#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kc0 n GLY 15 N 0.00 -0.47 0.25 0.00 0.00 -1.26 -3.92 105.19 99.79 2kc0 n GLY 15 Ca 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2kc0 n GLY 15 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kc0 h LEU 16 N 0.00 0.00 -0.58 0.99 -0.00 -1.98 -3.01 115.31 110.74 2kc0 h LEU 16 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.98 2kc0 h LEU 16 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.59 2kc0 h LEU 16 CO 0.00 0.16 0.15 0.00 -0.00 0.00 0.00 178.44 178.75 2kc0 h ALA 17 N 1.84 0.70 -0.73 0.17 0.00 -1.83 -2.74 119.26 116.67 2kc0 h ALA 17 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kc0 h ALA 17 Cb 0.46 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2kc0 h ALA 17 CO 0.02 -0.27 0.47 0.22 0.00 0.00 0.00 179.25 179.69 2kc0 h ASP 18 N 0.30 0.85 0.92 0.00 3.58 -1.85 -1.29 116.42 118.93 2kc0 h ASP 18 Ca 0.30 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2kc0 h ASP 18 Cb 0.41 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2kc0 h ASP 18 CO -0.35 0.63 0.00 0.00 -2.88 0.00 0.00 179.24 176.64 2kc0 h ALA 19 N 1.52 1.00 0.00 -0.78 0.00 -1.63 -2.89 119.26 116.48 2kc0 h ALA 19 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2kc0 h ALA 19 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kc0 h ALA 19 CO -0.06 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.47 2kc0 n LEU 20 N -2.60 0.51 0.00 0.00 7.99 -0.48 -3.37 117.00 119.05 2kc0 n LEU 20 Ca 0.02 0.63 0.00 0.00 -0.01 0.00 0.00 56.01 56.65 2kc0 n LEU 20 Cb 0.28 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 43.03 2kc0 n LEU 20 CO 0.24 -0.50 0.22 0.35 -1.51 0.00 0.00 177.39 176.19 2kc0 n THR 21 N -2.07 0.00 -4.06 -5.08 -2.24 -1.09 -4.88 114.28 94.86 2kc0 n THR 21 Ca 0.02 0.92 -0.08 0.00 -2.27 0.00 0.00 64.05 62.64 2kc0 n THR 21 Cb 0.21 -1.88 -0.10 0.00 -2.10 0.00 0.00 70.33 66.46 2kc0 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kc0 s ALA 22 N -3.01 0.41 0.91 6.98 0.00 -1.22 -5.08 121.76 120.76 2kc0 s ALA 22 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 2kc0 s ALA 22 Cb 0.00 0.21 0.14 0.00 0.00 0.00 0.00 23.12 23.47 2kc0 s ALA 22 CO 0.00 -0.28 1.11 -1.25 0.00 0.00 0.00 175.76 175.34 2kc0 s PRO 23 N -3.00 1.11 0.15 0.00 0.04 -1.26 -4.49 135.00 127.55 2kc0 s PRO 23 Ca -0.01 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 2kc0 s PRO 23 Cb 0.01 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.74 2kc0 s PRO 23 CO -0.06 -2.26 1.56 -0.07 0.04 0.00 0.00 177.00 176.21 2kc0 h LEU 24 N -1.55 0.94 -7.68 -3.56 3.38 -1.92 -3.45 115.31 101.47 2kc0 h LEU 24 Ca -0.51 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 56.96 2kc0 h LEU 24 Cb 1.31 -0.26 -0.20 0.00 0.09 0.00 0.00 40.66 41.61 2kc0 h LEU 24 CO 0.59 1.09 -0.42 -1.81 0.09 0.00 0.00 178.44 177.98 2kc0 s ASP 25 N -6.56 -0.03 0.83 -0.43 1.11 -1.26 -5.14 116.67 105.19 2kc0 s ASP 25 Ca -0.12 -0.15 -0.11 0.00 0.18 0.00 0.00 52.55 52.35 2kc0 s ASP 25 Cb 0.12 0.25 0.09 0.00 1.07 0.00 0.00 42.92 44.44 2kc0 s ASP 25 CO 0.85 -0.42 1.10 -1.00 1.18 0.00 0.00 175.17 176.88 2kc0 s HIS 26 N -1.54 2.32 -0.00 4.23 3.76 -1.26 -4.74 115.29 118.05 2kc0 s HIS 26 Ca -0.13 1.55 -0.00 0.00 -0.15 0.00 0.00 55.06 56.33 2kc0 s HIS 26 Cb -0.06 -3.12 -0.00 0.00 1.11 0.00 0.00 32.58 30.50 2kc0 s HIS 26 CO 0.02 -2.14 0.00 1.63 -0.85 0.00 0.00 174.74 173.40 2kc0 n LYS 27 N -3.75 0.00 -2.10 1.40 4.76 -1.26 -4.95 118.16 112.25 2kc0 n LYS 27 Ca 0.09 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.25 2kc0 n LYS 27 Cb 0.53 -0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.78 2kc0 n LYS 27 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2kc0 s ASP 28 N 0.00 5.06 0.00 4.39 2.15 -1.26 -4.97 116.67 122.05 2kc0 s ASP 28 Ca 0.00 0.74 0.01 0.00 0.43 0.00 0.00 52.55 53.74 2kc0 s ASP 28 Cb -0.00 -1.47 0.06 0.00 -0.30 0.00 0.00 42.92 41.21 2kc0 s ASP 28 CO 0.00 -1.49 0.52 2.29 -0.17 0.00 0.00 175.17 176.32 2kc0 n LYS 29 N -2.95 0.46 -3.83 4.34 0.00 -1.26 -4.73 118.16 110.18 2kc0 n LYS 29 Ca 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.34 2kc0 n LYS 29 Cb 0.59 -1.04 0.01 0.00 -0.00 0.00 0.00 35.03 34.59 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2kc0 s GLY 30 N -1.57 0.02 -0.13 2.58 0.00 -1.26 -5.15 107.32 101.81 2kc0 s GLY 30 Ca 0.02 -0.21 -0.22 0.00 0.00 0.00 0.00 44.72 44.30 2kc0 s GLY 30 CO 0.01 1.44 0.69 -0.10 0.00 0.00 0.00 173.10 175.15 2kc0 n LEU 31 N -0.61 0.31 -0.04 0.66 0.00 -1.26 -4.95 117.00 111.10 2kc0 n LEU 31 Ca -0.04 0.61 0.01 0.00 0.00 0.00 0.00 56.01 56.58 2kc0 n LEU 31 Cb 0.60 -0.47 0.00 0.00 0.00 0.00 0.00 43.42 43.56 2kc0 n LEU 31 CO 0.19 -0.71 0.17 0.00 0.00 0.00 0.00 177.39 177.04 2kc0 n GLN 32 N 1.42 1.88 -3.76 1.96 1.13 -1.26 -4.61 117.38 114.15 2kc0 n GLN 32 Ca 0.13 -0.38 -0.10 0.00 -1.94 0.00 0.00 57.00 54.72 2kc0 n GLN 32 Cb 0.01 -0.86 -0.04 0.00 0.11 0.00 0.00 30.24 29.45 2kc0 n GLN 32 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2kc0 s SER 33 N -0.50 -0.23 -0.28 1.08 1.04 -1.25 -1.37 113.70 112.19 2kc0 s SER 33 Ca 0.01 -0.52 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 2kc0 s SER 33 Cb 0.01 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 2kc0 s SER 33 CO 0.03 -1.03 0.33 -0.22 0.98 0.00 0.00 173.24 173.33 2kc0 s LEU 34 N -2.88 4.10 0.08 2.42 1.98 -0.20 -4.87 118.68 119.31 2kc0 s LEU 34 Ca 0.10 0.13 -0.28 0.00 -2.89 0.00 0.00 54.13 51.19 2kc0 s LEU 34 Cb -0.00 -2.34 -0.05 0.00 0.66 0.00 0.00 46.19 44.45 2kc0 s LEU 34 CO -0.03 -0.18 0.89 -0.89 -1.89 0.00 0.00 176.35 174.26 2kc0 s THR 35 N 1.99 4.61 -1.10 3.68 2.01 -1.26 -0.86 115.64 124.71 2kc0 s THR 35 Ca 0.12 1.91 -0.08 0.00 0.31 0.00 0.00 61.69 63.96 2kc0 s THR 35 Cb -0.16 -4.25 0.28 0.00 0.01 0.00 0.00 72.50 68.38 2kc0 s THR 35 CO 0.10 0.32 1.16 0.18 -0.69 0.00 0.00 174.62 175.70 2kc0 n LEU 36 N 2.86 5.59 -0.07 4.42 4.32 -0.10 -4.77 117.00 129.25 2kc0 n LEU 36 Ca 0.01 -5.08 -0.12 0.00 -0.02 0.00 0.00 56.01 50.80 2kc0 n LEU 36 Cb 0.50 -1.42 -0.09 0.00 -1.62 0.00 0.00 43.42 40.79 2kc0 n LEU 36 CO 0.50 1.42 0.07 -0.78 -1.22 0.00 0.00 177.39 177.38 2kc0 h ASP 37 N 6.39 0.00 -3.96 -1.43 1.82 -1.95 -3.21 116.42 114.08 2kc0 h ASP 37 Ca 0.18 -0.62 -0.71 0.00 -0.39 0.00 0.00 57.03 55.49 2kc0 h ASP 37 Cb 0.82 0.00 -0.34 0.00 0.68 0.00 0.00 39.33 40.49 2kc0 h ASP 37 CO 1.06 0.98 -0.25 -1.10 -1.61 0.00 0.00 179.24 178.32 2kc0 s GLN 38 N -2.11 2.85 0.00 0.28 -1.52 -1.26 -4.55 119.66 113.34 2kc0 s GLN 38 Ca -0.17 -2.70 0.00 0.00 -1.95 0.00 0.00 55.36 50.54 2kc0 s GLN 38 Cb -0.00 -3.86 0.00 0.00 -0.22 0.00 0.00 33.01 28.93 2kc0 s GLN 38 CO 0.49 -1.21 0.00 -1.13 -0.25 0.00 0.00 175.29 173.19 2kc0 n SER 39 N 3.26 0.00 -4.30 5.90 3.41 -1.26 -4.57 113.62 116.06 2kc0 n SER 39 Ca 0.12 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.44 2kc0 n SER 39 Cb 0.39 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 2kc0 n SER 39 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kc0 s VAL 40 N -1.48 0.73 0.40 -3.33 0.11 -1.26 -5.09 120.40 110.48 2kc0 s VAL 40 Ca 0.00 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.13 2kc0 s VAL 40 Cb 0.00 -2.25 -0.07 0.00 -1.53 0.00 0.00 36.38 32.53 2kc0 s VAL 40 CO 0.00 0.00 0.07 -0.13 -3.33 0.00 0.00 175.10 171.71 2kc0 s ARG 41 N -3.75 2.07 0.19 1.54 1.81 -1.26 -4.93 118.95 114.62 2kc0 s ARG 41 Ca 0.17 -1.95 0.13 0.00 -1.72 0.00 0.00 55.73 52.36 2kc0 s ARG 41 Cb 0.02 -1.81 0.68 0.00 -0.45 0.00 0.00 34.95 33.39 2kc0 s ARG 41 CO 0.11 -0.04 1.39 1.63 -0.68 0.00 0.00 175.30 177.70 2kc0 n LYS 42 N -1.06 0.08 -0.07 3.54 5.02 -1.26 -1.77 118.16 122.64 2kc0 n LYS 42 Ca -0.03 0.58 -0.08 0.00 -2.02 0.00 0.00 58.31 56.75 2kc0 n LYS 42 Cb 0.65 -1.77 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 2kc0 n LYS 42 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2kc0 n ASN 43 N -1.94 1.79 -4.97 4.39 0.23 -1.26 -4.70 115.26 108.80 2kc0 n ASN 43 Ca -0.01 -0.02 -0.21 0.00 -0.53 0.00 0.00 54.58 53.80 2kc0 n ASN 43 Cb 0.02 0.57 -0.02 0.00 -2.08 0.00 0.00 39.78 38.27 2kc0 n ASN 43 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2kc0 s GLU 44 N -2.35 3.43 0.16 -3.83 2.12 -1.05 -4.89 118.70 112.29 2kc0 s GLU 44 Ca -0.11 -0.70 0.09 0.00 0.36 0.00 0.00 54.97 54.60 2kc0 s GLU 44 Cb 0.05 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 