#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 -0.17 0.36 0.00 0.00 -1.26 -3.04 105.19 101.08 2kc0 n GLY 15 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2kc0 n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kc0 h LEU 16 N 0.00 0.79 -1.11 0.99 3.38 -1.96 -1.41 115.31 116.00 2kc0 h LEU 16 Ca 0.00 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2kc0 h LEU 16 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2kc0 h LEU 16 CO 0.00 0.50 -0.15 0.00 0.09 0.00 0.00 178.44 178.88 2kc0 h ALA 17 N 1.55 1.26 0.29 1.53 0.00 -1.74 -1.86 119.26 120.29 2kc0 h ALA 17 Ca 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kc0 h ALA 17 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kc0 h ALA 17 CO -0.14 0.49 -0.14 0.22 0.00 0.00 0.00 179.25 179.67 2kc0 h ASP 18 N 0.41 -0.33 -0.11 0.00 3.58 -1.78 -3.37 116.42 114.82 2kc0 h ASP 18 Ca 0.08 -0.17 0.03 0.00 0.42 0.00 0.00 57.03 57.38 2kc0 h ASP 18 Cb 0.50 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 2kc0 h ASP 18 CO 0.03 0.14 0.09 0.00 -2.88 0.00 0.00 179.24 176.62 2kc0 h ALA 19 N -0.65 1.99 0.00 -0.78 0.00 -1.05 0.14 119.26 118.91 2kc0 h ALA 19 Ca -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kc0 h ALA 19 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kc0 h ALA 19 CO 0.07 -0.14 -0.19 -0.07 0.00 0.00 0.00 179.25 178.91 2kc0 h LEU 20 N 0.00 0.00 0.00 0.00 -0.00 -1.53 -3.38 115.31 110.41 2kc0 h LEU 20 Ca 0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 57.88 57.55 2kc0 h LEU 20 Cb 0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.81 2kc0 h LEU 20 CO -0.00 0.19 -2.44 0.35 -0.00 0.00 0.00 178.44 176.54 2kc0 n THR 21 N -3.16 1.46 -4.02 0.22 -2.24 -0.12 -4.81 114.28 101.61 2kc0 n THR 21 Ca 0.03 -0.66 -0.08 0.00 -2.27 0.00 0.00 64.05 61.07 2kc0 n THR 21 Cb 0.59 -1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.51 0.28 0.92 6.98 0.00 -0.29 -5.13 121.76 122.01 2kc0 s ALA 22 Ca -0.27 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 2kc0 s ALA 22 Cb 0.08 0.22 0.14 0.00 0.00 0.00 0.00 23.12 23.57 2kc0 s ALA 22 CO 0.68 -0.28 1.09 -1.25 0.00 0.00 0.00 175.76 176.00 2kc0 s PRO 23 N -2.77 1.04 0.01 0.00 0.04 -1.26 -3.78 135.00 128.27 2kc0 s PRO 23 Ca -0.04 0.94 -0.18 0.00 0.04 0.00 0.00 61.00 61.76 2kc0 s PRO 23 Cb -0.00 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.79 2kc0 s PRO 23 CO -0.06 -2.42 0.39 -0.48 0.04 0.00 0.00 177.00 174.47 2kc0 s LEU 24 N -6.36 0.50 0.63 -3.56 2.34 -1.26 -4.91 118.68 106.06 2kc0 s LEU 24 Ca 0.64 0.11 0.00 0.00 0.06 0.00 0.00 54.13 54.95 2kc0 s LEU 24 Cb -0.19 1.60 0.00 0.00 -0.56 0.00 0.00 46.19 47.04 2kc0 s LEU 24 CO 0.58 -0.56 0.00 0.47 -1.06 0.00 0.00 176.35 175.78 2kc0 n ASP 25 N 0.90 -7.84 0.00 1.48 8.00 -1.26 -4.26 116.55 113.57 2kc0 n ASP 25 Ca -0.20 1.48 0.00 0.00 0.71 0.00 0.00 54.79 56.78 2kc0 n ASP 25 Cb 0.58 -4.99 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 2kc0 n ASP 25 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kc0 n HIS 26 N -4.33 0.00 -0.00 1.24 -0.00 -1.26 -4.95 115.22 105.91 2kc0 n HIS 26 Ca -0.10 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.09 2kc0 n HIS 26 Cb 0.69 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.54 2kc0 n HIS 26 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kc0 n LYS 27 N -0.31 0.80 0.00 1.57 4.76 -1.26 -5.11 118.16 118.60 2kc0 n LYS 27 Ca 0.00 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2kc0 n LYS 27 Cb 0.02 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 2kc0 n LYS 27 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2kc0 n ASP 28 N -1.68 -1.32 0.00 4.39 2.03 -1.26 -4.89 116.55 113.81 2kc0 n ASP 28 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2kc0 n ASP 28 Cb 0.16 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 2kc0 n ASP 28 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kc0 n LYS 29 N -0.21 2.43 0.00 -0.67 4.76 -1.26 -5.06 118.16 118.15 2kc0 n LYS 29 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kc0 n LYS 29 Cb 0.00 -0.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kc0 n GLY 30 N 0.74 2.09 2.85 0.72 0.00 -1.05 -4.71 105.19 105.84 2kc0 n GLY 30 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 2kc0 n GLY 30 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kc0 s LEU 31 N 0.00 1.28 0.00 0.99 2.34 -1.26 -4.97 118.68 117.06 2kc0 s LEU 31 Ca 0.00 -0.07 0.01 0.00 0.06 0.00 0.00 54.13 54.13 2kc0 s LEU 31 Cb 0.00 -0.31 0.08 0.00 -0.56 0.00 0.00 46.19 45.40 2kc0 s LEU 31 CO 0.00 -0.07 0.72 0.00 -1.06 0.00 0.00 176.35 175.94 2kc0 n GLN 32 N 4.04 0.66 -3.93 1.48 6.02 -1.26 -4.80 117.38 119.59 2kc0 n GLN 32 Ca -0.26 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.64 2kc0 n GLN 32 Cb 0.51 -1.03 -0.08 0.00 1.02 0.00 0.00 30.24 30.66 2kc0 n GLN 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kc0 s SER 33 N -1.38 0.16 -0.15 1.08 0.15 -1.26 -0.64 113.70 111.66 2kc0 s SER 33 Ca 0.02 -0.78 0.02 0.00 0.70 0.00 0.00 55.95 55.91 2kc0 s SER 33 Cb 0.01 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.67 2kc0 s SER 33 CO 0.02 -0.75 -0.21 -0.22 1.20 0.00 0.00 173.24 173.28 2kc0 s LEU 34 N -2.90 2.18 -0.21 3.45 1.98 -0.49 -4.81 118.68 117.88 2kc0 s LEU 34 Ca 0.09 -0.59 -0.09 0.00 -2.89 0.00 0.00 54.13 50.65 2kc0 s LEU 34 Cb 0.05 -1.47 -0.05 0.00 0.66 0.00 0.00 46.19 45.39 2kc0 s LEU 34 CO -0.08 0.07 0.11 0.28 -1.89 0.00 0.00 176.35 174.85 2kc0 s THR 35 N 0.88 5.11 -0.67 3.68 -1.32 -1.26 -1.08 115.64 120.98 2kc0 s THR 35 Ca -0.05 0.09 0.01 0.00 -1.21 0.00 0.00 61.69 60.52 2kc0 s THR 35 Cb -0.15 -3.34 0.39 0.00 -1.51 0.00 0.00 72.50 67.89 2kc0 s THR 35 CO -0.03 0.41 1.71 0.18 -2.21 0.00 0.00 174.62 174.68 2kc0 n LEU 36 N 3.85 6.58 0.00 9.08 4.32 0.02 -4.73 117.00 136.13 2kc0 n LEU 36 Ca -0.16 -4.87 0.06 0.00 -0.02 0.00 0.00 56.01 51.02 2kc0 n LEU 36 Cb 0.52 -0.84 0.29 0.00 -1.62 0.00 0.00 43.42 41.77 2kc0 n LEU 36 CO 0.35 1.88 0.69 0.47 -1.22 0.00 0.00 177.39 179.57 2kc0 n ASP 37 N -0.58 0.00 0.00 -1.43 8.00 -1.26 -3.85 116.55 117.43 2kc0 n ASP 37 Ca 0.50 0.36 0.00 0.00 0.71 0.00 0.00 54.79 56.36 2kc0 n ASP 37 Cb 0.46 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2kc0 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kc0 n GLN 38 N -1.43 0.21 -0.09 -1.24 -0.00 -1.26 -4.91 117.38 108.66 2kc0 n GLN 38 Ca 0.04 -0.48 -0.22 0.00 -0.00 0.00 0.00 57.00 56.33 2kc0 n GLN 38 Cb 0.13 -0.55 -0.12 0.00 -0.00 0.00 0.00 30.24 29.70 2kc0 n GLN 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2kc0 n SER 39 N -0.04 2.00 -4.29 2.61 3.41 -1.25 -4.95 113.62 111.10 2kc0 n SER 39 Ca 0.00 0.17 -0.25 0.00 -0.26 0.00 0.00 58.87 58.53 2kc0 n SER 39 Cb 0.43 -0.74 -0.13 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.50 1.78 0.85 -3.33 0.11 -1.26 -5.15 120.40 110.91 2kc0 s VAL 40 Ca -0.31 -1.50 -0.14 0.00 -2.93 0.00 0.00 61.98 57.10 2kc0 s VAL 40 Cb 0.09 -1.60 0.02 0.00 -1.53 0.00 0.00 36.38 33.36 2kc0 s VAL 40 CO 0.63 0.02 0.58 0.54 -3.33 0.00 0.00 175.10 173.54 2kc0 n ARG 41 N 1.22 -0.02 0.00 1.54 3.00 -1.26 -4.74 116.66 116.40 2kc0 n ARG 41 Ca -0.19 0.05 0.01 0.00 -0.01 0.00 0.00 57.85 57.71 2kc0 n ARG 41 Cb 0.53 -1.95 0.08 0.00 0.00 0.00 0.00 32.46 31.13 2kc0 n ARG 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2kc0 n LYS 42 N -1.65 0.36 0.00 5.56 5.02 -1.26 -2.73 118.16 123.45 2kc0 n LYS 42 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2kc0 n LYS 42 Cb 0.52 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 2kc0 n LYS 42 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kc0 n ASN 43 N -0.62 2.44 -4.94 4.39 3.02 -1.26 -4.72 115.26 113.57 2kc0 n ASN 43 Ca 0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.33 2kc0 n ASN 43 Cb 0.01 0.12 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 2kc0 n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kc0 s GLU 44 N -1.55 2.87 0.04 3.52 2.02 -1.11 -4.89 118.70 119.61 2kc0 s GLU 44 Ca 0.00 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.67 2kc0 s GLU 44 Cb 0.00 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 2kc0 s GLU 44 CO 0.00 -0.56 0.02 0.15 0.02 0.00 0.00 175.26 174.89 2kc0 s LYS 45 N -4.79 2.73 0.00 1.61 1.02 0.42 -4.07 119.74 116.65 2kc0 s LYS 45 Ca 0.52 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.83 2kc0 s LYS 45 Cb -0.10 -2.64 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 2kc0 s LYS 45 CO 0.41 0.59 -0.04 -1.17 -0.92 0.00 0.00 175.35 174.22 2kc0 s LEU 46 N -1.95 2.04 -0.10 3.17 0.20 -0.19 -0.59 118.68 121.25 2kc0 s LEU 46 Ca 0.23 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 54.95 2kc0 s LEU 46 Cb -0.12 -0.17 0.01 0.00 -0.43 0.00 0.00 46.19 45.48 2kc0 s LEU 46 CO 0.15 0.01 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.49 2kc0 s LYS 47 N -0.28 2.49 0.17 1.98 1.02 0.19 -0.70 119.74 124.61 2kc0 s LYS 47 Ca -0.00 -0.67 0.03 0.00 0.02 0.00 0.00 55.97 55.35 2kc0 s LYS 47 Cb -0.03 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2kc0 s LYS 47 CO -0.00 0.05 0.27 -0.51 -0.92 0.00 0.00 175.35 174.23 2kc0 s LEU 48 N 0.67 4.23 -0.25 3.17 2.01 -0.14 -1.11 118.68 127.26 2kc0 s LEU 48 Ca -0.13 0.09 -0.20 0.00 0.01 0.00 0.00 54.13 53.90 2kc0 s LEU 48 Cb -0.16 -2.80 0.07 0.00 0.01 0.00 0.00 46.19 43.31 2kc0 s LEU 48 CO 0.03 0.03 0.64 0.00 1.01 0.00 0.00 176.35 178.07 2kc0 s ALA 49 N -1.79 -1.62 -0.20 4.21 0.00 -0.64 -0.92 121.76 120.81 2kc0 s ALA 49 Ca 0.34 1.93 -0.27 0.00 0.00 0.00 0.00 51.96 53.95 2kc0 s ALA 49 Cb -0.10 -1.13 0.07 0.00 0.00 0.00 0.00 23.12 21.96 2kc0 s ALA 49 CO 0.28 -0.32 0.72 0.00 0.00 0.00 0.00 175.76 176.44 2kc0 s ALA 50 N 0.66 -1.79 -1.57 0.00 0.00 -0.32 -1.64 121.76 117.10 2kc0 s ALA 50 Ca -0.03 1.79 -0.13 0.00 0.00 0.00 0.00 51.96 53.59 2kc0 s ALA 50 Cb -0.05 -0.80 0.10 0.00 0.00 0.00 0.00 23.12 22.37 2kc0 s ALA 50 CO -0.04 -0.35 0.80 0.94 0.00 0.00 0.00 175.76 177.11 2kc0 n GLN 51 N 2.07 -4.14 -0.62 0.00 7.27 -1.26 -1.53 117.38 119.16 2kc0 n GLN 51 Ca -0.16 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.39 2kc0 n GLN 51 Cb 0.56 -5.15 0.00 0.00 2.41 0.00 0.00 30.24 28.05 2kc0 n GLN 51 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kc0 n GLY 52 N -1.61 1.38 3.89 1.69 0.00 -1.26 -4.51 105.19 104.78 2kc0 n GLY 52 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.48 3.78 0.00 4.61 0.00 -0.58 -5.08 121.76 121.02 2kc0 s ALA 53 Ca 0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 2kc0 s ALA 53 Cb 0.00 -1.56 0.03 0.00 0.00 0.00 0.00 23.12 21.59 2kc0 s ALA 53 CO 0.00 0.39 0.36 -1.83 0.00 0.00 0.00 175.76 174.69 2kc0 s GLU 54 N -3.52 0.78 -0.00 0.00 -1.05 -1.26 -1.17 118.70 112.47 2kc0 s GLU 54 Ca 0.33 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 2kc0 s GLU 54 Cb -0.10 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 2kc0 s GLU 54 CO 0.27 -0.24 -0.00 0.21 0.95 0.00 0.00 175.26 176.45 2kc0 s LYS 55 N -1.74 0.05 -0.11 -4.83 2.47 -0.09 -4.88 119.74 110.61 2kc0 s LYS 55 Ca -0.10 -0.01 -0.16 0.00 -1.56 0.00 0.00 55.97 54.13 2kc0 s LYS 55 Cb -0.03 -0.07 -0.05 0.00 -1.46 0.00 0.00 37.83 36.23 2kc0 s LYS 55 CO 0.02 0.00 0.41 0.95 0.16 0.00 0.00 175.35 176.90 2kc0 s THR 56 N 0.05 5.19 0.20 3.43 -4.23 -1.26 -0.97 115.64 118.05 2kc0 s THR 56 Ca -0.00 0.82 0.02 0.00 -1.18 0.00 0.00 61.69 61.35 2kc0 s THR 56 Cb -0.01 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 2kc0 s THR 56 CO -0.00 0.39 0.02 -0.31 -0.54 0.00 0.00 174.62 174.18 2kc0 s TYR 57 N 0.25 1.36 -0.27 3.99 2.02 0.12 -5.00 117.35 119.82 2kc0 s TYR 57 Ca 0.23 -1.03 -0.27 0.00 -0.37 0.00 0.00 57.07 55.63 2kc0 s TYR 57 Cb -0.15 -0.78 