62.82 2k1q h THR 160 Cb 1.20 3.30 -0.15 0.00 -1.73 0.00 0.00 68.15 70.77 2k1q h THR 160 CO 0.40 0.66 -0.37 -2.11 -0.25 0.00 0.00 175.52 173.86 2k1q n ARG 161 N -4.38 0.98 0.00 4.72 1.85 -1.26 -4.93 116.66 113.64 2k1q n ARG 161 Ca -0.12 -1.79 0.00 0.00 -1.00 0.00 0.00 57.85 54.94 2k1q n ARG 161 Cb 0.64 -0.71 0.00 0.00 -1.05 0.00 0.00 32.46 31.34 2k1q n ARG 161 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k1q n GLY 162 N 0.12 0.94 3.23 2.89 0.00 -1.26 -5.07 105.19 106.04 2k1q n GLY 162 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.11 2.35 -0.23 1.61 1.01 -1.26 -1.99 120.40 119.78 2k1q s VAL 163 Ca 0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 2k1q s VAL 163 Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2k1q s VAL 163 CO 0.00 0.54 0.31 0.00 0.00 0.00 0.00 175.10 175.95 2k1q s ALA 164 N 0.69 3.57 -0.13 5.51 0.00 0.09 -2.16 121.76 129.33 2k1q s ALA 164 Ca -0.09 -0.74 0.16 0.00 0.00 0.00 0.00 51.96 51.28 2k1q s ALA 164 Cb -0.16 -2.55 -0.23 0.00 0.00 0.00 0.00 23.12 20.18 2k1q s ALA 164 CO 0.01 -0.38 0.39 1.63 0.00 0.00 0.00 175.76 177.42 2k1q n LYS 165 N 4.67 0.71 -3.80 0.00 5.02 -0.93 -3.30 118.16 120.53 2k1q n LYS 165 Ca -0.11 -0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 55.97 2k1q n LYS 165 Cb 0.51 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.98 -0.43 0.13 7.82 0.00 -1.22 0.94 121.76 126.02 2k1q s ALA 166 Ca -0.04 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.54 2k1q s ALA 166 Cb 0.10 0.48 -0.00 0.00 0.00 0.00 0.00 23.12 23.70 2k1q s ALA 166 CO 0.64 -0.51 0.04 1.33 0.00 0.00 0.00 175.76 177.27 2k1q n VAL 167 N 0.07 0.00 -3.71 0.00 0.24 -0.96 -0.64 118.33 113.33 2k1q n VAL 167 Ca -0.16 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.34 61.26 2k1q n VAL 167 Cb 0.62 0.26 -0.13 0.00 -1.47 0.00 0.00 33.84 33.12 2k1q n VAL 167 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k1q s ASP 168 N -1.80 -0.07 0.15 -1.34 -1.08 -0.75 -2.89 116.67 108.89 2k1q s ASP 168 Ca 0.06 0.53 0.07 0.00 -0.52 0.00 0.00 52.55 52.69 2k1q s ASP 168 Cb 0.00 0.47 -0.04 0.00 -1.46 0.00 0.00 42.92 41.89 2k1q s ASP 168 CO 0.04 -0.19 -0.15 0.72 0.52 0.00 0.00 175.17 176.11 2k1q s PHE 169 N 1.58 1.60 -0.24 -5.34 -0.12 -0.68 -1.17 117.98 113.61 2k1q s PHE 169 Ca -0.06 -0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 56.10 2k1q s PHE 169 Cb -0.11 -0.80 -0.03 0.00 -0.63 0.00 0.00 43.02 41.45 2k1q s PHE 169 CO -0.08 0.25 0.49 0.08 -0.05 0.00 0.00 175.22 175.90 2k1q s VAL 170 N -2.34 5.10 0.73 -2.49 1.01 -0.05 -4.34 120.40 118.02 2k1q s VAL 170 Ca 0.14 0.84 -0.14 0.00 0.00 0.00 0.00 61.98 62.82 2k1q s VAL 170 Cb -0.04 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.57 2k1q s VAL 170 CO 0.05 0.13 1.18 -2.16 0.00 0.00 0.00 175.10 174.30 2k1q s PRO 171 N 2.04 2.21 0.61 2.72 0.04 -1.26 -1.46 135.00 139.89 2k1q s PRO 171 Ca 0.21 1.64 0.33 0.00 0.04 0.00 0.00 61.00 63.22 2k1q s PRO 171 Cb -0.15 -1.85 1.91 0.00 0.04 0.00 0.00 34.50 34.44 2k1q s PRO 171 CO 0.09 -1.76 2.23 0.28 0.04 0.00 0.00 177.00 177.89 2k1q h VAL 172 N -0.36 0.39 -1.00 -0.36 2.07 -1.66 -2.15 116.25 113.17 2k1q h VAL 172 Ca -0.47 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2k1q h VAL 172 Cb 1.28 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 2k1q h VAL 172 CO 0.50 0.00 0.66 -0.08 0.02 0.00 0.00 177.57 178.67 2k1q h GLU 173 N 0.00 1.31 -0.67 1.57 4.81 -1.89 -2.11 114.58 117.60 2k1q h GLU 173 Ca 0.02 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2k1q h GLU 173 Cb 0.14 -0.30 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2k1q h GLU 173 CO -0.00 0.87 0.23 1.03 -0.73 0.00 0.00 179.01 180.40 2k1q h SER 174 N 1.35 0.93 -0.85 1.04 0.87 -1.74 -2.27 113.55 112.88 2k1q h SER 174 Ca 0.37 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2k1q h SER 174 Cb -0.14 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.53 2k1q h SER 174 CO -0.08 0.86 0.56 0.24 -0.53 0.00 0.00 176.83 177.88 2k1q h MET 175 N 0.98 1.12 -0.43 2.24 2.86 -1.47 -1.80 114.93 118.43 2k1q h MET 175 Ca 0.22 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.64 2k1q h MET 175 Cb 0.25 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2k1q h MET 175 CO -0.01 0.74 -0.31 0.93 1.06 0.00 0.00 176.91 179.32 2k1q h GLU 176 N 1.15 0.97 -0.94 1.72 5.08 -1.24 -3.07 114.58 118.24 2k1q h GLU 176 Ca 0.31 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2k1q h GLU 176 Cb -0.13 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2k1q h GLU 176 CO -0.07 1.13 0.55 1.15 -1.00 0.00 0.00 179.01 180.78 2k1q h THR 177 N 0.80 1.26 -0.97 1.13 2.02 -0.99 -2.08 112.91 114.08 2k1q h THR 177 Ca 0.08 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.68 2k1q h THR 177 Cb 0.90 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 2k1q h THR 177 CO 0.08 0.28 0.63 0.74 0.37 0.00 0.00 175.52 177.62 2k1q h THR 178 N 1.30 1.25 -0.49 3.16 2.02 -1.25 -1.03 112.91 117.87 2k1q h THR 178 Ca 0.34 -0.47 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 2k1q h THR 178 Cb -0.04 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.20 2k1q h THR 178 CO -0.06 0.25 -0.22 0.24 0.37 0.00 0.00 175.52 176.09 2k1q h MET 179 N 1.31 1.01 -0.68 6.66 2.07 -1.37 -2.91 114.93 121.02 2k1q h MET 179 Ca 0.35 -0.43 -0.08 0.00 -2.07 0.00 0.00 59.70 57.47 2k1q h MET 179 Cb -0.14 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.53 2k1q h MET 179 CO -0.07 1.11 0.12 0.00 1.07 0.00 0.00 176.91 179.13 2k1q h ARG 180 N 0.87 1.12 -0.91 1.72 2.47 -0.90 -2.88 114.38 115.86 2k1q h ARG 180 Ca 0.11 -0.30 0.01 0.00 -1.26 0.00 0.00 59.98 58.54 2k1q h ARG 180 Cb 0.81 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.95 2k1q h ARG 180 CO 0.07 1.02 0.59 0.00 0.56 0.00 0.00 179.97 182.21 2k1q h ALA 181 N 1.05 1.16 -0.88 0.04 0.00 -1.11 -3.47 119.26 116.06 2k1q h ALA 181 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k1q h ALA 181 Cb 0.44 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k1q h ALA 181 CO 0.01 0.57 0.00 0.45 0.00 0.00 0.00 179.25 180.29 2k1q n SER 182 N -4.43 -2.65 0.25 0.00 2.88 -1.09 -0.85 113.62 107.73 2k1q n SER 182 Ca 0.10 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.73 2k1q n SER 182 Cb 0.02 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.12 2k1q n SER 182 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2k1q h LYS 183 N 0.00 0.00 -1.01 -1.46 2.10 -1.92 -2.60 116.57 111.69 2k1q h LYS 183 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 2k1q h LYS 183 Cb 0.00 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.28 2k1q h LYS 183 CO 0.00 0.13 0.67 0.87 -2.00 0.00 0.00 179.45 179.12 2k1q h LYS 184 N 0.00 1.32 -6.61 0.07 1.79 -1.92 -3.41 116.57 107.81 2k1q h LYS 184 Ca -0.00 -0.08 -0.70 0.00 -2.18 0.00 0.00 60.65 57.69 2k1q h LYS 184 Cb 0.27 -0.30 -0.30 0.00 -1.58 0.00 0.00 32.23 30.33 2k1q h LYS 184 CO 0.02 0.88 -0.89 0.15 -1.08 0.00 0.00 179.45 178.52 2k1q s LYS 185 N -6.12 2.11 0.00 3.15 1.02 -0.03 -5.14 119.74 114.74 2k1q s LYS 185 Ca -0.13 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 54.93 2k1q s LYS 185 Cb 0.18 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 2k1q s LYS 185 CO 0.82 0.56 0.00 0.36 -0.92 0.00 0.00 175.35 176.17