2kc0 s GLU 44 CO 0.54 0.37 -0.12 0.21 -0.54 0.00 0.00 175.26 175.72 2kc0 s LYS 45 N -4.04 2.00 0.19 4.30 2.20 -0.66 -3.64 119.74 120.09 2kc0 s LYS 45 Ca 0.35 -1.22 -0.08 0.00 -0.36 0.00 0.00 55.97 54.66 2kc0 s LYS 45 Cb -0.09 -2.16 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 2kc0 s LYS 45 CO 0.30 0.45 0.29 -0.48 -0.36 0.00 0.00 175.35 175.55 2kc0 s LEU 46 N -2.60 0.89 -0.03 5.43 0.05 -0.04 -1.50 118.68 120.88 2kc0 s LEU 46 Ca 0.23 -1.00 0.01 0.00 0.05 0.00 0.00 54.13 53.41 2kc0 s LEU 46 Cb -0.09 1.12 0.02 0.00 -2.05 0.00 0.00 46.19 45.19 2kc0 s LEU 46 CO 0.14 -0.93 -0.02 -0.75 -0.55 0.00 0.00 176.35 174.24 2kc0 s LYS 47 N -4.02 0.44 0.17 1.48 2.20 0.38 -0.99 119.74 119.40 2kc0 s LYS 47 Ca 0.23 -0.01 -0.07 0.00 -0.36 0.00 0.00 55.97 55.76 2kc0 s LYS 47 Cb 0.03 -0.54 -0.06 0.00 -1.51 0.00 0.00 37.83 35.75 2kc0 s LYS 47 CO 0.05 -0.08 0.44 -0.51 -0.36 0.00 0.00 175.35 174.88 2kc0 s LEU 48 N 0.80 4.24 -0.20 5.43 2.01 0.41 -1.05 118.68 130.32 2kc0 s LEU 48 Ca -0.09 0.72 -0.14 0.00 0.01 0.00 0.00 54.13 54.63 2kc0 s LEU 48 Cb -0.12 -3.41 0.06 0.00 0.01 0.00 0.00 46.19 42.73 2kc0 s LEU 48 CO -0.01 0.02 0.51 0.00 1.01 0.00 0.00 176.35 177.88 2kc0 s ALA 49 N -1.69 -1.32 -0.28 4.21 0.00 -0.38 -1.05 121.76 121.26 2kc0 s ALA 49 Ca 0.43 1.71 -0.22 0.00 0.00 0.00 0.00 51.96 53.87 2kc0 s ALA 49 Cb -0.12 -1.01 0.11 0.00 0.00 0.00 0.00 23.12 22.10 2kc0 s ALA 49 CO 0.23 -0.28 0.94 0.00 0.00 0.00 0.00 175.76 176.64 2kc0 s ALA 50 N 1.06 -1.99 -1.59 0.00 0.00 -0.33 -1.88 121.76 117.03 2kc0 s ALA 50 Ca -0.06 2.02 -0.14 0.00 0.00 0.00 0.00 51.96 53.77 2kc0 s ALA 50 Cb -0.06 -1.45 0.11 0.00 0.00 0.00 0.00 23.12 21.72 2kc0 s ALA 50 CO -0.10 -0.29 0.83 0.94 0.00 0.00 0.00 175.76 177.14 2kc0 n GLN 51 N 2.77 -4.19 -0.51 0.00 -0.06 -1.26 -1.66 117.38 112.48 2kc0 n GLN 51 Ca -0.15 0.47 0.00 0.00 -2.00 0.00 0.00 57.00 55.33 2kc0 n GLN 51 Cb 0.56 -5.20 0.00 0.00 -4.06 0.00 0.00 30.24 21.55 2kc0 n GLN 51 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kc0 n GLY 52 N -1.58 0.76 3.58 1.69 0.00 -1.26 -4.70 105.19 103.68 2kc0 n GLY 52 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2kc0 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kc0 s ALA 53 N -2.99 3.01 0.06 4.61 0.00 -0.66 -5.07 121.76 120.73 2kc0 s ALA 53 Ca 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 51.96 50.24 2kc0 s ALA 53 Cb 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2kc0 s ALA 53 CO 0.00 0.31 0.06 -1.83 0.00 0.00 0.00 175.76 174.30 2kc0 s GLU 54 N -3.46 0.69 -0.04 0.00 -1.05 -1.26 -1.18 118.70 112.40 2kc0 s GLU 54 Ca 0.30 -1.09 -0.01 0.00 -0.15 0.00 0.00 54.97 54.01 2kc0 s GLU 54 Cb -0.07 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 33.91 2kc0 s GLU 54 CO 0.18 -0.17 0.03 0.15 0.95 0.00 0.00 175.26 176.40 2kc0 s LYS 55 N -3.81 0.14 0.01 -4.83 -0.14 -0.21 -4.90 119.74 106.01 2kc0 s LYS 55 Ca 0.05 0.24 -0.19 0.00 -1.36 0.00 0.00 55.97 54.71 2kc0 s LYS 55 Cb 0.06 -0.56 -0.06 0.00 -1.68 0.00 0.00 37.83 35.59 2kc0 s LYS 55 CO -0.10 -0.26 0.56 0.95 -0.76 0.00 0.00 175.35 175.73 2kc0 s THR 56 N 1.74 4.88 0.16 2.17 -4.23 -1.26 -0.44 115.64 118.66 2kc0 s THR 56 Ca -0.00 1.17 0.04 0.00 -1.18 0.00 0.00 61.69 61.72 2kc0 s THR 56 Cb -0.13 -3.89 -0.05 0.00 1.34 0.00 0.00 72.50 69.78 2kc0 s THR 56 CO -0.03 0.48 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.14 2kc0 s TYR 57 N -0.54 1.28 0.03 3.99 2.02 -0.16 -4.99 117.35 118.97 2kc0 s TYR 57 Ca 0.29 -0.83 -0.28 0.00 -0.37 0.00 0.00 57.07 55.88 2kc0 s TYR 57 Cb -0.18 -0.68 0.09 0.00 -0.40 0.00 0.00 41.96 40.79 2kc0 s TYR 57 CO 0.17 0.01 0.99 0.20 -1.57 0.00 0.00 175.55 175.35 2kc0 s GLY 58 N -3.18 -0.36 0.00 0.71 0.00 -1.26 -0.86 107.32 102.36 2kc0 s GLY 58 Ca 0.19 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.63 2kc0 s GLY 58 CO 0.02 0.21 0.00 -2.01 0.00 0.00 0.00 173.10 171.32 2kc0 n ASN 59 N -0.33 0.00 0.00 1.64 2.85 -0.73 -4.51 115.26 114.18 2kc0 n ASN 59 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2kc0 n ASN 59 Cb 0.61 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.63 2kc0 n ASN 59 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kc0 n GLY 60 N 0.00 1.87 0.00 8.20 0.00 -1.26 -4.04 105.19 109.95 2kc0 n GLY 60 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2kc0 n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kc0 n ASP 61 N 0.00 0.00 -3.47 1.61 -0.08 -1.21 -5.00 116.55 108.40 2kc0 n ASP 61 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 2kc0 n ASP 61 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 2kc0 n ASP 61 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kc0 s SER 62 N 1.38 -0.52 -0.13 1.67 1.04 -1.26 -0.93 113.70 114.95 2kc0 s SER 62 Ca 0.00 -0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.40 2kc0 s SER 62 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2kc0 s SER 62 CO 0.00 -0.95 -0.20 -0.22 0.98 0.00 0.00 173.24 172.84 2kc0 s LEU 63 N -2.73 2.24 -0.39 2.42 0.20 -0.03 -4.94 118.68 115.44 2kc0 s LEU 63 Ca 0.02 -0.54 -0.28 0.00 0.69 0.00 0.00 54.13 54.03 2kc0 s LEU 63 Cb -0.01 -1.48 -0.03 0.00 -0.43 0.00 0.00 46.19 44.23 2kc0 s LEU 63 CO -0.11 0.11 2.00 0.20 -0.29 0.00 0.00 176.35 178.26 2kc0 s ASN 64 N 0.67 5.42 -0.50 3.68 0.01 -1.26 -1.04 114.94 121.93 2kc0 s ASN 64 Ca -0.10 1.20 0.06 0.00 -0.71 0.00 0.00 52.86 53.31 2kc0 s ASN 64 Cb -0.16 -2.52 0.21 0.00 0.41 0.00 0.00 41.25 39.19 2kc0 s ASN 64 CO 0.02 -2.10 0.82 1.07 -1.51 0.00 0.00 177.10 175.39 2kc0 n THR 65 N 7.55 0.00 0.00 1.60 5.66 -0.47 -4.84 114.28 123.78 2kc0 n THR 65 Ca 0.26 -1.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.07 2kc0 n THR 65 Cb 0.49 1.21 0.00 0.00 -1.55 0.00 0.00 70.33 70.48 2kc0 n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kc0 n GLY 66 N 2.35 -1.74 3.49 1.09 0.00 -0.62 -3.90 105.19 105.86 2kc0 n GLY 66 Ca 0.14 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2kc0 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kc0 s LYS 67 N 0.00 3.60 -0.21 1.61 3.01 -1.26 -4.79 119.74 121.70 2kc0 s LYS 67 Ca 0.00 -1.53 -0.05 0.00 -1.01 0.00 0.00 55.97 53.38 2kc0 s LYS 67 Cb 0.00 -5.09 -0.11 0.00 -1.01 0.00 0.00 37.83 31.62 2kc0 s LYS 67 CO 0.00 -1.94 -0.23 -0.11 0.51 0.00 0.00 175.35 173.58 2kc0 n LEU 68 N 7.43 2.23 -3.83 3.17 7.94 -1.26 -5.09 117.00 127.58 2kc0 n LEU 68 Ca 0.28 0.09 -0.07 0.00 -1.11 0.00 0.00 56.01 55.20 2kc0 n LEU 68 Cb 0.50 -0.68 0.02 0.00 0.53 0.00 0.00 43.42 43.79 2kc0 n LEU 68 CO 0.56 0.64 0.63 -0.75 -1.11 0.00 0.00 177.39 177.36 2kc0 s LYS 69 N -2.40 1.86 0.00 1.96 2.47 -1.26 -5.14 119.74 117.23 2kc0 s LYS 69 Ca -0.29 -1.18 0.00 0.00 -1.56 0.00 0.00 55.97 52.94 2kc0 s LYS 69 Cb 0.10 0.53 0.00 0.00 -1.46 0.00 0.00 37.83 37.00 2kc0 s LYS 69 CO 0.43 -0.87 0.91 0.09 0.16 0.00 0.00 175.35 176.07 2kc0 n ASN 70 N -1.23 0.00 -2.72 1.43 3.02 -1.26 -4.79 115.26 109.71 2kc0 n ASN 70 Ca -0.06 0.91 -0.04 0.00 -0.03 0.00 0.00 54.58 55.36 2kc0 n ASN 70 Cb 0.60 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 39.38 2kc0 n ASN 70 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2kc0 n ASP 71 N -2.02 -2.58 -4.02 6.41 5.75 -1.25 -4.24 116.55 114.60 2kc0 n ASP 71 Ca 0.00 -2.09 -0.08 0.00 -0.01 0.00 0.00 54.79 52.61 2kc0 n ASP 71 Cb 0.00 1.31 -0.10 0.00 -1.03 0.00 0.00 41.12 41.30 2kc0 n ASP 71 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2kc0 s LYS 72 N 0.90 0.55 0.30 0.11 -2.85 -0.51 -4.95 119.74 113.27 2kc0 s LYS 72 Ca 0.27 -0.97 -0.28 0.00 -1.00 0.00 0.00 55.97 53.99 2kc0 s LYS 72 Cb 0.06 0.20 -0.09 0.00 -2.06 0.00 0.00 37.83 35.94 2kc0 s LYS 72 CO -0.08 -0.11 1.04 0.14 0.10 0.00 0.00 175.35 176.44 2kc0 s VAL 73 N -3.08 3.72 0.07 1.79 -7.23 -1.26 -0.23 120.40 114.19 2kc0 s VAL 73 Ca -0.01 1.63 0.07 0.00 -1.81 0.00 0.00 61.98 61.86 2kc0 s VAL 73 Cb 0.02 -4.00 -0.03 0.00 0.56 0.00 0.00 36.38 32.93 2kc0 s VAL 73 CO -0.07 0.31 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.39 2kc0 s SER 74 N -1.13 2.39 -0.08 4.85 0.01 0.48 -4.94 113.70 115.28 2kc0 s SER 74 Ca 0.47 -0.60 -0.16 0.00 1.31 0.00 0.00 55.95 56.97 2kc0 s SER 74 Cb -0.28 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.75 2kc0 s SER 74 CO 0.35 0.09 0.42 0.00 0.41 0.00 0.00 173.24 174.51 2kc0 s ARG 75 N -1.55 4.17 0.02 12.44 1.70 -1.26 -1.76 118.95 132.72 2kc0 