0.18 0.00 -0.40 0.00 0.00 41.96 40.81 2kc0 s TYR 57 CO 0.09 -0.20 1.31 0.20 -1.57 0.00 0.00 175.55 175.39 2kc0 s GLY 58 N -3.23 0.13 -0.95 0.71 0.00 -1.26 -1.02 107.32 101.70 2kc0 s GLY 58 Ca 0.28 3.01 -0.11 0.00 0.00 0.00 0.00 44.72 47.90 2kc0 s GLY 58 CO 0.07 1.53 0.65 -2.01 0.00 0.00 0.00 173.10 173.34 2kc0 n ASN 59 N 1.19 -4.99 -0.87 1.64 5.15 -1.23 -4.73 115.26 111.41 2kc0 n ASN 59 Ca -0.07 -0.98 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 2kc0 n ASN 59 Cb 0.58 -2.17 0.00 0.00 -0.53 0.00 0.00 39.78 37.66 2kc0 n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kc0 n GLY 60 N -1.78 -3.63 3.19 8.20 0.00 -1.26 -5.03 105.19 104.89 2kc0 n GLY 60 Ca -0.22 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 2kc0 n GLY 60 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kc0 s ASP 61 N -0.07 0.18 -0.30 1.61 1.47 -1.26 -4.97 116.67 113.33 2kc0 s ASP 61 Ca 0.00 -1.35 0.01 0.00 1.18 0.00 0.00 52.55 52.40 2kc0 s ASP 61 Cb 0.00 0.36 0.09 0.00 -0.34 0.00 0.00 42.92 43.03 2kc0 s ASP 61 CO 0.00 -0.82 0.04 -0.94 0.68 0.00 0.00 175.17 174.14 2kc0 s SER 62 N -3.13 4.26 -0.52 2.11 1.04 -1.26 -0.80 113.70 115.40 2kc0 s SER 62 Ca 0.36 -1.72 -0.28 0.00 0.48 0.00 0.00 55.95 54.78 2kc0 s SER 62 Cb 0.07 -1.22 0.02 0.00 0.10 0.00 0.00 66.02 64.98 2kc0 s SER 62 CO 0.10 -0.36 1.34 -0.22 0.98 0.00 0.00 173.24 175.08 2kc0 s LEU 63 N 1.30 3.48 0.24 2.42 0.20 -0.24 -4.87 118.68 121.21 2kc0 s LEU 63 Ca 0.07 0.41 -0.30 0.00 0.69 0.00 0.00 54.13 54.99 2kc0 s LEU 63 Cb -0.18 -3.25 -0.10 0.00 -0.43 0.00 0.00 46.19 42.23 2kc0 s LEU 63 CO -0.14 -1.55 1.43 0.20 -0.29 0.00 0.00 176.35 176.00 2kc0 s ASN 64 N 3.83 6.68 0.00 3.68 -0.87 -1.26 -1.39 114.94 125.60 2kc0 s ASN 64 Ca 0.52 2.63 0.00 0.00 -1.57 0.00 0.00 52.86 54.45 2kc0 s ASN 64 Cb -0.10 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.51 2kc0 s ASN 64 CO 0.28 -0.69 0.52 1.07 -2.57 0.00 0.00 177.10 175.71 2kc0 n THR 65 N 2.45 0.00 -4.79 1.60 5.66 0.19 -4.66 114.28 114.73 2kc0 n THR 65 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 2kc0 n THR 65 Cb 0.40 0.91 0.00 0.00 -1.55 0.00 0.00 70.33 70.09 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 0.00 0.32 0.02 1.09 0.00 -1.11 -4.38 105.19 101.13 2kc0 n GLY 66 Ca 0.00 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.19 2kc0 n GLY 66 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kc0 n LYS 67 N -0.11 0.37 0.00 1.61 -0.00 -1.26 -4.24 118.16 114.53 2kc0 n LYS 67 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2kc0 n LYS 67 Cb 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 33.49 2kc0 n LYS 67 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2kc0 n LEU 68 N -1.97 0.80 0.48 -5.58 -0.00 -1.26 -4.41 117.00 105.05 2kc0 n LEU 68 Ca 0.00 -0.40 -0.19 0.00 -0.00 0.00 0.00 56.01 55.42 2kc0 n LEU 68 Cb 0.46 -0.20 -0.09 0.00 -0.00 0.00 0.00 43.42 43.59 2kc0 n LEU 68 CO 0.43 0.15 0.53 0.11 -0.00 0.00 0.00 177.39 178.61 2kc0 h LYS 69 N 0.88 -1.17 -6.77 1.47 6.56 -1.83 -3.47 116.57 112.24 2kc0 h LYS 69 Ca 0.00 0.08 -0.55 0.00 -1.06 0.00 0.00 60.65 59.11 2kc0 h LYS 69 Cb 0.30 0.27 -0.11 0.00 -0.57 0.00 0.00 32.23 32.12 2kc0 h LYS 69 CO 0.00 -0.78 -0.93 0.09 -2.06 0.00 0.00 179.45 175.77 2kc0 n ASN 70 N -5.32 -0.19 -3.92 0.86 3.02 -1.26 -3.46 115.26 104.98 2kc0 n ASN 70 Ca -0.15 -1.14 -0.35 0.00 -0.03 0.00 0.00 54.58 52.91 2kc0 n ASN 70 Cb 0.48 -2.35 0.01 0.00 -0.61 0.00 0.00 39.78 37.30 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 -2.88 -3.17 -4.36 6.41 5.68 -0.77 -5.01 116.55 112.44 2kc0 n ASP 71 Ca -0.30 -1.12 -0.21 0.00 -0.50 0.00 0.00 54.79 52.66 2kc0 n ASP 71 Cb 0.68 -2.63 -0.10 0.00 -1.14 0.00 0.00 41.12 37.93 2kc0 n ASP 71 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2kc0 s LYS 72 N -6.68 1.65 -0.19 0.11 -2.85 -1.13 -5.00 119.74 105.64 2kc0 s LYS 72 Ca 0.32 -1.93 -0.04 0.00 -1.00 0.00 0.00 55.97 53.32 2kc0 s LYS 72 Cb -0.14 -0.68 -0.02 0.00 -2.06 0.00 0.00 37.83 34.93 2kc0 s LYS 72 CO 0.91 -0.27 -0.03 0.14 0.10 0.00 0.00 175.35 176.21 2kc0 s VAL 73 N -3.39 3.67 -0.23 1.79 -7.23 -1.26 -0.68 120.40 113.06 2kc0 s VAL 73 Ca 0.35 -0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 59.99 2kc0 s VAL 73 Cb 0.07 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 2kc0 s VAL 73 CO 0.15 0.44 0.21 -0.94 -0.31 0.00 0.00 175.10 174.65 2kc0 s SER 74 N 1.02 6.18 0.21 4.85 1.04 -0.09 -4.94 113.70 121.97 2kc0 s SER 74 Ca 0.01 0.19 -0.30 0.00 0.48 0.00 0.00 55.95 56.32 2kc0 s SER 74 Cb -0.15 -2.13 -0.10 0.00 0.10 0.00 0.00 66.02 63.75 2kc0 s SER 74 CO 0.01 0.03 1.42 0.00 0.98 0.00 0.00 173.24 175.68 2kc0 s ARG 75 N 1.14 4.29 0.01 4.02 1.70 -1.26 -2.01 118.95 126.84 2kc0 s ARG 75 Ca 0.10 2.23 0.00 0.00 -0.47 0.00 0.00 55.73 57.59 2kc0 s ARG 75 Cb -0.14 -3.15 -0.01 0.00 -0.57 0.00 0.00 34.95 31.09 2kc0 s ARG 75 CO 0.05 -0.41 -0.01 -0.06 -1.08 0.00 0.00 175.30 173.79 2kc0 s PHE 76 N 0.29 0.10 0.09 5.89 0.08 -0.94 -4.83 117.98 118.65 2kc0 s PHE 76 Ca 0.61 -0.13 -0.13 0.00 0.12 0.00 0.00 56.93 57.39 2kc0 s PHE 76 Cb -0.40 -0.07 -0.06 0.00 -0.57 0.00 0.00 43.02 41.92 2kc0 s PHE 76 CO 0.39 -0.04 0.46 -0.51 -0.10 0.00 0.00 175.22 175.42 2kc0 s ASP 77 N -0.36 6.76 -0.05 1.36 1.11 -0.65 -2.22 116.67 122.62 2kc0 s ASP 77 Ca -0.04 0.95 -0.01 0.00 0.18 0.00 0.00 52.55 53.64 2kc0 s ASP 77 Cb -0.03 -2.24 0.03 0.00 1.07 0.00 0.00 42.92 41.75 2kc0 s ASP 77 CO -0.00 0.18 0.02 0.12 1.18 0.00 0.00 175.17 176.67 2kc0 s PHE 78 N -1.35 0.31 -0.07 4.23 2.19 -0.44 -1.61 117.98 121.24 2kc0 s PHE 78 Ca 0.33 0.05 0.04 0.00 0.33 0.00 0.00 56.93 57.68 2kc0 s PHE 78 Cb -0.15 -0.54 0.00 0.00 -1.31 0.00 0.00 43.02 41.02 2kc0 s PHE 78 CO 0.18 -0.21 -0.20 0.42 1.83 0.00 0.00 175.22 177.24 2kc0 s ILE 79 N 1.72 1.68 -0.21 3.12 1.01 -0.26 -0.75 121.20 127.51 2kc0 