s ARG 75 Ca 0.06 0.37 0.01 0.00 -0.47 0.00 0.00 55.73 55.70 2kc0 s ARG 75 Cb -0.09 -3.36 -0.02 0.00 -0.57 0.00 0.00 34.95 30.91 2kc0 s ARG 75 CO 0.03 0.37 -0.05 -0.06 -1.08 0.00 0.00 175.30 174.51 2kc0 s PHE 76 N -0.03 0.41 0.08 5.89 0.08 -0.94 -4.99 117.98 118.48 2kc0 s PHE 76 Ca 0.23 -0.44 -0.09 0.00 0.12 0.00 0.00 56.93 56.75 2kc0 s PHE 76 Cb -0.15 -0.26 -0.06 0.00 -0.57 0.00 0.00 43.02 41.98 2kc0 s PHE 76 CO 0.10 -0.12 0.40 -0.51 -0.10 0.00 0.00 175.22 174.99 2kc0 s ASP 77 N -1.27 6.62 -0.03 1.36 1.11 -0.79 -2.10 116.67 121.58 2kc0 s ASP 77 Ca -0.11 0.77 -0.02 0.00 0.18 0.00 0.00 52.55 53.37 2kc0 s ASP 77 Cb -0.08 -2.17 0.01 0.00 1.07 0.00 0.00 42.92 41.75 2kc0 s ASP 77 CO -0.00 0.16 0.07 0.12 1.18 0.00 0.00 175.17 176.70 2kc0 s PHE 78 N -1.42 -0.07 -0.01 4.23 2.19 -0.57 -1.25 117.98 121.08 2kc0 s PHE 78 Ca 0.34 0.20 0.03 0.00 0.33 0.00 0.00 56.93 57.82 2kc0 s PHE 78 Cb -0.14 -0.01 -0.01 0.00 -1.31 0.00 0.00 43.02 41.56 2kc0 s PHE 78 CO 0.18 -0.05 -0.09 0.42 1.83 0.00 0.00 175.22 177.51 2kc0 s ILE 79 N 0.23 0.71 0.40 3.12 1.09 -0.21 -1.44 121.20 125.11 2kc0 s ILE 79 Ca -0.02 -0.38 -0.00 0.00 -1.10 0.00 0.00 60.65 59.15 2kc0 s ILE 79 Cb -0.03 -0.60 -0.02 0.00 -1.06 0.00 0.00 42.46 40.75 2kc0 s ILE 79 CO -0.01 0.21 0.63 -0.13 -0.10 0.00 0.00 174.94 175.54 2kc0 s ARG 80 N -0.16 3.34 -0.19 2.79 0.52 0.13 -0.47 118.95 124.90 2kc0 s ARG 80 Ca 0.03 -0.31 -0.27 0.00 -0.52 0.00 0.00 55.73 54.65 2kc0 s ARG 80 Cb -0.04 -2.58 0.08 0.00 0.52 0.00 0.00 34.95 32.93 2kc0 s ARG 80 CO -0.00 -0.06 0.77 1.14 0.02 0.00 0.00 175.30 177.17 2kc0 s GLN 81 N -4.47 0.85 0.22 3.54 -2.07 -0.56 -4.55 119.66 112.62 2kc0 s GLN 81 Ca 0.44 0.62 -0.17 0.00 -1.82 0.00 0.00 55.36 54.43 2kc0 s GLN 81 Cb -0.10 0.41 0.02 0.00 -1.09 0.00 0.00 33.01 32.25 2kc0 s GLN 81 CO 0.38 -0.18 0.55 -1.50 -1.32 0.00 0.00 175.29 173.22 2kc0 s ILE 82 N -0.30 0.02 -0.38 3.63 2.07 -1.25 -1.66 121.20 123.32 2kc0 s ILE 82 Ca -0.04 -0.94 0.06 0.00 -1.41 0.00 0.00 60.65 58.33 2kc0 s ILE 82 Cb -0.03 -1.78 0.44 0.00 0.13 0.00 0.00 42.46 41.22 2kc0 s ILE 82 CO 0.03 -0.07 1.13 1.21 -1.91 0.00 0.00 174.94 175.33 2kc0 n GLU 83 N -0.37 3.40 -1.72 3.50 2.13 -1.25 -3.89 120.64 122.43 2kc0 n GLU 83 Ca -0.07 -4.34 -0.42 0.00 0.66 0.00 0.00 57.16 52.99 2kc0 n GLU 83 Cb 0.62 -2.22 -0.03 0.00 0.27 0.00 0.00 31.44 30.08 2kc0 n GLU 83 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2kc0 s VAL 84 N -5.11 2.97 -1.06 6.31 -7.23 -1.01 -1.09 120.40 114.17 2kc0 s VAL 84 Ca 0.48 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 2kc0 s VAL 84 Cb 0.40 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 34.28 2kc0 s VAL 84 CO -0.10 -0.01 0.00 0.47 -0.31 0.00 0.00 175.10 175.15 2kc0 n ASP 85 N 7.07 -3.69 0.00 4.85 8.00 -1.26 -0.76 116.55 130.75 2kc0 n ASP 85 Ca 0.19 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2kc0 n ASP 85 Cb 0.41 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.31 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kc0 n GLY 86 N -0.69 0.48 3.73 0.44 0.00 -0.25 -5.05 105.19 103.84 2kc0 n GLY 86 Ca -0.14 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2kc0 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kc0 s GLN 87 N -0.65 4.07 -0.18 1.61 -0.21 0.06 -5.03 119.66 119.33 2kc0 s GLN 87 Ca 0.00 -0.24 -0.04 0.00 0.02 0.00 0.00 55.36 55.11 2kc0 s GLN 87 Cb 0.00 -3.36 -0.02 0.00 1.00 0.00 0.00 33.01 30.63 2kc0 s GLN 87 CO 0.00 0.34 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.96 2kc0 s LEU 88 N 0.23 3.08 0.02 2.90 1.02 -1.26 -2.39 118.68 122.27 2kc0 s LEU 88 Ca 0.08 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 53.99 2kc0 s LEU 88 Cb -0.11 -1.76 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 2kc0 s LEU 88 CO -0.01 0.08 -0.06 0.27 0.02 0.00 0.00 176.35 176.65 2kc0 s ILE 89 N 0.86 0.45 -0.11 -0.59 -4.36 -1.25 -5.07 121.20 111.12 2kc0 s ILE 89 Ca -0.01 -0.60 0.24 0.00 -0.26 0.00 0.00 60.65 60.03 2kc0 s ILE 89 Cb -0.15 -0.45 0.46 0.00 1.25 0.00 0.00 42.46 43.57 2kc0 s ILE 89 CO 0.01 -0.11 1.15 0.41 0.24 0.00 0.00 174.94 176.64 2kc0 n THR 90 N 2.29 0.54 -2.58 8.37 -1.04 -1.26 -3.92 114.28 116.67 2kc0 n THR 90 Ca -0.17 -1.80 -0.13 0.00 -2.04 0.00 0.00 64.05 59.91 2kc0 n THR 90 Cb 0.57 1.12 0.02 0.00 -1.82 0.00 0.00 70.33 70.23 2kc0 n THR 90 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2kc0 n LEU 91 N 0.01 2.65 -3.76 -4.42 4.77 -1.26 -4.95 117.00 110.03 2kc0 n LEU 91 Ca 0.06 -4.08 -0.28 0.00 -0.03 0.00 0.00 56.01 51.68 2kc0 n LEU 91 Cb 0.99 0.13 -0.16 0.00 -2.33 0.00 0.00 43.42 42.06 2kc0 n LEU 91 CO 0.00 1.69 -0.37 -1.61 -1.33 0.00 0.00 177.39 175.78 2kc0 s GLU 92 N -3.40 0.81 0.04 3.23 2.02 -1.26 -2.42 118.70 117.71 2kc0 s GLU 92 Ca 0.35 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.66 2kc0 s GLU 92 Cb 0.41 -2.16 -0.01 0.00 0.10 0.00 0.00 34.13 32.48 2kc0 s GLU 92 CO -0.03 -0.70 0.11 -1.12 0.02 0.00 0.00 175.26 173.54 2kc0 s SER 93 N 1.75 0.15 0.28 -0.19 0.01 -1.10 -0.70 113.70 113.90 2kc0 s SER 93 Ca 0.00 -0.49 -0.19 0.00 1.31 0.00 0.00 55.95 56.58 2kc0 s SER 93 Cb -0.17 0.23 0.07 0.00 0.21 0.00 0.00 66.02 66.35 2kc0 s SER 93 CO -0.11 -0.50 0.93 -0.83 0.41 0.00 0.00 173.24 173.14 2kc0 s GLY 94 N -2.06 0.24 -0.52 3.44 0.00 -0.52 -3.69 107.32 104.20 2kc0 s GLY 94 Ca -0.06 -0.53 -0.27 0.00 0.00 0.00 0.00 44.72 43.86 2kc0 s GLY 94 CO -0.04 1.25 1.06 1.85 0.00 0.00 0.00 173.10 177.23 2kc0 s GLU 95 N -2.20 3.52 -0.53 2.90 2.12 0.84 -1.52 118.70 123.83 2kc0 s GLU 95 Ca 0.19 0.18 -0.28 0.00 0.36 0.00 0.00 54.97 55.43 2kc0 s GLU 95 Cb -0.04 -3.98 0.03 0.00 0.26 0.00 0.00 34.13 30.41 2kc0 s GLU 95 CO 0.08 -1.46 1.12 0.12 -0.54 0.00 0.00 175.26 174.58 2kc0 s PHE 96 N 4.33 2.74 -0.31 5.30 5.36 -0.89 -0.79 117.98 133.72 2kc0 s PHE 96 Ca 0.40 0.48 -0.10 0.00 -0.96 0.00 0.00 56.93 56.75 2kc0 s PHE 96 Cb -0.09 -4.38 -0.01 0.00 -0.34 0.00 0.00 43.02 38.20 2kc0 s PHE 96 CO 0.26 -1.39 0.15 -1.14 -1.46 0.00 0.00 175.22 171.64 2kc0 s GLN 97 N 4.53 3.33 -0.28 10.12 0.74 -0.27 -2.21 119.66 135.63 2kc0 s GLN 97 Ca 0.43 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 55.13 2kc0 s GLN 97 Cb -0.08 -3.57 0.06 0.00 1.10 0.00 0.00 33.01 30.52 2kc0 s GLN 97 CO 0.27 -0.42 -0.07 0.08 -0.55 0.00 0.00 175.29 174.61 2kc0 s VAL 98 N 1.61 2.40 -0.09 1.34 1.01 -0.72 -1.44 120.40 124.51 2kc0 s VAL 98 Ca 0.05 -1.63 -0.25 0.00 0.00 0.00 0.00 61.98 60.15 2kc0 s VAL 98 Cb -0.17 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2kc0 s VAL 98 CO 0.06 -0.10 0.76 -0.47 0.00 0.00 0.00 175.10 175.35 2kc0 s TYR 99 N 1.13 3.54 -0.33 5.22 6.14 -0.14 -0.38 117.35 132.53 2kc0 s TYR 99 Ca -0.06 1.29 0.01 0.00 0.64 0.00 0.00 57.07 58.95 2kc0 s TYR 99 Cb -0.20 -2.89 0.08 0.00 0.42 0.00 0.00 41.96 39.37 2kc0 s TYR 99 CO -0.04 -0.01 0.03 0.21 0.64 0.00 0.00 175.55 176.39 2kc0 s LYS 100 N 1.16 1.98 0.34 4.97 2.36 0.69 -2.06 119.74 129.19 2kc0 s LYS 100 Ca 0.39 -1.60 0.00 0.00 -2.55 0.00 0.00 55.97 52.21 2kc0 s LYS 100 Cb -0.18 -3.21 0.00 0.00 -1.05 0.00 0.00 37.83 33.40 2kc0 s LYS 100 CO 0.18 -0.81 0.04 0.94 1.55 0.00 0.00 175.35 177.24 2kc0 n GLN 101 N 4.45 1.15 -3.29 4.03 -0.06 -1.08 -1.43 117.38 121.15 2kc0 n GLN 101 Ca -0.05 -2.46 -0.34 0.00 -2.00 0.00 0.00 57.00 52.14 2kc0 n GLN 101 Cb 0.42 0.61 -0.06 0.00 -4.06 0.00 0.00 30.24 27.15 2kc0 n GLN 101 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 2kc0 s SER 102 N -2.91 6.83 0.00 1.69 0.01 -1.26 -4.41 113.70 113.64 2kc0 s SER 102 Ca 0.03 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2kc0 s SER 102 Cb -0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2kc0 s SER 102 CO 0.02 0.01 0.00 1.41 0.41 0.00 0.00 173.24 175.09 2kc0 n HIS 103 N 0.44 0.00 -3.53 2.43 8.25 -1.26 -4.80 115.22 116.76 2kc0 n HIS 103 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 2kc0 n HIS 103 Cb 0.52 -1.50 -0.02 0.00 1.12 0.00 0.00 29.99 30.10 2kc0 n HIS 103 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2kc0 s SER 104 N -1.48 -0.33 -0.20 0.41 1.04 -1.26 -1.63 113.70 110.25 2kc0 s SER 104 Ca 0.00 0.05 -0.28 0.00 0.48 0.00 0.00 55.95 56.20 2kc0 s SER 104 Cb 0.00 0.34 0.12 0.00 0.10 0.00 0.00 66.02 66.58 2kc0 s SER 104 CO 0.00 -0.53 0.97 0.00 0.98 0.00 0.00 173.24 174.67 2kc0 s ALA 105 N -2.75 -1.93 0.06 5.32 0.00 -0.29 -2.65 121.76 119.53 2kc0 s ALA 105 Ca 0.05 1.68 0.03 0.00 0.00 0.00 0.00 51.96 53.71 2kc0 s ALA 105 Cb -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 2kc0 s ALA 105 CO -0.07 -0.29 -0.08 -0.48 0.00 0.00 0.00 175.76 174.84 2kc0 s LEU 106 N -0.59 2.33 0.22 0.00 0.05 -0.87 -2.17 118.68 117.65 2kc0 s LEU 106 Ca -0.01 -0.68 0.08 0.00 0.05 0.00 0.00 54.13 53.57 2kc0 s LEU 106 Cb -0.02 -0.19 -0.04 0.00 -2.05 0.00 0.00 46.19 43.89 2kc0 s LEU 106 CO -0.00 -0.25 0.03 0.28 -0.55 0.00 0.00 176.35 175.85 2kc0 s THR 107 N -1.96 3.76 0.04 5.48 -1.32 -1.23 -0.97 115.64 119.44 2kc0 s THR 107 Ca -0.03 -1.59 -0.03 0.00 -1.21 0.00 0.00 61.69 58.84 2kc0 s THR 107 Cb -0.06 -2.96 -0.02 0.00 -1.51 0.00 0.00 72.50 67.95 2kc0 s THR 107 CO -0.01 -0.24 0.02 0.00 -2.21 0.00 0.00 174.62 172.18 2kc0 s ALA 108 N -2.01 0.17 0.03 11.08 0.00 -0.52 -1.08 121.76 129.43 2kc0 s ALA 108 Ca 0.30 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.51 2kc0 s ALA 108 Cb -0.08 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2kc0 s ALA 108 CO 0.20 -0.29 0.00 -0.06 0.00 0.00 0.00 175.76 175.61 2kc0 s PHE 109 N -2.73 3.05 -0.36 0.00 0.40 -0.61 -1.11 117.98 116.62 2kc0 s PHE 109 Ca -0.04 0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 2kc0 s PHE 109 Cb -0.01 -1.62 0.15 0.00 0.51 0.00 0.00 43.02 42.05 2kc0 s PHE 109 CO -0.05 0.47 0.35 -1.14 0.70 0.00 0.00 175.22 175.54 2kc0 s GLN 110 N -1.84 0.61 0.12 0.44 2.00 0.03 -2.83 119.66 118.19 2kc0 s GLN 110 Ca 0.22 -0.89 -0.13 0.00 -2.00 0.00 0.00 55.36 52.56 2kc0 s GLN 110 Cb -0.12 -0.81 -0.07 0.00 0.80 0.00 0.00 33.01 32.82 2kc0 s GLN 110 CO 0.13 -1.19 0.50 -0.08 -0.50 0.00 0.00 175.29 174.16 2kc0 s THR 111 N 1.43 4.93 -0.08 -0.34 -1.32 -0.10 -0.12 115.64 120.05 2kc0 s THR 111 Ca 0.17 0.72 0.05 0.00 -1.21 0.00 0.00 61.69 61.41 2kc0 s THR 111 Cb -0.16 -3.71 -0.08 0.00 -1.51 0.00 0.00 72.50 67.04 2kc0 s THR 111 CO -0.05 0.27 -0.00 -0.62 -2.21 0.00 0.00 174.62 172.01 2kc0 n GLU 112 N 0.86 2.13 -3.87 7.08 1.02 -1.24 -1.10 120.64 125.52 2kc0 n GLU 112 Ca -0.06 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 56.97 2kc0 n GLU 112 Cb 0.52 -1.19 -0.14 0.00 -0.02 0.00 0.00 31.44 30.61 2kc0 n GLU 112 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2kc0 s GLN 113 N -2.18 0.01 -0.03 3.49 -0.21 -1.26 -2.51 119.66 116.97 2kc0 s GLN 113 Ca -0.06 0.02 -0.07 0.00 0.02 0.00 0.00 55.36 55.27 2kc0 s GLN 113 Cb 0.02 0.00 0.01 0.00 1.00 0.00 0.00 33.01 34.04 2kc0 s GLN 113 CO 0.27 -0.00 0.15 -1.50 -2.12 0.00 0.00 175.29 172.09 2kc0 s ILE 114 N 0.02 0.05 0.67 1.08 2.07 -1.04 -2.70 121.20 121.34 2kc0 s ILE 114 Ca -0.00 -0.38 -0.11 0.00 -1.41 0.00 0.00 60.65 58.74 2kc0 s ILE 114 Cb -0.00 -0.35 -0.01 0.00 0.13 0.00 0.00 42.46 42.23 2kc0 s ILE 114 CO -0.00 -0.21 1.06 -1.10 -1.91 0.00 0.00 174.94 172.77 2kc0 s GLN 115 N -0.73 3.16 0.20 3.50 -0.21 -1.02 -1.48 119.66 123.09 2kc0 s GLN 115 Ca -0.08 0.73 0.07 0.00 0.02 0.00 0.00 55.36 56.10 2kc0 s GLN 115 Cb -0.05 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 2kc0 s GLN 115 CO 0.01 -0.88 0.09 0.34 -2.12 0.00 0.00 175.29 172.73 2kc0 s ASP 116 N -4.10 5.16 -0.02 5.90 2.15 0.85 -4.91 116.67 121.71 2kc0 s ASP 116 Ca 0.57 -0.31 0.03 0.00 0.43 0.00 0.00 52.55 53.27 2kc0 s ASP 116 Cb -0.12 -1.22 0.04 0.00 -0.30 0.00 0.00 42.92 41.32 2kc0 s ASP 116 CO 0.54 0.04 0.84 -1.54 -0.17 0.00 0.00 175.17 174.88 2kc0 n SER 117 N -0.54 0.68 0.00 -0.34 3.41 -1.26 -3.80 113.62 111.78 2kc0 n SER 117 Ca -0.08 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 2kc0 n SER 117 Cb 0.56 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2kc0 n SER 117 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2kc0 n GLU 118 N -0.30 0.69 0.02 4.33 0.28 -1.26 -4.83 120.64 119.58 2kc0 n GLU 118 Ca 0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.84 2kc0 n GLU 118 Cb 0.54 -0.68 -0.14 0.00 1.43 0.00 0.00 31.44 32.59 2kc0 n GLU 118 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kc0 h HIS 119 N 0.00 0.47 0.00 -1.84 3.86 -1.98 -3.46 115.15 112.20 2kc0 h HIS 119 Ca 0.00 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2kc0 h HIS 119 Cb 0.37 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2kc0 h HIS 119 CO 0.00 1.22 0.00 0.45 0.86 0.00 0.00 177.93 180.46 2kc0 n SER 120 N -4.22 0.00 -0.65 2.45 2.88 -1.26 -5.02 113.62 107.80 2kc0 n SER 120 Ca -0.13 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.35 2kc0 n SER 120 Cb 0.74 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.18 2kc0 n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kc0 n GLY 121 N 0.00 0.41 4.01 0.46 0.00 -1.25 -5.04 105.19 103.78 2kc0 n GLY 121 Ca 0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 2kc0 n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kc0 s LYS 122 N -3.63 2.60 0.39 1.61 -0.14 -1.26 -4.83 119.74 114.47 2kc0 s LYS 122 Ca 0.00 -1.44 0.08 0.00 -1.36 0.00 0.00 55.97 53.25 2kc0 s LYS 122 Cb 0.00 -2.67 -0.01 0.00 -1.68 0.00 0.00 37.83 33.47 2kc0 s LYS 122 CO 0.00 -0.50 0.43 0.00 -0.76 0.00 0.00 175.35 174.53 2kc0 s MET 123 N -4.45 2.76 0.03 1.68 0.23 -1.26 -0.10 119.30 118.18 2kc0 s MET 123 Ca 0.56 -1.31 0.01 0.00 -1.03 0.00 0.00 55.69 53.92 2kc0 s MET 123 Cb -0.08 -2.59 -0.02 0.00 -1.53 0.00 0.00 34.83 30.62 2kc0 s MET 123 CO 0.34 -0.12 -0.05 0.14 -2.03 0.00 0.00 175.02 173.31 2kc0 s VAL 124 N -2.35 0.29 -0.50 5.16 -7.23 -0.55 -4.92 120.40 110.31 2kc0 s VAL 124 Ca 0.48 -0.99 -0.11 0.00 -1.81 0.00 0.00 61.98 59.55 2kc0 s VAL 124 Cb -0.07 -0.42 0.12 0.00 0.56 0.00 0.00 36.38 36.57 2kc0 s VAL 124 CO 0.30 -0.46 0.39 0.00 -0.31 0.00 0.00 175.10 175.02 2kc0 s ALA 125 N -1.46 3.47 -0.06 1.32 0.00 -1.26 -2.49 121.76 121.28 2kc0 s ALA 125 Ca -0.13 -2.56 0.01 0.00 0.00 0.00 0.00 51.96 49.28 2kc0 s ALA 125 Cb -0.10 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.10 2kc0 s ALA 125 CO -0.00 -1.94 -0.06 0.15 0.00 0.00 0.00 175.76 173.90 2kc0 s LYS 126 N 1.39 1.10 -1.15 0.00 3.01 -1.05 -5.02 119.74 118.03 2kc0 s LYS 126 Ca 0.05 -0.18 -0.08 0.00 -1.01 0.00 0.00 55.97 54.75 2kc0 s LYS 126 Cb -0.27 -1.07 -0.09 0.00 -1.01 0.00 0.00 37.83 35.39 2kc0 s LYS 126 CO 0.00 -0.09 2.64 -2.13 0.51 0.00 0.00 175.35 176.28 2kc0 n ARG 127 N 4.16 2.82 -2.60 1.68 3.00 -1.26 -4.11 116.66 120.35 2kc0 n ARG 127 Ca -0.22 -1.74 -0.43 0.00 -0.00 0.00 0.00 57.85 55.46 2kc0 n ARG 127 Cb 0.51 -2.55 -0.02 0.00 0.00 0.00 0.00 32.46 30.39 2kc0 n ARG 127 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2kc0 s GLN 128 N 2.56 4.26 0.02 -0.14 2.00 -0.26 -4.86 119.66 123.24 2kc0 s GLN 128 Ca 0.56 1.44 0.07 0.00 -2.00 0.00 0.00 55.36 55.43 2kc0 s GLN 128 Cb 0.16 -3.67 -0.03 0.00 0.80 0.00 0.00 33.01 30.27 2kc0 s GLN 128 CO -0.04 -0.64 -0.20 0.12 -0.50 0.00 0.00 175.29 174.03 2kc0 s PHE 129 N 3.24 2.52 0.04 1.67 2.19 -1.26 -0.92 117.98 125.46 2kc0 s PHE 129 Ca 0.47 -0.28 -0.10 0.00 0.33 0.00 0.00 56.93 57.35 2kc0 s PHE 129 Cb -0.17 -1.48 0.01 0.00 -1.31 0.00 0.00 43.02 40.06 2kc0 s PHE 129 CO 0.09 0.19 0.21 1.03 1.83 0.00 0.00 175.22 178.57 2kc0 s ARG 130 N -1.20 0.69 0.48 10.12 1.81 -1.13 -4.78 118.95 124.94 2kc0 s ARG 130 Ca 0.13 -0.59 -0.19 0.00 -1.72 0.00 0.00 55.73 53.37 2kc0 s ARG 130 Cb -0.10 0.29 -0.09 0.00 -0.45 0.00 0.00 34.95 34.60 2kc0 s ARG 130 CO 0.03 -0.20 0.98 -1.50 -0.68 0.00 0.00 175.30 173.93 2kc0 s ILE 131 N -2.45 4.34 0.02 1.52 1.10 -1.26 -1.58 121.20 122.89 2kc0 s ILE 131 Ca -0.06 1.31 0.00 0.00 -0.51 0.00 0.00 60.65 61.39 2kc0 s ILE 131 Cb -0.02 -3.61 0.00 0.00 0.15 0.00 0.00 42.46 38.98 2kc0 s ILE 131 CO -0.03 -0.46 0.02 0.61 -2.11 0.00 0.00 174.94 172.97 2kc0 n GLY 132 N -0.97 2.69 3.77 1.50 0.00 -0.24 -4.84 105.19 107.09 2kc0 n GLY 132 Ca 0.07 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 2kc0 n GLY 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kc0 s ASP 133 N -1.11 6.68 -0.97 1.61 2.15 -1.26 -4.81 116.67 118.96 2kc0 s ASP 133 Ca 0.01 2.56 -0.17 0.00 0.43 0.00 0.00 52.55 55.38 2kc0 s ASP 133 Cb -0.00 -2.64 0.16 0.00 -0.30 0.00 0.00 42.92 40.14 2kc0 s ASP 133 CO 0.01 -0.58 1.13 -0.63 -0.17 0.00 0.00 175.17 174.92 2kc0 s ILE 134 N -1.23 4.97 0.22 4.11 -1.09 -1.26 -3.56 121.20 123.36 2kc0 s ILE 134 Ca 0.52 -1.97 -0.27 0.00 -2.23 0.00 0.00 60.65 56.70 2kc0 s ILE 134 Cb -0.37 -4.75 -0.09 0.00 -1.58 0.00 0.00 42.46 35.68 2kc0 s ILE 134 CO 0.48 -1.44 0.85 