s ILE 79 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 2kc0 s ILE 79 Cb -0.13 -1.46 0.06 0.00 0.01 0.00 0.00 42.46 40.94 2kc0 s ILE 79 CO -0.03 0.48 -0.02 0.00 0.00 0.00 0.00 174.94 175.36 2kc0 s ARG 80 N 0.26 1.22 0.21 2.79 1.70 -0.41 -0.63 118.95 124.09 2kc0 s ARG 80 Ca -0.12 -0.70 0.11 0.00 -0.47 0.00 0.00 55.73 54.55 2kc0 s ARG 80 Cb -0.15 -2.31 -0.05 0.00 -0.57 0.00 0.00 34.95 31.87 2kc0 s ARG 80 CO 0.05 -0.59 -0.21 -1.14 -1.08 0.00 0.00 175.30 172.33 2kc0 s GLN 81 N 1.61 1.51 0.08 3.89 0.74 0.24 -4.51 119.66 123.21 2kc0 s GLN 81 Ca -0.03 -1.58 -0.15 0.00 0.05 0.00 0.00 55.36 53.66 2kc0 s GLN 81 Cb -0.18 -1.69 0.02 0.00 1.10 0.00 0.00 33.01 32.27 2kc0 s GLN 81 CO -0.07 0.34 0.34 -1.50 -0.55 0.00 0.00 175.29 173.85 2kc0 s ILE 82 N -2.05 0.08 -0.02 -2.34 2.07 -1.26 -0.44 121.20 117.24 2kc0 s ILE 82 Ca 0.23 -0.68 -0.25 0.00 -1.41 0.00 0.00 60.65 58.54 2kc0 s ILE 82 Cb -0.06 -1.08 -0.04 0.00 0.13 0.00 0.00 42.46 41.41 2kc0 s ILE 82 CO 0.11 -0.38 0.76 -1.83 -1.91 0.00 0.00 174.94 171.69 2kc0 s GLU 83 N -3.15 4.47 -0.18 3.50 1.03 -1.26 -4.49 118.70 118.62 2kc0 s GLU 83 Ca -0.01 1.02 -0.03 0.00 0.03 0.00 0.00 54.97 55.98 2kc0 s GLU 83 Cb 0.01 -3.42 -0.02 0.00 -0.80 0.00 0.00 34.13 29.90 2kc0 s GLU 83 CO -0.07 0.12 -0.06 0.14 -1.33 0.00 0.00 175.26 174.06 2kc0 s VAL 84 N 0.55 3.49 -0.09 1.83 -7.23 0.23 -4.52 120.40 114.67 2kc0 s VAL 84 Ca 0.40 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 2kc0 s VAL 84 Cb -0.19 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.20 2kc0 s VAL 84 CO 0.21 0.46 0.00 -0.67 -0.31 0.00 0.00 175.10 174.79 2kc0 n ASP 85 N 4.16 -5.35 0.00 4.85 2.03 -1.26 -0.49 116.55 120.49 2kc0 n ASP 85 Ca -0.18 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2kc0 n ASP 85 Cb 0.52 -3.24 0.00 0.00 -0.72 0.00 0.00 41.12 37.68 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kc0 n GLY 86 N 0.84 0.75 3.31 0.27 0.00 -1.26 -5.11 105.19 103.99 2kc0 n GLY 86 Ca -0.01 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.80 1.23 -0.17 1.61 -0.21 0.36 -5.12 119.66 116.56 2kc0 s GLN 87 Ca 0.00 -1.47 -0.07 0.00 0.02 0.00 0.00 55.36 53.84 2kc0 s GLN 87 Cb 0.00 -1.08 -0.04 0.00 1.00 0.00 0.00 33.01 32.89 2kc0 s GLN 87 CO 0.00 0.19 0.07 -0.51 -2.12 0.00 0.00 175.29 172.92 2kc0 s LEU 88 N -2.98 3.89 -0.00 2.90 1.02 -1.26 -0.60 118.68 121.64 2kc0 s LEU 88 Ca 0.18 0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.49 2kc0 s LEU 88 Cb -0.02 -1.98 -0.01 0.00 0.02 0.00 0.00 46.19 44.20 2kc0 s LEU 88 CO 0.05 0.21 -0.09 -0.63 0.02 0.00 0.00 176.35 175.91 2kc0 s ILE 89 N 0.18 0.69 -0.40 -0.59 1.01 -1.26 -5.01 121.20 115.82 2kc0 s ILE 89 Ca 0.05 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.33 2kc0 s ILE 89 Cb -0.12 -0.59 0.23 0.00 0.01 0.00 0.00 42.46 41.98 2kc0 s ILE 89 CO 0.00 0.15 0.51 0.41 0.00 0.00 0.00 174.94 176.01 2kc0 n THR 90 N 2.74 -0.77 -0.56 2.92 -1.04 -1.26 -4.58 114.28 111.73 2kc0 n THR 90 Ca -0.14 -3.64 0.00 0.00 -2.04 0.00 0.00 64.05 58.23 2kc0 n THR 90 Cb 0.57 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 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 1.80 0.71 -4.46 -4.42 7.99 -1.26 -5.06 117.00 112.30 2kc0 n LEU 91 Ca 0.22 -0.71 -0.38 0.00 -0.01 0.00 0.00 56.01 55.13 2kc0 n LEU 91 Cb 0.53 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.72 2kc0 n LEU 91 CO 0.14 0.18 -0.21 -1.61 -1.51 0.00 0.00 177.39 174.37 2kc0 s GLU 92 N -0.27 3.46 0.02 3.23 8.01 -1.26 -4.09 118.70 127.80 2kc0 s GLU 92 Ca 0.00 -0.64 -0.01 0.00 0.01 0.00 0.00 54.97 54.33 2kc0 s GLU 92 Cb 0.00 -3.54 -0.02 0.00 -4.31 0.00 0.00 34.13 26.26 2kc0 s GLU 92 CO 0.00 -0.35 -0.00 -1.12 0.01 0.00 0.00 175.26 173.79 2kc0 s SER 93 N 1.63 0.25 0.31 -0.19 0.01 -0.32 -1.29 113.70 114.10 2kc0 s SER 93 Ca 0.05 -0.54 -0.07 0.00 1.31 0.00 0.00 55.95 56.70 2kc0 s SER 93 Cb -0.17 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.23 2kc0 s SER 93 CO 0.06 -0.36 0.54 0.61 0.41 0.00 0.00 173.24 174.51 2kc0 n GLY 94 N 1.33 1.67 3.97 3.44 0.00 0.07 -2.82 105.19 112.85 2kc0 n GLY 94 Ca -0.22 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.20 2kc0 n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kc0 s GLU 95 N -2.36 3.03 -0.28 1.61 2.12 -0.05 -1.33 118.70 121.44 2kc0 s GLU 95 Ca 0.19 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.78 2kc0 s GLU 95 Cb -0.03 -2.66 0.16 0.00 0.26 0.00 0.00 34.13 31.86 2kc0 s GLU 95 CO 0.14 -0.18 0.42 0.12 -0.54 0.00 0.00 175.26 175.22 2kc0 s PHE 96 N -2.41 -1.05 -0.37 5.30 5.36 -0.94 -2.12 117.98 121.74 2kc0 s PHE 96 Ca 0.48 0.54 -0.13 0.00 -0.96 0.00 0.00 56.93 56.86 2kc0 s PHE 96 Cb -0.10 -0.06 0.01 0.00 -0.34 0.00 0.00 43.02 42.54 2kc0 s PHE 96 CO 0.35 -0.93 0.24 -1.14 -1.46 0.00 0.00 175.22 172.28 2kc0 s GLN 97 N 2.58 3.06 -0.36 10.12 2.00 -0.76 -2.22 119.66 134.07 2kc0 s GLN 97 Ca 0.11 -0.94 -0.03 0.00 -2.00 0.00 0.00 55.36 52.50 2kc0 s GLN 97 Cb -0.13 -3.81 0.08 0.00 0.80 0.00 0.00 33.01 29.94 2kc0 s GLN 97 CO -0.27 -0.64 0.12 0.08 -0.50 0.00 0.00 175.29 174.09 2kc0 s VAL 98 N 1.64 3.31 0.03 1.34 1.01 -0.85 -1.76 120.40 125.11 2kc0 s VAL 98 Ca 0.04 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.08 2kc0 s VAL 98 Cb -0.19 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2kc0 s VAL 98 CO 0.08 -0.40 1.13 -0.47 0.00 0.00 0.00 175.10 175.45 2kc0 s TYR 99 N 1.24 3.49 -0.48 5.22 6.14 0.11 -0.91 117.35 132.16 2kc0 s TYR 99 Ca 0.02 1.42 -0.15 0.00 0.64 0.00 0.00 57.07 59.00 2kc0 s TYR 99 Cb -0.21 -3.32 0.08 0.00 0.42 0.00 0.00 41.96 38.92 2kc0 s TYR 99 CO -0.02 -0.87 0.40 0.15 0.64 0.00 0.00 175.55 175.85 2kc0 s LYS 100 N 1.14 2.96 0.39 4.97 3.01 0.14 -2.02 119.74 130.33 2kc0 s LYS 100 Ca 0.56 -1.40 0.06 0.00 -1.01 0.00 0.00 55.97 54.17 2kc0 s LYS 100 Cb -0.26 -4.13 -0.00 0.00 -1.01 0.00 0.00 37.83 32.42 2kc0 s LYS 100 CO 0.28 -1.06 0.55 -0.65 0.51 0.00 0.00 175.35 174.97 2kc0 s GLN 101 N 1.62 3.00 0.03 1.68 1.11 -0.94 -1.85 119.66 124.30 2kc0 s GLN 101 Ca 0.04 -0.97 -0.22 0.00 0.01 0.00 0.00 55.36 54.22 2kc0 s GLN 101 Cb -0.25 -2.74 -0.15 0.00 -1.01 0.00 0.00 33.01 28.85 2kc0 s GLN 101 CO 0.06 -0.12 1.34 1.03 0.01 0.00 0.00 175.29 177.61 2kc0 h SER 102 N 0.70 0.29 -0.22 5.90 0.87 -1.96 -3.37 113.55 115.75 2kc0 h SER 102 Ca -0.44 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2kc0 h SER 102 Cb 1.26 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2kc0 h SER 102 CO 0.52 0.69 0.00 1.41 -0.53 0.00 0.00 176.83 178.92 2kc0 n HIS 103 N -4.64 0.29 -3.70 2.24 8.25 -1.26 -2.52 115.22 113.87 2kc0 n HIS 103 Ca -0.07 -0.25 -0.08 0.00 -0.26 0.00 0.00 57.72 57.07 2kc0 n HIS 103 Cb 0.32 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.43 2kc0 n HIS 103 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kc0 n SER 104 N 0.78 -1.47 -3.63 0.41 3.41 -1.26 -4.31 113.62 107.55 2kc0 n SER 104 Ca 0.11 -2.26 -0.11 0.00 -0.26 0.00 0.00 58.87 56.36 2kc0 n SER 104 Cb 0.41 2.51 -0.07 0.00 -0.26 0.00 0.00 64.21 66.80 2kc0 n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kc0 s ALA 105 N -2.02 -1.87 0.08 7.33 0.00 -0.55 -2.22 121.76 122.50 2kc0 s ALA 105 Ca 0.15 2.10 0.05 0.00 0.00 0.00 0.00 51.96 54.26 2kc0 s ALA 105 Cb -0.03 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 2kc0 s ALA 105 CO 0.11 -0.33 -0.13 -0.48 0.00 0.00 0.00 175.76 174.93 2kc0 s LEU 106 N 0.68 2.30 0.19 0.00 0.05 -0.85 -1.32 118.68 119.72 2kc0 s LEU 106 Ca -0.02 -0.65 0.07 0.00 0.05 0.00 0.00 54.13 53.58 2kc0 s LEU 106 Cb -0.05 -0.46 -0.04 0.00 -2.05 0.00 0.00 46.19 43.59 2kc0 s LEU 106 CO -0.06 -0.11 0.07 0.28 -0.55 0.00 0.00 176.35 175.98 2kc0 s THR 107 N -1.47 4.03 0.03 5.48 -1.32 -0.95 -0.71 115.64 120.72 2kc0 s THR 107 Ca -0.01 -1.38 0.02 0.00 -1.21 0.00 0.00 61.69 59.11 2kc0 s THR 107 Cb -0.09 -3.07 -0.02 0.00 -1.51 0.00 0.00 72.50 67.81 2kc0 s THR 107 CO 0.02 -0.18 -0.07 0.00 -2.21 0.00 0.00 174.62 172.18 2kc0 s ALA 108 N -1.87 0.56 -0.01 11.08 0.00 -0.72 -1.21 121.76 129.59 2kc0 s ALA 108 Ca 0.30 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 2kc0 s ALA 108 Cb -0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 2kc0 s ALA 108 CO 0.21 0.04 0.28 -0.06 0.00 0.00 0.00 175.76 176.23 2kc0 s PHE 109 N -0.93 3.61 -0.44 0.00 0.40 -0.14 -1.83 117.98 118.65 2kc0 s PHE 109 Ca -0.05 0.66 0.07 0.00 -0.60 0.00 0.00 56.93 57.00 2kc0 s PHE 109 Cb -0.07 -2.05 0.24 0.00 0.51 0.00 0.00 43.02 41.65 2kc0 s PHE 109 CO 0.00 0.63 0.68 0.94 0.70 0.00 0.00 175.22 178.17 2kc0 n GLN 110 N 1.37 0.71 -2.99 0.44 7.27 -0.90 -2.71 117.38 120.56 2kc0 n GLN 110 Ca -0.13 -2.52 -0.37 0.00 0.07 0.00 0.00 57.00 54.05 2kc0 n GLN 110 Cb 0.53 -1.36 -0.06 0.00 2.41 0.00 0.00 30.24 31.76 2kc0 n GLN 110 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2kc0 s THR 111 N -0.22 4.44 0.27 1.69 -1.32 -0.81 -0.87 115.64 118.82 2kc0 s THR 111 Ca 0.33 1.50 0.00 0.00 -1.21 0.00 0.00 61.69 62.31 2kc0 s THR 111 Cb 0.18 -3.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.23 2kc0 s THR 111 CO -0.17 0.23 0.00 -1.84 -2.21 0.00 0.00 174.62 170.63 2kc0 n GLU 112 N 0.80 0.00 -3.20 7.08 0.28 -1.15 -0.75 120.64 123.69 2kc0 n GLU 112 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.57 2kc0 n GLU 112 Cb 0.50 -0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.30 2kc0 n GLU 112 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2kc0 s GLN 113 N -2.00 3.67 -0.10 3.44 2.00 -1.13 -1.29 119.66 124.25 2kc0 s GLN 113 Ca 0.00 -0.06 -0.14 0.00 -2.00 0.00 0.00 55.36 53.16 2kc0 s GLN 113 Cb 0.00 -3.80 0.03 0.00 0.80 0.00 0.00 33.01 30.04 2kc0 s GLN 113 CO 0.00 -0.65 0.35 -1.50 -0.50 0.00 0.00 175.29 172.99 2kc0 s ILE 114 N 2.48 0.02 0.52 -2.34 2.07 -0.69 -1.18 121.20 122.09 2kc0 s ILE 114 Ca 0.21 -0.13 -0.22 0.00 -1.41 0.00 0.00 60.65 59.09 2kc0 s ILE 114 Cb -0.15 -0.55 -0.05 0.00 0.13 0.00 0.00 42.46 41.84 2kc0 s ILE 114 CO 0.13 -0.07 1.29 -1.58 -1.91 0.00 0.00 174.94 172.80 2kc0 s GLN 115 N -0.26 3.31 -0.30 3.50 0.74 -1.26 -0.86 119.66 124.54 2kc0 s GLN 115 Ca -0.04 2.06 -0.26 0.00 0.05 0.00 0.00 55.36 57.17 2kc0 s GLN 115 Cb -0.03 -2.27 0.01 0.00 1.10 0.00 0.00 33.01 31.81 2kc0 s GLN 115 CO 0.02 -1.00 0.91 0.34 -0.55 0.00 0.00 175.29 175.01 2kc0 s ASP 116 N -1.13 6.82 -0.52 6.67 -1.08 -1.24 -4.83 116.67 121.35 2kc0 s ASP 116 Ca 0.70 0.91 -0.07 0.00 -0.52 0.00 0.00 52.55 53.57 2kc0 s ASP 116 Cb -0.36 -2.47 -0.20 0.00 -1.46 0.00 0.00 42.92 38.43 2kc0 s ASP 116 CO 0.42 -0.70 3.27 -0.24 0.52 0.00 0.00 175.17 178.45 2kc0 n SER 117 N 6.41 6.11 0.00 -0.34 2.88 -1.26 -3.02 113.62 124.41 2kc0 n SER 117 Ca 0.08 -2.47 0.00 0.00 -1.33 0.00 0.00 58.87 55.15 2kc0 n SER 117 Cb 0.47 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2kc0 n SER 117 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2kc0 n GLU 118 N 2.90 0.28 0.00 -1.46 0.28 -1.26 -4.96 120.64 116.42 2kc0 n GLU 118 Ca 0.52 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.53 2kc0 n GLU 118 Cb 0.65 -0.06 0.00 0.00 1.43 0.00 0.00 31.44 33.47 2kc0 n GLU 118 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kc0 n HIS 119 N -0.30 0.00 -1.97 -1.84 -0.00 -1.17 -5.03 115.22 104.91 2kc0 n HIS 119 Ca 0.00 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.03 2kc0 n HIS 119 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 2kc0 n HIS 119 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2kc0 n SER 120 N -0.10 -4.35 -0.02 0.26 7.64 -1.24 -4.55 113.62 111.26 2kc0 n SER 120 Ca 0.01 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2kc0 n SER 120 Cb 0.04 -3.80 0.00 0.00 -1.01 0.00 0.00 64.21 59.43 2kc0 n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kc0 