0.00 -1.23 0.00 0.00 174.94 173.60 2kc0 s ALA 135 N 1.95 3.37 0.00 9.38 0.00 -0.92 -4.98 121.76 130.56 2kc0 s ALA 135 Ca 0.32 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2kc0 s ALA 135 Cb -0.05 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2kc0 s ALA 135 CO -0.08 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2kc0 n GLY 136 N 1.33 3.20 3.30 0.00 0.00 -1.26 -1.14 105.19 110.61 2kc0 n GLY 136 Ca -0.03 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 2kc0 n GLY 136 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kc0 s GLU 137 N -2.21 2.75 -0.12 1.61 -1.05 -0.65 -4.97 118.70 114.07 2kc0 s GLU 137 Ca 0.00 -1.53 -0.05 0.00 -0.15 0.00 0.00 54.97 53.25 2kc0 s GLU 137 Cb 0.00 -4.00 0.06 0.00 -0.44 0.00 0.00 34.13 29.75 2kc0 s GLU 137 CO 0.00 -1.08 0.24 -3.38 0.95 0.00 0.00 175.26 171.99 2kc0 s HIS 138 N 1.50 -0.36 0.08 4.83 -3.43 -1.26 -1.67 115.29 114.98 2kc0 s HIS 138 Ca 0.04 0.86 -0.27 0.00 -0.80 0.00 0.00 55.06 54.89 2kc0 s HIS 138 Cb -0.25 -0.05 0.08 0.00 -1.43 0.00 0.00 32.58 30.93 2kc0 s HIS 138 CO 0.03 -0.31 0.94 0.99 -2.00 0.00 0.00 174.74 174.39 2kc0 s THR 139 N 2.09 0.00 -1.09 -5.38 2.01 -1.26 -4.77 115.64 107.24 2kc0 s THR 139 Ca -0.01 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 2kc0 s THR 139 Cb -0.12 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 2kc0 s THR 139 CO -0.08 0.00 0.90 -1.20 -0.69 0.00 0.00 174.62 173.55 2kc0 n SER 140 N -0.37 -5.85 0.09 3.53 7.64 -1.24 -4.95 113.62 112.46 2kc0 n SER 140 Ca -0.07 -0.76 -0.09 0.00 1.01 0.00 0.00 58.87 58.96 2kc0 n SER 140 Cb 0.61 -4.88 -0.04 0.00 -1.01 0.00 0.00 64.21 58.90 2kc0 n SER 140 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2kc0 h PHE 141 N -1.31 0.23 0.00 1.43 3.57 -1.93 -3.28 116.94 115.65 2kc0 h PHE 141 Ca -0.62 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 60.74 2kc0 h PHE 141 Cb 1.32 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2kc0 h PHE 141 CO 0.32 1.00 0.00 -3.47 -2.23 0.00 0.00 178.31 173.93 2kc0 n ASP 142 N -3.58 0.19 -0.08 0.41 2.03 -1.26 -1.19 116.55 113.08 2kc0 n ASP 142 Ca -0.03 -1.42 0.04 0.00 0.52 0.00 0.00 54.79 53.90 2kc0 n ASP 142 Cb 0.86 -0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 41.13 2kc0 n ASP 142 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kc0 n LYS 143 N -0.32 3.52 -2.97 -0.67 4.76 -1.24 -4.99 118.16 116.25 2kc0 n LYS 143 Ca 0.00 -0.22 -0.39 0.00 -2.87 0.00 0.00 58.31 54.83 2kc0 n LYS 143 Cb 0.05 -0.93 -0.06 0.00 -1.84 0.00 0.00 35.03 32.24 2kc0 n LYS 143 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kc0 s LEU 144 N -2.02 4.54 0.83 -0.35 1.02 -0.34 -5.07 118.68 117.29 2kc0 s LEU 144 Ca 0.05 1.65 -0.11 0.00 0.02 0.00 0.00 54.13 55.74 2kc0 s LEU 144 Cb 0.06 -3.42 0.09 0.00 0.02 0.00 0.00 46.19 42.94 2kc0 s LEU 144 CO 0.28 0.16 1.10 -2.16 0.02 0.00 0.00 176.35 175.74 2kc0 s PRO 145 N -1.35 1.77 -0.79 1.29 0.04 -1.26 -4.96 135.00 129.74 2kc0 s PRO 145 Ca 0.38 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 2kc0 s PRO 145 Cb -0.22 -1.85 0.38 0.00 0.04 0.00 0.00 34.50 32.85 2kc0 s PRO 145 CO 0.26 -1.96 2.01 -1.91 0.04 0.00 0.00 177.00 175.44 2kc0 n GLU 146 N -3.73 2.75 -3.59 4.56 2.13 -1.26 -4.81 120.64 116.70 2kc0 n GLU 146 Ca 0.09 -3.48 -0.12 0.00 0.66 0.00 0.00 57.16 54.31 2kc0 n GLU 146 Cb 0.54 -2.28 -0.06 0.00 0.27 0.00 0.00 31.44 29.91 2kc0 n GLU 146 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2kc0 s GLY 147 N -1.36 -0.32 0.00 8.31 0.00 -1.15 -4.09 107.32 108.71 2kc0 s GLY 147 Ca 0.56 2.08 0.00 0.00 0.00 0.00 0.00 44.72 47.36 2kc0 s GLY 147 CO -0.29 1.31 0.00 0.61 0.00 0.00 0.00 173.10 174.72 2kc0 n GLY 148 N 1.35 1.28 3.07 0.20 0.00 -1.26 -4.41 105.19 105.42 2kc0 n GLY 148 Ca -0.13 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.54 2kc0 n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kc0 s ARG 149 N -1.45 0.77 -0.22 1.61 1.70 -1.26 -0.67 118.95 119.44 2kc0 s ARG 149 Ca 0.00 -0.55 -0.01 0.00 -0.47 0.00 0.00 55.73 54.70 2kc0 s ARG 149 Cb 0.00 -0.73 0.06 0.00 -0.57 0.00 0.00 34.95 33.71 2kc0 s ARG 149 CO 0.00 0.19 -0.01 0.00 -1.08 0.00 0.00 175.30 174.40 2kc0 s ALA 150 N -0.62 1.49 0.38 7.88 0.00 -0.23 -4.94 121.76 125.73 2kc0 s ALA 150 Ca 0.01 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 2kc0 s ALA 150 Cb -0.06 -1.32 -0.10 0.00 0.00 0.00 0.00 23.12 21.64 2kc0 s ALA 150 CO 0.00 -1.20 0.92 0.99 0.00 0.00 0.00 175.76 176.48 2kc0 s THR 151 N 1.62 4.37 0.00 0.00 2.01 -1.26 -1.14 115.64 121.25 2kc0 s THR 151 Ca -0.03 1.53 -0.03 0.00 0.31 0.00 0.00 61.69 63.47 2kc0 s THR 151 Cb -0.18 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 2kc0 s THR 151 CO -0.07 -0.16 0.04 -0.31 -0.69 0.00 0.00 174.62 173.42 2kc0 s TYR 152 N -1.98 0.11 -0.49 4.92 2.02 0.09 -4.77 117.35 117.25 2kc0 s TYR 152 Ca 0.57 -0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.92 2kc0 s TYR 152 Cb -0.12 -0.09 0.11 0.00 -0.40 0.00 0.00 41.96 41.46 2kc0 s TYR 152 CO 0.17 -0.18 0.39 0.50 -1.57 0.00 0.00 175.55 174.86 2kc0 s ARG 153 N -1.05 2.71 0.07 -0.62 3.00 -1.25 -1.90 118.95 119.91 2kc0 s ARG 153 Ca -0.11 -1.66 -0.11 0.00 -1.00 0.00 0.00 55.73 52.84 2kc0 s ARG 153 Cb -0.07 -4.05 -0.06 0.00 0.00 0.00 0.00 34.95 30.77 2kc0 s ARG 153 CO 0.00 -1.19 0.41 0.20 0.00 0.00 0.00 175.30 174.72 2kc0 s GLY 154 N 2.89 2.37 -0.17 8.12 0.00 -1.10 -3.96 107.32 115.48 2kc0 s GLY 154 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.44 2kc0 s GLY 154 CO 0.02 -0.09 -0.20 -1.59 0.00 0.00 0.00 173.10 171.24 2kc0 s THR 155 N -1.35 2.02 0.33 0.90 2.01 0.26 -3.60 115.64 116.21 2kc0 s THR 155 Ca 0.32 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 2kc0 s THR 155 Cb -0.14 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 2kc0 s THR 155 CO 0.17 0.54 0.59 0.00 -0.69 0.00 0.00 174.62 175.23 2kc0 s ALA 156 N 1.19 3.60 -0.18 7.40 0.00 -1.25 -2.73 121.76 129.79 2kc0 s ALA 156 Ca 0.02 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.27 2kc0 s ALA 156 Cb -0.14 -2.31 0.06 0.00 0.00 0.00 0.00 23.12 20.74 2kc0 s ALA 156 CO -0.10 0.10 0.44 -0.59 0.00 0.00 0.00 175.76 175.61 2kc0 s PHE 157 N -2.23 -0.66 -0.14 0.00 -0.71 -0.81 -4.77 117.98 108.66 2kc0 s PHE 157 Ca 0.44 1.39 -0.31 0.00 -1.04 0.00 0.00 56.93 57.41 2kc0 s PHE 157 Cb -0.10 0.31 0.13 0.00 -1.21 0.00 0.00 43.02 42.14 2kc0 s PHE 157 CO 0.33 -0.37 1.04 0.20 -1.34 0.00 0.00 175.22 175.08 2kc0 s GLY 158 N 1.51 -0.29 -1.24 1.99 0.00 -1.21 -1.32 107.32 106.77 2kc0 s GLY 158 Ca -0.09 1.77 -0.07 0.00 0.00 0.00 0.00 44.72 46.33 2kc0 s GLY 158 CO -0.14 0.77 1.89 -1.26 0.00 0.00 0.00 173.10 174.37 2kc0 n SER 159 N 0.32 5.95 0.00 1.64 2.88 -1.26 -1.83 113.62 121.33 2kc0 n SER 159 Ca -0.07 -3.20 0.00 0.00 -1.33 0.00 0.00 58.87 54.27 2kc0 n SER 159 Cb 0.59 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2kc0 n SER 159 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kc0 n ASP 160 N 2.82 -0.06 -0.75 -3.46 -0.08 -1.26 -5.01 116.55 108.76 2kc0 n ASP 160 Ca 0.41 0.01 -0.04 0.00 -1.51 0.00 0.00 54.79 53.67 2kc0 n ASP 160 Cb 0.33 0.38 -0.04 0.00 2.34 0.00 0.00 41.12 44.13 2kc0 n ASP 160 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2kc0 n ASP 161 N -2.52 -0.55 0.00 1.67 5.68 -1.22 -4.99 116.55 114.61 2kc0 n ASP 161 Ca 0.00 -1.36 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 2kc0 n ASP 161 Cb 0.00 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 2kc0 n ASP 161 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kc0 n ALA 162 N 0.00 0.00 0.00 2.12 0.00 -0.76 -3.91 120.51 117.96 2kc0 n ALA 162 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2kc0 n ALA 162 Cb 0.55 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2kc0 n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kc0 n GLY 163 N -2.00 2.15 0.00 0.00 0.00 -1.26 -1.93 105.19 102.15 2kc0 n GLY 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kc0 n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kc0 n GLY 164 N -2.00 -3.39 3.30 -0.02 0.00 -1.25 -4.98 105.19 96.85 2kc0 n GLY 164 Ca 0.00 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 2kc0 n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kc0 s LYS 165 N -0.67 1.39 0.20 1.61 1.02 -1.09 -3.88 119.74 118.33 2kc0 s LYS 165 Ca 0.00 -1.11 -0.08 0.00 0.02 0.00 0.00 55.97 54.80 2kc0 s LYS 165 Cb 0.00 -1.63 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 2kc0 s LYS 165 CO 0.00 0.40 0.30 -0.48 -0.92 0.00 0.00 175.35 174.65 2kc0 s LEU 166 N -1.56 0.81 -0.09 3.17 -0.00 -1.24 -2.19 118.68 117.58 2kc0 s LEU 166 Ca 0.09 -1.07 0.03 0.00 -0.00 0.00 0.00 54.13 53.19 2kc0 s LEU 166 Cb -0.10 1.12 0.00 0.00 -0.00 0.00 0.00 46.19 47.22 2kc0 s LEU 166 CO 0.03 -0.96 -0.20 -0.89 -0.00 0.00 0.00 176.35 174.33 2kc0 s THR 167 N -4.05 1.79 0.07 5.48 2.01 -0.52 -2.70 115.64 117.73 2kc0 s THR 167 Ca 0.26 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.43 2kc0 s THR 167 Cb 0.03 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 2kc0 s THR 167 CO 0.07 0.50 0.07 -0.31 -0.69 0.00 0.00 174.62 174.26 2kc0 s TYR 168 N 0.49 3.17 -0.14 4.92 1.51 -0.80 -1.58 117.35 124.92 2kc0 s TYR 168 Ca -0.16 0.08 -0.13 0.00 -1.01 0.00 0.00 57.07 55.84 2kc0 s TYR 168 Cb -0.17 -1.62 0.04 0.00 -0.11 0.00 0.00 41.96 40.09 2kc0 s TYR 168 CO 0.06 0.52 0.38 -0.08 -1.11 0.00 0.00 175.55 175.32 2kc0 s THR 169 N -1.35 -0.00 -0.20 -0.71 -1.32 -0.96 -0.73 115.64 110.37 2kc0 s THR 169 Ca 0.28 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.75 2kc0 s THR 169 Cb -0.12 -0.53 0.05 0.00 -1.51 0.00 0.00 72.50 70.40 2kc0 s THR 169 CO 0.21 0.00 -0.02 -0.51 -2.21 0.00 0.00 174.62 172.09 2kc0 s ILE 170 N 0.21 0.99 -0.61 5.08 2.07 -0.29 -1.82 121.20 126.83 2kc0 s ILE 170 Ca -0.00 -0.77 -0.27 0.00 -1.41 0.00 0.00 60.65 58.20 2kc0 s ILE 170 Cb -0.03 -1.33 0.01 0.00 0.13 0.00 0.00 42.46 41.24 2kc0 s ILE 170 CO 0.00 -0.07 1.53 -1.81 -1.91 0.00 0.00 174.94 172.69 2kc0 s ASP 171 N 1.65 5.86 0.56 4.50 1.11 -1.14 -1.06 116.67 128.15 2kc0 s ASP 171 Ca -0.02 0.16 0.25 0.00 0.18 0.00 0.00 52.55 53.12 2kc0 s ASP 171 Cb -0.17 -2.54 1.50 0.00 1.07 0.00 0.00 42.92 42.77 2kc0 s ASP 171 CO -0.07 -1.95 2.08 -0.26 1.18 0.00 0.00 175.17 176.15 2kc0 h PHE 172 N 12.08 0.00 0.00 4.23 -1.00 -1.17 0.71 116.94 131.80 2kc0 h PHE 172 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 2kc0 h PHE 172 Cb 1.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.67 2kc0 h PHE 172 CO 1.06 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 177.76 2kc0 h ALA 173 N 1.81 1.00 0.00 2.45 0.00 -1.64 -2.97 119.26 119.91 2kc0 h ALA 173 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kc0 h ALA 173 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kc0 h ALA 173 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2kc0 n ALA 174 N -2.03 1.96 -2.22 0.00 0.00 -0.29 -4.80 120.51 113.14 2kc0 n ALA 174 Ca -0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 2kc0 n ALA 174 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 2kc0 n ALA 174 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kc0 n LYS 175 N -0.90 -1.71 -4.08 0.00 3.00 0.09 -5.00 118.16 109.56 2kc0 n LYS 175 Ca 0.00 0.98 -0.34 0.00 -0.00 0.00 0.00 58.31 58.95 2kc0 n LYS 175 Cb 0.00 -5.57 -0.14 0.00 0.00 0.00 0.00 35.03 29.32 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2kc0 s GLN 176 N -4.73 3.30 -0.30 1.64 -0.21 -1.17 -3.96 119.66 114.24 2kc0 s GLN 176 Ca 0.00 -0.67 -0.10 0.00 0.02 0.00 0.00 55.36 54.61 2kc0 s GLN 176 Cb 0.00 -2.87 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 2kc0 s GLN 176 CO 0.00 -0.14 0.15 0.20 -2.12 0.00 0.00 175.29 173.39 2kc0 s GLY 177 N 1.27 1.87 0.36 3.09 0.00 0.31 -2.90 107.32 111.31 2kc0 s GLY 177 Ca 0.03 -1.31 0.08 0.00 0.00 0.00 0.00 44.72 43.52 2kc0 s GLY 177 CO -0.04 0.67 0.24 0.21 0.00 0.00 0.00 173.10 174.18 2kc0 s ASN 178 N 1.64 4.93 0.08 1.64 3.84 -0.75 -1.66 114.94 124.67 2kc0 s ASN 178 Ca 0.05 -0.70 0.02 0.00 0.21 0.00 0.00 52.86 52.44 2kc0 s ASN 178 Cb -0.17 -0.76 -0.01 0.00 -0.55 0.00 0.00 41.25 39.77 2kc0 s ASN 178 CO 0.07 -0.41 0.06 0.61 -2.79 0.00 0.00 177.10 174.64 2kc0 n GLY 179 N -1.31 3.79 3.64 1.21 0.00 -1.26 -2.25 105.19 109.01 2kc0 n GLY 179 Ca -0.01 -1.78 -0.05 0.00 0.00 0.00 0.00 46.02 44.18 2kc0 n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc0 s LYS 180 N -2.34 0.39 0.08 1.61 -2.85 -0.61 -4.20 119.74 111.83 2kc0 s LYS 180 Ca 0.09 0.56 0.01 0.00 -1.00 0.00 0.00 55.97 55.62 2kc0 s LYS 180 Cb 0.00 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.88 2kc0 s LYS 180 CO 0.06 -0.06 0.22 0.42 0.10 0.00 0.00 175.35 176.09 2kc0 s ILE 181 N 0.72 5.32 0.21 3.79 -1.09 -1.03 -1.43 121.20 127.69 2kc0 s ILE 181 Ca -0.02 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 2kc0 s ILE 181 Cb -0.04 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2kc0 s ILE 181 CO -0.11 0.08 0.00 1.21 -1.23 0.00 0.00 174.94 174.89 2kc0 n GLU 182 N 0.10 0.00 -2.08 2.79 2.13 -0.93 -4.44 120.64 118.21 2kc0 n GLU 182 Ca -0.06 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.46 2kc0 n GLU 182 Cb 0.52 -0.04 -0.05 0.00 0.27 0.00 0.00 31.44 32.13 2kc0 n GLU 182 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kc0 n HIS 183 N -3.26 2.91 -4.30 4.31 -0.00 -1.17 -4.33 115.22 109.39 2kc0 n HIS 183 Ca 0.00 -1.64 -0.27 0.00 0.46 0.00 0.00 57.72 56.28 2kc0 n HIS 183 Cb 0.00 -2.59 -0.07 0.00 -0.12 0.00 0.00 29.99 27.21 2kc0 n HIS 183 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kc0 s LEU 184 N 9.86 2.90 0.28 0.27 2.01 -1.26 -2.66 118.68 130.07 2kc0 s LEU 184 Ca 0.66 -1.25 0.02 0.00 0.01 0.00 0.00 54.13 53.57 2kc0 s LEU 184 Cb 0.01 -1.19 0.67 0.00 0.01 0.00 0.00 46.19 45.68 2kc0 s LEU 184 CO 0.13 -0.64 1.69 0.07 1.01 0.00 0.00 176.35 178.61 2kc0 h LYS 185 N 1.41 0.34 -5.35 1.70 2.10 -1.94 -3.43 116.57 111.40 2kc0 h LYS 185 Ca -0.43 -0.02 -0.41 0.00 -2.00 0.00 0.00 60.65 57.80 2kc0 h LYS 185 Cb 1.27 -0.08 -0.20 0.00 -0.90 0.00 0.00 32.23 32.32 2kc0 h LYS 185 CO 0.71 0.22 -0.77 -1.12 -2.00 0.00 0.00 179.45 176.50 2kc0 s SER 186 N -5.18 1.75 0.00 7.07 0.01 -1.26 -5.06 113.70 111.03 2kc0 s SER 186 Ca -0.12 -0.69 0.11 0.00 1.31 0.00 0.00 55.95 56.57 2kc0 s SER 186 Cb 0.24 -0.05 0.49 0.00 0.21 0.00 0.00 66.02 66.91 2kc0 s SER 186 CO 0.77 -0.11 1.37 -0.81 0.41 0.00 0.00 173.24 174.87 2kc0 n PRO 187 N 1.02 0.00 0.01 12.44 -0.04 -1.26 -2.17 135.00 144.99 2kc0 n PRO 187 Ca -0.19 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2kc0 n PRO 187 Cb 0.55 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.67 2kc0 n PRO 187 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kc0 n GLU 188 N -1.51 0.04 0.05 0.54 2.13 -1.26 -4.51 120.64 116.13 2kc0 n GLU 188 Ca 0.03 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.90 2kc0 n GLU 188 Cb 0.13 -1.52 -0.06 0.00 0.27 0.00 0.00 31.44 30.27 2kc0 n GLU 188 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2kc0 n LEU 189 N -1.57 0.77 -4.66 4.31 7.99 -0.92 -4.62 117.00 118.30 2kc0 n LEU 189 Ca 0.05 0.32 -0.53 0.00 -0.01 0.00 0.00 56.01 55.84 2kc0 n LEU 189 Cb 0.35 0.03 -0.06 0.00 -0.11 0.00 0.00 43.42 43.62 2kc0 n LEU 189 CO 0.37 0.01 1.47 -0.46 -1.51 0.00 0.00 177.39 177.27 2kc0 n ASN 190 N -2.76 2.74 -4.93 -1.43 0.23 -1.26 -4.20 115.26 103.65 2kc0 n ASN 190 Ca -0.06 0.93 -0.26 0.00 -0.53 0.00 0.00 54.58 54.66 2kc0 n ASN 190 Cb 0.72 -1.24 -0.02 0.00 -2.08 0.00 0.00 39.78 37.15 2kc0 n ASN 190 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2kc0 s VAL 191 N 4.39 5.13 0.34 3.53 -7.23 -1.26 -4.78 120.40 120.52 2kc0 s VAL 191 Ca 0.98 -0.37 -0.08 0.00 -1.81 0.00 0.00 61.98 60.70 2kc0 s VAL 191 Cb -0.90 -3.80 -0.06 0.00 0.56 0.00 0.00 36.38 32.19 2kc0 s VAL 191 CO 0.58 -0.38 0.65 -0.62 -0.31 0.00 0.00 175.10 175.02 2kc0 s ASP 192 N -3.59 6.49 -0.11 4.85 2.15 -1.26 -2.47 116.67 122.72 2kc0 s ASP 192 Ca 0.40 0.91 -0.00 0.00 0.43 0.00 0.00 52.55 54.29 2kc0 s ASP 192 Cb -0.10 -2.23 -0.02 0.00 -0.30 0.00 0.00 42.92 40.27 2kc0 s ASP 192 CO 0.32 -0.28 -0.11 -0.76 -0.17 0.00 0.00 175.17 174.17 2kc0 s LEU 193 N -3.65 2.87 -0.41 -1.34 1.02 -1.26 -4.07 118.68 111.83 2kc0 s LEU 193 Ca 0.47 -0.23 -0.28 0.00 0.02 0.00 0.00 54.13 54.11 2kc0 s LEU 193 Cb -0.11 -1.64 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 2kc0 s LEU 193 CO 0.30 0.22 1.65 0.00 0.02 0.00 0.00 176.35 178.54 2kc0 s ALA 194 N 0.04 2.84 0.07 4.21 0.00 -0.81 -4.47 121.76 123.64 2kc0 s ALA 194 Ca -0.03 -0.06 -0.36 0.00 0.00 0.00 0.00 51.96 51.50 2kc0 s ALA 194 Cb -0.14 -4.03 -0.15 0.00 0.00 0.00 0.00 23.12 18.79 2kc0 s ALA 194 CO 0.04 -2.73 1.50 0.00 0.00 0.00 0.00 175.76 174.56 2kc0 n ALA 195 N 10.04 0.04 -2.71 0.00 