n GLY 121 N -0.60 0.04 0.00 0.23 0.00 -1.26 -5.11 105.19 98.48 2kc0 n GLY 121 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2kc0 n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kc0 n LYS 122 N 0.00 2.43 -3.85 1.61 5.02 -1.26 -5.08 118.16 117.03 2kc0 n LYS 122 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2kc0 n LYS 122 Cb 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.02 2kc0 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kc0 s MET 123 N -0.21 1.85 0.15 1.97 0.23 -1.26 -3.74 119.30 118.30 2kc0 s MET 123 Ca 0.00 -1.06 -0.06 0.00 -1.03 0.00 0.00 55.69 53.54 2kc0 s MET 123 Cb 0.00 0.61 -0.02 0.00 -1.53 0.00 0.00 34.83 33.89 2kc0 s MET 123 CO 0.00 -0.85 0.19 0.14 -2.03 0.00 0.00 175.02 172.47 2kc0 s VAL 124 N -3.62 0.08 -0.39 5.16 -7.23 -0.04 -4.77 120.40 109.60 2kc0 s VAL 124 Ca 0.12 -1.59 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 2kc0 s VAL 124 Cb -0.06 -1.91 0.11 0.00 0.56 0.00 0.00 36.38 35.09 2kc0 s VAL 124 CO 0.08 -0.38 0.13 0.00 -0.31 0.00 0.00 175.10 174.62 2kc0 s ALA 125 N -4.00 2.71 -0.27 1.32 0.00 -1.26 -1.70 121.76 118.56 2kc0 s ALA 125 Ca 0.19 -2.60 0.00 0.00 0.00 0.00 0.00 51.96 49.56 2kc0 s ALA 125 Cb 0.05 -1.96 0.05 0.00 0.00 0.00 0.00 23.12 21.26 2kc0 s ALA 125 CO 0.00 -1.82 -0.06 -1.59 0.00 0.00 0.00 175.76 172.30 2kc0 s LYS 126 N 0.64 2.45 -0.44 0.00 -2.85 -0.41 -4.99 119.74 114.13 2kc0 s LYS 126 Ca 0.13 -1.23 -0.26 0.00 -1.00 0.00 0.00 55.97 53.61 2kc0 s LYS 126 Cb -0.21 -3.01 -0.25 0.00 -2.06 0.00 0.00 37.83 32.30 2kc0 s LYS 126 CO -0.08 -0.55 1.78 0.54 0.10 0.00 0.00 175.35 177.15 2kc0 n ARG 127 N 4.55 0.85 -2.94 1.78 1.74 -1.26 -4.03 116.66 117.35 2kc0 n ARG 127 Ca -0.14 -1.48 -0.44 0.00 -0.77 0.00 0.00 57.85 55.02 2kc0 n ARG 127 Cb 0.44 -2.74 -0.02 0.00 -1.02 0.00 0.00 32.46 29.11 2kc0 n ARG 127 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2kc0 s GLN 128 N 5.89 3.70 -0.23 5.56 -0.21 0.07 -4.96 119.66 129.47 2kc0 s GLN 128 Ca 0.63 -1.95 -0.16 0.00 0.02 0.00 0.00 55.36 53.90 2kc0 s GLN 128 Cb 0.15 -4.94 -0.04 0.00 1.00 0.00 0.00 33.01 29.18 2kc0 s GLN 128 CO 0.22 -1.76 0.39 0.12 -2.12 0.00 0.00 175.29 172.14 2kc0 s PHE 129 N 2.40 3.32 0.09 0.91 5.36 -1.26 -1.92 117.98 126.88 2kc0 s PHE 129 Ca 0.35 0.54 -0.04 0.00 -0.96 0.00 0.00 56.93 56.81 2kc0 s PHE 129 Cb -0.04 -2.55 -0.02 0.00 -0.34 0.00 0.00 43.02 40.06 2kc0 s PHE 129 CO -0.08 -0.10 0.09 1.03 -1.46 0.00 0.00 175.22 174.70 2kc0 s ARG 130 N 1.63 0.78 0.63 10.12 1.81 -1.10 -4.63 118.95 128.19 2kc0 s ARG 130 Ca 0.17 -1.16 -0.15 0.00 -1.72 0.00 0.00 55.73 52.88 2kc0 s ARG 130 Cb -0.15 0.27 -0.02 0.00 -0.45 0.00 0.00 34.95 34.60 2kc0 s ARG 130 CO 0.08 -0.21 1.07 -1.50 -0.68 0.00 0.00 175.30 174.06 2kc0 s ILE 131 N -3.92 3.70 0.00 1.52 1.10 -1.26 -0.97 121.20 121.37 2kc0 s ILE 131 Ca 0.10 0.76 0.00 0.00 -0.51 0.00 0.00 60.65 61.00 2kc0 s ILE 131 Cb 0.06 -3.31 0.00 0.00 0.15 0.00 0.00 42.46 39.37 2kc0 s ILE 131 CO -0.08 -0.52 0.00 0.61 -2.11 0.00 0.00 174.94 172.84 2kc0 n GLY 132 N -1.02 4.03 3.80 1.50 0.00 -0.35 -4.64 105.19 108.50 2kc0 n GLY 132 Ca 0.09 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.39 6.64 -0.94 1.61 -1.08 -1.26 -4.79 116.67 116.46 2kc0 s ASP 133 Ca 0.00 1.89 -0.01 0.00 -0.52 0.00 0.00 52.55 53.90 2kc0 s ASP 133 Cb 0.00 -2.56 0.28 0.00 -1.46 0.00 0.00 42.92 39.17 2kc0 s ASP 133 CO 0.00 -0.57 1.14 -0.38 0.52 0.00 0.00 175.17 175.88 2kc0 n ILE 134 N -0.61 4.10 -2.19 4.11 2.08 -1.26 -2.24 119.36 123.35 2kc0 n ILE 134 Ca 0.07 -5.57 -0.37 0.00 0.56 0.00 0.00 62.75 57.44 2kc0 n ILE 134 Cb 0.52 -2.18 -0.00 0.00 -0.75 0.00 0.00 39.64 37.23 2kc0 n ILE 134 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kc0 s ALA 135 N -2.35 2.98 0.00 -1.39 0.00 -0.44 -4.80 121.76 115.76 2kc0 s ALA 135 Ca 0.33 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2kc0 s ALA 135 Cb 0.04 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2kc0 s ALA 135 CO 0.02 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2kc0 n GLY 136 N 0.51 0.64 3.67 0.00 0.00 -1.26 -1.48 105.19 107.27 2kc0 n GLY 136 Ca 0.07 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 2kc0 n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kc0 n GLU 137 N 0.00 2.82 -3.89 1.61 1.02 -1.26 -4.95 120.64 115.99 2kc0 n GLU 137 Ca 0.00 1.03 -0.35 0.00 -0.02 0.00 0.00 57.16 57.82 2kc0 n GLU 137 Cb 0.00 -2.96 -0.14 0.00 -0.02 0.00 0.00 31.44 28.33 2kc0 n GLU 137 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kc0 s HIS 138 N 3.69 2.98 -0.39 -0.32 -3.43 -1.26 -4.95 115.29 111.60 2kc0 s HIS 138 Ca 0.86 -0.91 0.10 0.00 -0.80 0.00 0.00 55.06 54.31 2kc0 s HIS 138 Cb -0.46 -2.12 0.31 0.00 -1.43 0.00 0.00 32.58 28.88 2kc0 s HIS 138 CO 0.40 -0.54 0.72 0.25 -2.00 0.00 0.00 174.74 173.57 2kc0 n THR 139 N 4.81 -0.30 -2.67 -5.38 -2.24 -1.26 -4.54 114.28 102.70 2kc0 n THR 139 Ca -0.18 -3.97 -0.02 0.00 -2.27 0.00 0.00 64.05 57.61 2kc0 n THR 139 Cb 0.51 -0.49 0.13 0.00 -2.10 0.00 0.00 70.33 68.37 2kc0 n THR 139 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2kc0 n SER 140 N 0.68 -1.47 -0.04 3.42 3.41 -1.26 -4.97 113.62 113.39 2kc0 n SER 140 Ca 0.21 -2.22 -0.07 0.00 -0.26 0.00 0.00 58.87 56.53 2kc0 n SER 140 Cb 0.63 0.69 0.10 0.00 -0.26 0.00 0.00 64.21 65.37 2kc0 n SER 140 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2kc0 h PHE 141 N 1.02 0.76 0.00 7.33 3.57 -1.95 -3.11 116.94 124.55 2kc0 h PHE 141 Ca -0.44 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 60.86 2kc0 h PHE 141 Cb 1.30 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2kc0 h PHE 141 CO -0.07 0.89 0.00 -0.40 -2.23 0.00 0.00 178.31 176.50 2kc0 n ASP 142 N -4.07 0.00 -0.19 0.41 5.75 -1.26 -1.37 116.55 115.82 2kc0 n ASP 142 Ca -0.01 -0.51 0.05 0.00 -0.01 0.00 0.00 54.79 54.32 2kc0 n ASP 142 Cb 0.47 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 2kc0 n ASP 142 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2kc0 n LYS 143 N -0.83 2.38 -2.23 0.11 4.76 -1.18 -5.01 118.16 116.16 2kc0 n LYS 143 Ca 0.06 -0.48 -0.27 0.00 -2.87 0.00 0.00 58.31 54.75 2kc0 n LYS 143 Cb 0.03 -1.09 0.05 0.00 -1.84 0.00 0.00 35.03 32.17 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 -1.91 3.01 0.29 -0.35 1.02 -0.47 -4.87 118.68 115.39 2kc0 s LEU 144 Ca 0.08 0.70 0.22 0.00 0.02 0.00 0.00 54.13 55.15 2kc0 s LEU 144 Cb 0.09 -3.44 0.12 0.00 0.02 0.00 0.00 46.19 42.98 2kc0 s LEU 144 CO 0.32 -1.33 1.26 1.55 0.02 0.00 0.00 176.35 178.18 2kc0 h PRO 145 N -0.44 0.00 -2.45 1.29 0.13 -1.95 -3.48 132.00 125.11 2kc0 h PRO 145 Ca -0.45 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.37 2kc0 h PRO 145 Cb 1.28 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 2kc0 h PRO 145 CO 0.61 0.03 -0.35 -1.91 -0.23 0.00 0.00 178.00 176.16 2kc0 n GLU 146 N -2.87 -1.70 -0.02 0.86 2.13 -1.26 -4.85 120.64 112.93 2kc0 n GLU 146 Ca 0.01 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.66 2kc0 n GLU 146 Cb 0.56 -5.30 0.00 0.00 0.27 0.00 0.00 31.44 26.98 2kc0 n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kc0 n GLY 147 N -0.60 -1.85 3.81 8.31 0.00 -1.26 -3.95 105.19 109.65 2kc0 n GLY 147 Ca -0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 2kc0 n GLY 147 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kc0 s GLY 148 N -0.22 0.40 0.03 -0.02 0.00 -1.26 -4.87 107.32 101.38 2kc0 s GLY 148 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 2kc0 s GLY 148 CO 0.00 -0.04 0.18 1.09 0.00 0.00 0.00 173.10 174.33 2kc0 s ARG 149 N -2.10 3.37 -0.21 2.90 1.70 -1.26 -0.76 118.95 122.59 2kc0 s ARG 149 Ca 0.17 -0.42 -0.02 0.00 -0.47 0.00 0.00 55.73 54.99 2kc0 s ARG 149 Cb -0.05 -3.02 0.06 0.00 -0.57 0.00 0.00 34.95 31.37 2kc0 s ARG 149 CO 0.11 0.63 0.01 0.00 -1.08 0.00 0.00 175.30 174.98 2kc0 s ALA 150 N -1.41 1.27 0.34 7.88 0.00 -0.43 -4.94 121.76 124.48 2kc0 s ALA 150 Ca 0.31 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 51.17 2kc0 s ALA 150 Cb -0.13 -1.26 -0.10 0.00 0.00 0.00 0.00 23.12 21.64 2kc0 s ALA 150 CO 0.23 -1.20 0.86 0.99 0.00 0.00 0.00 175.76 176.64 2kc0 s THR 151 N 1.73 4.45 0.04 0.00 2.01 -1.26 -1.04 115.64 121.57 2kc0 s THR 151 Ca -0.02 1.40 -0.03 0.00 0.31 0.00 0.00 61.69 63.36 2kc0 s THR 151 Cb -0.18 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 2kc0 s THR 151 CO -0.08 -0.08 0.02 -0.31 -0.69 0.00 0.00 174.62 173.48 2kc0 s TYR 152 N -1.88 0.33 -0.18 4.92 2.02 -0.07 -4.48 117.35 118.01 2kc0 s TYR 152 Ca 0.54 -0.73 -0.04 0.00 -0.37 0.00 0.00 57.07 56.47 2kc0 s TYR 152 Cb -0.13 -0.24 -0.03 0.00 -0.40 0.00 0.00 41.96 41.16 2kc0 s TYR 152 CO 0.18 -0.34 -0.02 0.50 -1.57 0.00 0.00 175.55 174.30 2kc0 s ARG 153 N -2.89 3.64 -0.13 -0.62 6.06 -0.52 -2.59 118.95 121.90 2kc0 s ARG 153 Ca -0.03 -0.52 0.00 0.00 -2.50 0.00 0.00 55.73 52.68 2kc0 s ARG 153 Cb 0.00 -3.00 -0.01 0.00 0.06 0.00 0.00 34.95 32.00 2kc0 s ARG 153 CO -0.06 0.12 -0.14 0.20 -2.50 0.00 0.00 175.30 172.92 2kc0 s GLY 154 N 0.71 1.53 -0.15 8.12 0.00 -0.04 -1.26 107.32 116.23 2kc0 s GLY 154 Ca -0.01 -0.89 -0.13 0.00 0.00 0.00 0.00 44.72 43.68 2kc0 s GLY 154 CO 0.02 -0.21 0.29 -1.59 0.00 0.00 0.00 173.10 171.61 2kc0 s THR 155 N 0.33 5.30 -0.14 0.90 2.01 0.29 -2.07 115.64 122.26 2kc0 s THR 155 Ca -0.11 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 2kc0 s THR 155 Cb -0.16 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2kc0 s THR 155 CO 0.06 0.42 -0.10 0.00 -0.69 0.00 0.00 174.62 174.31 2kc0 s ALA 156 N 0.22 2.72 -0.10 7.40 0.00 -1.26 -2.62 121.76 128.11 2kc0 s ALA 156 Ca 0.17 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2kc0 s ALA 156 Cb -0.13 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.68 2kc0 s ALA 156 CO 0.04 0.17 -0.09 -0.59 0.00 0.00 0.00 175.76 175.30 2kc0 s PHE 157 N 0.47 1.49 0.11 0.00 -0.71 -1.06 -4.64 117.98 113.65 2kc0 s PHE 157 Ca -0.08 -0.71 -0.11 0.00 -1.04 0.00 0.00 56.93 55.00 2kc0 s PHE 157 Cb -0.15 -1.20 0.01 0.00 -1.21 0.00 0.00 43.02 40.46 2kc0 s PHE 157 CO 0.04 -0.46 0.27 0.20 -1.34 0.00 0.00 175.22 173.92 2kc0 s GLY 158 N 1.45 0.03 0.00 1.99 0.00 -1.26 -0.78 107.32 108.75 2kc0 s GLY 158 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.26 2kc0 s GLY 158 CO -0.06 -0.66 0.97 -1.26 0.00 0.00 0.00 173.10 172.10 2kc0 n SER 159 N -0.13 0.00 0.00 1.64 2.88 -1.26 -3.76 113.62 112.98 2kc0 n SER 159 Ca -0.14 -1.73 0.00 0.00 -1.33 0.00 0.00 58.87 55.67 2kc0 n SER 159 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2kc0 n SER 159 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kc0 n ASP 160 N -0.53 0.00 -0.08 -3.46 5.75 -1.26 -4.99 116.55 111.97 2kc0 n ASP 160 Ca 0.01 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 2kc0 n ASP 160 Cb 0.01 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 2kc0 n ASP 160 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kc0 n ASP 161 N -0.79 0.00 -2.33 -1.12 2.03 -1.25 -4.97 116.55 108.12 2kc0 n ASP 161 Ca 0.00 -0.36 -0.18 0.00 0.52 0.00 0.00 54.79 54.77 2kc0 n ASP 161 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 2kc0 n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kc0 n ALA 162 N 0.00 -0.63 -0.63 -1.67 0.00 -1.25 -4.91 120.51 111.43 2kc0 n ALA 162 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 2kc0 n ALA 162 Cb 0.18 -1.98 -0.01 0.00 0.00 0.00 0.00 19.45 17.64 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 -0.90 2.86 2.13 0.00 0.00 -1.26 -4.08 105.19 103.93 2kc0 n GLY 163 Ca -0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 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 1.36 1.36 3.77 -0.02 0.00 -1.26 -4.65 105.19 105.76 