0.00 -1.26 -4.10 120.51 122.52 2kc0 n ALA 195 Ca 0.20 0.46 -0.18 0.00 0.00 0.00 0.00 53.44 53.92 2kc0 n ALA 195 Cb 0.48 -2.21 -0.13 0.00 0.00 0.00 0.00 19.45 17.58 2kc0 n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kc0 s ALA 196 N 1.16 0.92 0.59 0.00 0.00 -0.66 -4.96 121.76 118.80 2kc0 s ALA 196 Ca 0.84 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.15 2kc0 s ALA 196 Cb -0.85 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 22.22 2kc0 s ALA 196 CO 0.46 0.15 0.82 0.16 0.00 0.00 0.00 175.76 177.35 2kc0 s ASP 197 N -1.04 4.98 0.22 0.00 -4.77 -1.26 -0.53 116.67 114.27 2kc0 s ASP 197 Ca -0.01 -0.51 -0.30 0.00 -3.30 0.00 0.00 52.55 48.43 2kc0 s ASP 197 Cb -0.07 -0.11 -0.09 0.00 -1.09 0.00 0.00 42.92 41.56 2kc0 s ASP 197 CO 0.01 -1.39 1.26 -0.63 0.70 0.00 0.00 175.17 175.12 2kc0 s ILE 198 N -2.78 3.24 0.34 2.11 -1.09 -1.25 -3.86 121.20 117.90 2kc0 s ILE 198 Ca 0.62 1.08 -0.26 0.00 -2.23 0.00 0.00 60.65 59.85 2kc0 s ILE 198 Cb -0.07 -3.69 -0.10 0.00 -1.58 0.00 0.00 42.46 37.03 2kc0 s ILE 198 CO 0.40 0.19 1.00 -0.54 -1.23 0.00 0.00 174.94 174.75 2kc0 s LYS 199 N -0.54 4.46 0.00 2.79 1.02 -1.15 -4.97 119.74 121.35 2kc0 s LYS 199 Ca 0.53 1.44 0.00 0.00 0.02 0.00 0.00 55.97 57.97 2kc0 s LYS 199 Cb -0.36 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 2kc0 s LYS 199 CO 0.40 0.14 0.65 -0.35 -0.92 0.00 0.00 175.35 175.27 2kc0 n PRO 200 N 0.44 0.93 -0.89 -1.68 -0.04 -1.26 -4.47 135.00 128.03 2kc0 n PRO 200 Ca 0.03 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 2kc0 n PRO 200 Cb 0.49 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 2kc0 n PRO 200 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kc0 n ASP 201 N 0.23 5.90 -1.72 3.54 8.00 -1.26 -4.84 116.55 126.40 2kc0 n ASP 201 Ca 0.00 -2.78 -0.00 0.00 0.71 0.00 0.00 54.79 52.72 2kc0 n ASP 201 Cb 0.32 -1.17 -0.00 0.00 -0.02 0.00 0.00 41.12 40.25 2kc0 n ASP 201 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kc0 n GLY 202 N 1.18 1.69 0.10 0.44 0.00 -1.26 -4.44 105.19 102.90 2kc0 n GLY 202 Ca 0.26 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.41 2kc0 n GLY 202 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kc0 n LYS 203 N 1.74 0.79 0.00 1.61 2.85 -1.26 -4.54 118.16 119.35 2kc0 n LYS 203 Ca 0.01 -0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 2kc0 n LYS 203 Cb 0.30 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 2kc0 n LYS 203 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2kc0 n ARG 204 N -0.93 0.00 -3.20 -1.58 5.12 -1.26 -5.17 116.66 109.64 2kc0 n ARG 204 Ca 0.17 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.01 2kc0 n ARG 204 Cb 0.24 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.55 2kc0 n ARG 204 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2kc0 n HIS 205 N -1.56 -1.97 -3.11 -1.55 1.44 -1.26 -3.63 115.22 103.58 2kc0 n HIS 205 Ca 0.00 -1.50 -0.18 0.00 -2.01 0.00 0.00 57.72 54.03 2kc0 n HIS 205 Cb 0.00 0.69 0.05 0.00 0.12 0.00 0.00 29.99 30.85 2kc0 n HIS 205 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kc0 n ALA 206 N -1.11 1.07 -3.11 1.59 0.00 -1.26 -4.17 120.51 113.52 2kc0 n ALA 206 Ca -0.13 -1.87 -0.12 0.00 0.00 0.00 0.00 53.44 51.33 2kc0 n ALA 206 Cb 0.46 0.53 -0.05 0.00 0.00 0.00 0.00 19.45 20.39 2kc0 n ALA 206 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kc0 s VAL 207 N -2.21 0.06 -0.18 0.00 -7.23 -1.26 -4.80 120.40 104.77 2kc0 s VAL 207 Ca 0.52 -0.47 -0.05 0.00 -1.81 0.00 0.00 61.98 60.17 2kc0 s VAL 207 Cb -0.04 -1.06 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 2kc0 s VAL 207 CO 0.33 -0.26 0.00 -0.63 -0.31 0.00 0.00 175.10 174.23 2kc0 s ILE 208 N -3.15 4.14 -0.11 -0.62 -1.09 0.09 -2.94 121.20 117.52 2kc0 s ILE 208 Ca -0.01 -0.26 -0.03 0.00 -2.23 0.00 0.00 60.65 58.12 2kc0 s ILE 208 Cb 0.00 -2.85 0.04 0.00 -1.58 0.00 0.00 42.46 38.08 2kc0 s ILE 208 CO -0.07 0.46 0.06 -0.55 -1.23 0.00 0.00 174.94 173.60 2kc0 s SER 209 N 0.63 1.91 0.00 3.58 0.15 -1.25 -1.93 113.70 116.78 2kc0 s SER 209 Ca -0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2kc0 s SER 209 Cb -0.14 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 2kc0 s SER 209 CO 0.02 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2kc0 n GLY 210 N 5.23 4.29 3.51 9.45 0.00 -0.38 -4.72 105.19 122.57 2kc0 n GLY 210 Ca -0.06 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 2kc0 n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kc0 s SER 211 N -0.44 3.99 -0.05 1.61 0.01 -1.26 -1.92 113.70 115.64 2kc0 s SER 211 Ca 0.00 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 2kc0 s SER 211 Cb 0.00 -0.60 0.04 0.00 0.21 0.00 0.00 66.02 65.67 2kc0 s SER 211 CO 0.00 0.17 0.10 -0.69 0.41 0.00 0.00 173.24 173.22 2kc0 s VAL 212 N -1.25 -0.07 0.69 3.43 1.01 -1.08 -1.93 120.40 121.19 2kc0 s VAL 212 Ca 0.19 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 2kc0 s VAL 212 Cb -0.10 -0.17 0.16 0.00 0.00 0.00 0.00 36.38 36.26 2kc0 s VAL 212 CO 0.11 0.09 0.86 0.18 0.00 0.00 0.00 175.10 176.34 2kc0 n LEU 213 N 4.30 0.00 -3.68 3.92 4.77 -1.26 -0.49 117.00 124.57 2kc0 n LEU 213 Ca -0.25 -0.93 -0.11 0.00 -0.03 0.00 0.00 56.01 54.68 2kc0 n LEU 213 Cb 0.51 -0.68 -0.12 0.00 -2.33 0.00 0.00 43.42 40.80 2kc0 n LEU 213 CO 0.18 -1.26 -0.05 -0.47 -1.33 0.00 0.00 177.39 174.46 2kc0 s TYR 214 N -2.81 -0.55 -1.53 -1.77 5.04 -0.19 -4.63 117.35 110.91 2kc0 s TYR 214 Ca 0.50 1.17 -0.13 0.00 -2.44 0.00 0.00 57.07 56.16 2kc0 s TYR 214 Cb -0.02 0.13 0.08 0.00 0.35 0.00 0.00 41.96 42.51 2kc0 s TYR 214 CO 0.35 -0.37 0.94 -1.71 -1.34 0.00 0.00 175.55 173.42 2kc0 n ASN 215 N 5.00 -4.38 -4.12 4.32 5.15 -1.26 -1.04 115.26 118.93 2kc0 n ASN 215 Ca -0.13 -0.80 -0.31 0.00 -0.60 0.00 0.00 54.58 52.73 2kc0 n ASN 215 Cb 0.51 -3.80 -0.03 0.00 -0.53 0.00 0.00 39.78 35.93 2kc0 n ASN 215 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kc0 n GLN 216 N -4.64 -3.05 0.00 1.20 1.13 -1.26 -4.90 117.38 105.86 2kc0 n GLN 216 Ca 0.01 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.44 2kc0 n GLN 216 Cb 0.54 -4.75 0.00 0.00 0.11 0.00 0.00 30.24 26.13 2kc0 n GLN 216 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kc0 n ALA 217 N -4.41 0.00 -0.97 -1.58 0.00 -0.21 -5.17 120.51 108.17 2kc0 n ALA 217 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.36 2kc0 n ALA 217 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 2kc0 n ALA 217 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kc0 n GLU 218 N 0.00 -0.42 -3.23 0.00 4.07 -1.25 -1.02 120.64 118.78 2kc0 n GLU 218 Ca 0.00 0.28 -0.03 0.00 -0.06 0.00 0.00 57.16 57.35 2kc0 n GLU 218 Cb 0.00 -0.51 -0.03 0.00 -0.06 0.00 0.00 31.44 30.83 2kc0 n GLU 218 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2kc0 s LYS 219 N -0.33 0.48 0.15 5.31 2.20 -1.26 -4.61 119.74 121.67 2kc0 s LYS 219 Ca 0.00 0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.99 2kc0 s LYS 219 Cb 0.00 -0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.30 2kc0 s LYS 219 CO 0.00 -1.01 0.11 0.41 -0.36 0.00 0.00 175.35 174.50 2kc0 n GLY 220 N 5.39 2.92 3.30 5.54 0.00 0.35 -3.79 105.19 118.90 2kc0 n GLY 220 Ca 0.02 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 2kc0 n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 221 N -1.86 -0.27 0.02 1.61 1.04 0.01 -2.64 113.70 111.61 2kc0 s SER 221 Ca 0.09 0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.59 2kc0 s SER 221 Cb -0.01 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 2kc0 s SER 221 CO 0.05 -0.57 -0.02 -0.72 0.98 0.00 0.00 173.24 172.96 2kc0 s TYR 222 N -1.93 0.25 -0.09 5.02 1.13 -0.81 -1.42 117.35 119.49 2kc0 s TYR 222 Ca -0.09 -0.50 -0.08 0.00 -1.41 0.00 0.00 57.07 54.99 2kc0 s TYR 222 Cb -0.02 -0.18 0.03 0.00 -1.10 0.00 0.00 41.96 40.68 2kc0 s TYR 222 CO 0.01 -0.19 0.25 0.45 -2.51 0.00 0.00 175.55 173.56 2kc0 s SER 223 N -1.43 -0.26 0.27 -0.18 0.15 -0.35 -1.25 113.70 110.64 2kc0 s SER 223 Ca -0.16 0.50 -0.19 0.00 0.70 0.00 0.00 55.95 56.80 2kc0 s SER 223 Cb -0.10 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 2kc0 s SER 223 CO -0.01 -0.10 0.66 -1.48 1.20 0.00 0.00 173.24 173.52 2kc0 s LEU 224 N 0.32 -0.15 0.23 3.45 0.05 -0.81 -1.17 118.68 120.60 2kc0 s LEU 224 Ca -0.02 -0.65 -0.02 0.00 0.05 0.00 0.00 54.13 53.49 2kc0 s LEU 224 Cb -0.03 2.52 -0.03 0.00 -2.05 0.00 0.00 46.19 46.60 2kc0 s LEU 224 CO -0.01 -1.29 0.23 -0.83 -0.55 0.00 0.00 176.35 173.89 2kc0 s GLY 225 N -2.93 1.38 0.09 -3.48 0.00 -0.59 -0.73 107.32 101.07 2kc0 s GLY 225 Ca 0.13 -1.59 -0.25 0.00 0.00 0.00 0.00 44.72 43.01 2kc0 s GLY 225 CO 0.06 -1.25 0.76 -0.42 0.00 0.00 0.00 173.10 172.25 2kc0 s ILE 226 N -4.00 4.59 0.12 0.90 -1.09 -1.26 -2.51 121.20 117.94 2kc0 s ILE 226 Ca 0.36 1.63 0.09 0.00 -2.23 0.00 0.00 60.65 60.49 2kc0 s ILE 226 Cb 0.05 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 2kc0 s ILE 226 CO 0.14 0.44 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.71 2kc0 s PHE 227 N -0.55 1.87 0.07 3.97 0.40 -0.38 -4.75 117.98 118.61 2kc0 s PHE 227 Ca 0.37 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 2kc0 s PHE 227 Cb -0.21 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.31 2kc0 s PHE 227 CO 0.24 0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.82 2kc0 n GLY 228 N 0.93 -1.67 0.17 4.36 0.00 -0.67 -3.22 105.19 105.08 2kc0 n GLY 228 Ca -0.18 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2kc0 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kc0 n GLY 229 N -2.11 -0.05 1.44 -0.02 0.00 -1.26 -4.35 105.19 98.84 2kc0 n GLY 229 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kc0 n GLY 229 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kc0 n LYS 230 N -0.22 0.00 -0.70 1.61 4.81 -1.26 -5.06 118.16 117.35 2kc0 n LYS 230 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 2kc0 n LYS 230 Cb 0.02 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.04 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kc0 n ALA 231 N -2.18 1.88 -0.01 3.14 0.00 -1.26 -4.87 120.51 117.22 2kc0 n ALA 231 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 2kc0 n ALA 231 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 2kc0 n ALA 231 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kc0 h GLN 232 N 0.00 0.73 -4.09 0.00 4.20 -1.86 -3.42 115.11 110.67 2kc0 h GLN 232 Ca -0.28 -0.61 -0.13 0.00 0.06 0.00 0.00 58.65 57.70 2kc0 h GLN 232 Cb 0.99 0.13 -0.14 0.00 0.30 0.00 0.00 27.48 28.76 2kc0 h GLN 232 CO -0.14 1.22 -0.49 -1.83 -0.67 0.00 0.00 178.83 176.91 2kc0 s GLU 233 N -3.72 0.92 -0.01 1.46 1.03 -1.24 -0.45 118.70 116.68 2kc0 s GLU 233 Ca -0.10 -1.21 0.02 0.00 0.03 0.00 0.00 54.97 53.72 2kc0 s GLU 233 Cb 0.09 0.30 -0.00 0.00 -0.80 0.00 0.00 34.13 33.71 2kc0 s GLU 233 CO 0.90 -0.28 -0.08 0.14 -1.33 0.00 0.00 175.26 174.60 2kc0 s VAL 234 N -3.96 0.68 0.09 1.83 -7.23 -0.01 -1.25 120.40 110.55 2kc0 s VAL 234 Ca 0.15 -0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 59.85 2kc0 s VAL 234 Cb 0.06 -0.59 0.01 0.00 0.56 0.00 0.00 36.38 36.43 2kc0 s VAL 234 CO -0.04 0.20 0.28 0.00 -0.31 0.00 0.00 175.10 175.23 2kc0 s ALA 235 N -0.04 -0.54 0.00 1.32 0.00 -1.04 -1.41 121.76 120.05 2kc0 s ALA 235 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2kc0 s ALA 235 Cb -0.05 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2kc0 s ALA 235 CO -0.00 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2kc0 n GLY 236 N 0.06 -0.66 3.27 0.00 0.00 -1.21 -1.54 105.19 105.11 2kc0 n GLY 236 Ca -0.16 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 2kc0 n GLY 236 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 237 N -4.00 -0.15 -0.03 1.61 1.04 -0.32 -1.85 113.70 110.00 2kc0 s SER 237 Ca 0.00 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.24 2kc0 s SER 237 Cb 0.00 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2kc0 s SER 237 CO 0.00 -0.66 -0.04 0.00 0.98 0.00 0.00 173.24 173.52 2kc0 s ALA 238 N -2.76 0.59 -0.05 5.32 0.00 -0.42 -1.21 121.76 123.23 2kc0 s ALA 238 Ca -0.04 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 51.90 2kc0 s ALA 238 Cb -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 2kc0 s ALA 238 CO -0.05 0.03 -0.21 -1.21 0.00 0.00 0.00 175.76 174.32 2kc0 s GLU 239 N 0.63 2.51 -0.01 0.00 8.01 -0.51 -0.56 118.70 128.76 2kc0 s GLU 239 Ca -0.08 -0.83 0.02 0.00 0.01 0.00 0.00 54.97 54.09 2kc0 s GLU 239 Cb -0.11 -2.24 -0.00 0.00 -4.31 0.00 0.00 34.13 27.46 2kc0 s GLU 239 CO -0.00 0.48 -0.06 0.54 0.01 0.00 0.00 175.26 176.23 2kc0 s VAL 240 N -0.39 0.52 0.26 2.63 0.11 -0.41 -0.81 120.40 122.31 2kc0 s VAL 240 Ca 0.04 -0.25 -0.15 0.00 -2.93 0.00 0.00 61.98 58.68 2kc0 s VAL 240 Cb -0.12 -0.46 -0.08 0.00 -1.53 0.00 0.00 36.38 34.19 2kc0 s VAL 240 CO 0.02 0.16 0.67 -0.54 -3.33 0.00 0.00 175.10 172.08 2kc0 s LYS 241 N 0.04 4.01 0.16 1.54 1.02 -1.25 -1.00 119.74 124.26 2kc0 s LYS 241 Ca -0.00 0.61 -0.01 0.00 0.02 0.00 0.00 55.97 56.59 2kc0 s LYS 241 Cb -0.05 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 2kc0 s LYS 241 CO -0.00 0.29 0.08 -0.08 -0.92 0.00 0.00 175.35 174.71 2kc0 s THR 242 N -1.78 0.09 0.46 2.17 -1.32 0.06 -4.58 115.64 110.74 2kc0 s THR 242 Ca 0.48 -1.94 0.23 0.00 -1.21 0.00 0.00 61.69 59.25 2kc0 s THR 242 Cb -0.12 -2.21 0.43 0.00 -1.51 0.00 0.00 72.50 69.09 2kc0 s THR 242 CO 0.19 -0.30 1.83 0.58 -2.21 0.00 0.00 174.62 174.71 2kc0 h VAL 243 N 2.77 0.57 -0.17 5.08 2.07 -2.00 -0.10 116.25 124.48 2kc0 h VAL 243 Ca -0.35 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2kc0 h VAL 243 Cb 1.22 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2kc0 h VAL 243 CO 0.57 0.05 0.00 0.59 0.02 0.00 0.00 177.57 178.80 2kc0 n ASN 244 N -4.45 1.09 0.00 0.57 3.02 -1.26 -5.01 115.26 109.23 2kc0 n ASN 244 Ca 0.21 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 2kc0 n ASN 244 Cb 0.87 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 2kc0 n ASN 244 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kc0 n GLY 245 N 0.70 1.06 3.29 7.41 0.00 -0.05 -5.00 105.19 112.60 2kc0 n GLY 245 Ca 0.06 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 2kc0 n GLY 245 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kc0 s ILE 246 N 0.00 1.50 -0.02 -0.61 1.10 -1.26 -0.76 121.20 121.15 2kc0 s ILE 246 Ca 0.00 -2.00 0.01 0.00 -0.51 0.00 0.00 60.65 58.15 2kc0 s ILE 246 Cb 0.00 -1.82 0.01 0.00 0.15 0.00 0.00 42.46 40.80 2kc0 s ILE 246 CO 0.00 -0.54 -0.01 -0.13 -2.11 0.00 0.00 174.94 172.14 2kc0 s ARG 247 N -3.28 0.29 -0.08 3.50 1.81 -0.17 -4.88 118.95 116.15 2kc0 s ARG 247 Ca 0.16 -0.01 -0.04 0.00 -1.72 0.00 0.00 55.73 54.13 2kc0 s ARG 247 Cb -0.02 -0.39 -0.04 0.00 -0.45 0.00 0.00 34.95 34.06 2kc0 s ARG 247 CO 0.04 -0.05 0.08 -1.01 -0.68 0.00 0.00 175.30 173.69 2kc0 s HIS 248 N 0.56 3.39 -0.03 -0.53 3.76 -1.26 -1.29 115.29 119.88 2kc0 s HIS 248 Ca -0.06 0.35 0.02 0.00 -0.15 0.00 0.00 55.06 55.23 2kc0 s HIS 248 Cb -0.09 -1.85 0.01 0.00 1.11 0.00 0.00 32.58 31.76 2kc0 s HIS 248 CO -0.01 0.61 -0.10 0.42 -0.85 0.00 0.00 174.74 174.81 2kc0 s ILE 249 N -1.02 0.84 0.20 0.60 -1.09 0.27 -4.18 121.20 116.82 2kc0 s ILE 249 Ca 0.16 -0.38 -0.17 0.00 -2.23 0.00 0.00 60.65 58.04 2kc0 s ILE 249 Cb -0.12 -0.76 -0.08 0.00 -1.58 0.00 0.00 42.46 39.93 2kc0 s ILE 249 CO 0.06 0.27 0.65 -0.83 -1.23 0.00 0.00 174.94 173.85 2kc0 s GLY 250 N 0.30 2.52 -0.08 6.18 0.00 -0.43 -1.31 107.32 114.50 2kc0 s GLY 250 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.69 2kc0 s GLY 250 CO 0.01 0.33 -0.06 1.08 0.00 0.00 0.00 173.10 174.46 2kc0 s LEU 251 N -2.08 3.22 -0.24 0.66 2.01 -0.77 -3.21 118.68 118.26 2kc0 s LEU 251 Ca 0.42 -0.01 -0.09 0.00 0.01 0.00 0.00 54.13 54.46 2kc0 s LEU 251 Cb -0.15 -1.71 0.10 0.00 0.01 0.00 0.00 46.19 44.44 2kc0 s LEU 251 CO 0.20 0.35 0.53 0.00 1.01 0.00 0.00 176.35 178.43 2kc0 s ALA 252 N -0.73 -1.54 0.05 4.21 0.00 -1.10 -3.36 121.76 119.29 2kc0 s ALA 252 Ca 0.11 1.89 -0.09 0.00 0.00 0.00 0.00 51.96 53.87 2kc0 s ALA 252 Cb -0.11 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2kc0 s ALA 252 CO 0.02 -0.77 0.19 0.00 0.00 0.00 0.00 175.76 175.20 2kc0 s ALA 253 N 2.59 -0.33 0.02 0.00 0.00 -0.50 -0.57 121.76 122.97 2kc0 s ALA 253 Ca -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 2kc0 s ALA 253 Cb -0.11 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 2kc0 s ALA 253 CO -0.16 -0.40 0.02 0.21 0.00 0.00 0.00 175.76 175.44 2kc0 s LYS 254 N -2.90 0.42 0.00 0.00 2.20 -1.25 -0.83 119.74 117.38 2kc0 s LYS 254 Ca -0.02 -0.65 0.05 0.00 -0.36 0.00 0.00 55.97 54.98 2kc0 s LYS 254 Cb 0.00 0.16 0.30 0.00 -1.51 0.00 0.00 37.83 36.78 2kc0 s LYS 254 CO -0.06 -0.08 0.77 0.00 -0.36 0.00 0.00 175.35 175.62