2kc0 n GLY 164 Ca 0.10 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 0.09 2.78 0.09 1.61 1.02 -1.26 -4.52 119.74 119.55 2kc0 s LYS 165 Ca 0.06 1.35 -0.05 0.00 0.02 0.00 0.00 55.97 57.36 2kc0 s LYS 165 Cb 0.30 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.63 2kc0 s LYS 165 CO -0.09 -1.26 0.10 -0.48 -0.92 0.00 0.00 175.35 172.71 2kc0 s LEU 166 N -4.95 1.79 -0.06 3.17 -0.00 -0.88 -1.56 118.68 116.20 2kc0 s LEU 166 Ca 0.66 -0.90 -0.03 0.00 -0.00 0.00 0.00 54.13 53.86 2kc0 s LEU 166 Cb -0.20 0.64 -0.04 0.00 -0.00 0.00 0.00 46.19 46.59 2kc0 s LEU 166 CO 0.43 -0.71 0.12 -0.89 -0.00 0.00 0.00 176.35 175.30 2kc0 s THR 167 N -3.93 5.12 0.06 5.48 2.01 -0.26 -0.86 115.64 123.25 2kc0 s THR 167 Ca 0.11 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.04 2kc0 s THR 167 Cb 0.06 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2kc0 s THR 167 CO -0.07 0.47 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.75 2kc0 s TYR 168 N -1.13 0.99 -0.01 4.92 6.14 -1.07 -1.62 117.35 125.57 2kc0 s TYR 168 Ca 0.20 -0.48 -0.10 0.00 0.64 0.00 0.00 57.07 57.33 2kc0 s TYR 168 Cb -0.12 -0.57 0.01 0.00 0.42 0.00 0.00 41.96 41.70 2kc0 s TYR 168 CO 0.10 -0.00 0.20 -0.08 0.64 0.00 0.00 175.55 176.41 2kc0 s THR 169 N -1.34 0.07 -0.05 4.34 -1.32 -0.67 -0.89 115.64 115.78 2kc0 s THR 169 Ca -0.05 -0.57 -0.01 0.00 -1.21 0.00 0.00 61.69 59.85 2kc0 s THR 169 Cb -0.10 -0.48 0.03 0.00 -1.51 0.00 0.00 72.50 70.44 2kc0 s THR 169 CO 0.01 -0.31 0.02 -0.51 -2.21 0.00 0.00 174.62 171.62 2kc0 s ILE 170 N -1.25 0.18 -0.39 5.08 2.07 -0.20 -1.80 121.20 124.88 2kc0 s ILE 170 Ca -0.13 0.22 -0.28 0.00 -1.41 0.00 0.00 60.65 59.05 2kc0 s ILE 170 Cb -0.06 -0.36 0.02 0.00 0.13 0.00 0.00 42.46 42.19 2kc0 s ILE 170 CO 0.02 0.21 1.03 -0.62 -1.91 0.00 0.00 174.94 173.67 2kc0 s ASP 171 N 1.89 6.72 0.37 4.50 -1.08 -1.00 -1.31 116.67 126.76 2kc0 s ASP 171 Ca 0.03 0.64 0.27 0.00 -0.52 0.00 0.00 52.55 52.96 2kc0 s ASP 171 Cb -0.12 -2.51 1.02 0.00 -1.46 0.00 0.00 42.92 39.85 2kc0 s ASP 171 CO -0.04 -0.99 1.80 -0.26 0.52 0.00 0.00 175.17 176.20 2kc0 h PHE 172 N 8.63 0.00 0.00 -5.34 0.04 -1.29 0.03 116.94 119.01 2kc0 h PHE 172 Ca -0.22 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.31 2kc0 h PHE 172 Cb 1.07 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.18 2kc0 h PHE 172 CO 0.88 0.00 -1.68 0.00 -0.60 0.00 0.00 178.31 176.91 2kc0 n ALA 173 N -1.92 1.75 0.47 2.45 0.00 -1.25 -4.30 120.51 117.72 2kc0 n ALA 173 Ca 0.02 -0.73 0.08 0.00 0.00 0.00 0.00 53.44 52.82 2kc0 n ALA 173 Cb 0.32 -0.81 0.11 0.00 0.00 0.00 0.00 19.45 19.07 2kc0 n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kc0 n ALA 174 N -2.49 2.42 -1.50 0.00 0.00 -1.20 -4.97 120.51 112.77 2kc0 n ALA 174 Ca -0.15 -0.77 -0.17 0.00 0.00 0.00 0.00 53.44 52.35 2kc0 n ALA 174 Cb 0.95 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 2kc0 n ALA 174 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kc0 n LYS 175 N 0.96 -1.33 -4.58 0.00 4.76 -0.01 -4.98 118.16 112.98 2kc0 n LYS 175 Ca 0.12 1.10 -0.26 0.00 -2.87 0.00 0.00 58.31 56.39 2kc0 n LYS 175 Cb 0.44 -5.39 -0.17 0.00 -1.84 0.00 0.00 35.03 28.07 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2kc0 s GLN 176 N -3.43 1.96 -0.33 1.97 -0.21 -1.18 -3.77 119.66 114.66 2kc0 s GLN 176 Ca 0.00 -0.49 -0.08 0.00 0.02 0.00 0.00 55.36 54.81 2kc0 s GLN 176 Cb 0.00 -1.63 0.02 0.00 1.00 0.00 0.00 33.01 32.40 2kc0 s GLN 176 CO 0.00 0.00 0.13 0.20 -2.12 0.00 0.00 175.29 173.50 2kc0 s GLY 177 N 0.78 1.85 0.43 3.09 0.00 -0.29 -2.37 107.32 110.81 2kc0 s GLY 177 Ca -0.12 -1.60 0.07 0.00 0.00 0.00 0.00 44.72 43.07 2kc0 s GLY 177 CO 0.02 0.74 0.29 0.21 0.00 0.00 0.00 173.10 174.37 2kc0 s ASN 178 N 1.50 4.73 0.03 1.64 3.04 -0.74 -1.83 114.94 123.31 2kc0 s ASN 178 Ca 0.01 -0.95 -0.01 0.00 0.04 0.00 0.00 52.86 51.96 2kc0 s ASN 178 Cb -0.18 -0.42 0.00 0.00 -1.54 0.00 0.00 41.25 39.11 2kc0 s ASN 178 CO 0.04 -0.66 0.05 0.61 -3.04 0.00 0.00 177.10 174.10 2kc0 n GLY 179 N -1.44 2.30 3.64 1.21 0.00 -1.26 -1.66 105.19 107.98 2kc0 n GLY 179 Ca 0.01 -1.15 -0.06 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.02 0.34 0.25 1.61 -2.85 -0.64 -4.02 119.74 112.40 2kc0 s LYS 180 Ca 0.01 0.43 -0.22 0.00 -1.00 0.00 0.00 55.97 55.19 2kc0 s LYS 180 Cb -0.00 0.15 -0.09 0.00 -2.06 0.00 0.00 37.83 35.83 2kc0 s LYS 180 CO 0.01 -0.05 0.80 0.42 0.10 0.00 0.00 175.35 176.63 2kc0 s ILE 181 N 0.36 4.43 -0.28 3.79 -1.09 -0.95 -1.11 121.20 126.35 2kc0 s ILE 181 Ca 0.02 1.50 -0.03 0.00 -2.23 0.00 0.00 60.65 59.92 2kc0 s ILE 181 Cb -0.05 -3.94 0.16 0.00 -1.58 0.00 0.00 42.46 37.06 2kc0 s ILE 181 CO -0.10 0.22 0.54 -0.70 -1.23 0.00 0.00 174.94 173.67 2kc0 s GLU 182 N -1.90 0.50 0.00 2.79 2.12 -0.60 -4.43 118.70 117.18 2kc0 s GLU 182 Ca 0.44 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.72 2kc0 s GLU 182 Cb -0.18 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.54 2kc0 s GLU 182 CO 0.22 -0.56 0.00 1.58 -0.54 0.00 0.00 175.26 175.96 2kc0 n HIS 183 N 5.41 0.00 -2.08 5.30 -0.00 -1.26 -4.57 115.22 118.02 2kc0 n HIS 183 Ca -0.03 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.83 2kc0 n HIS 183 Cb 0.50 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.37 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 0.00 3.41 0.55 0.27 2.01 -1.26 -4.85 118.68 118.81 2kc0 s LEU 184 Ca 0.00 1.53 0.28 0.00 0.01 0.00 0.00 54.13 55.95 2kc0 s LEU 184 Cb 0.00 -4.49 1.46 0.00 0.01 0.00 0.00 46.19 43.17 2kc0 s LEU 184 CO 0.00 -0.82 1.94 0.07 1.01 0.00 0.00 176.35 178.55 2kc0 h LYS 185 N 0.22 0.00 -4.85 1.70 2.10 -2.00 -3.42 116.57 110.31 2kc0 h LYS 185 Ca -0.45 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 57.81 2kc0 h LYS 185 Cb 1.19 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.26 2kc0 h LYS 185 CO 0.61 0.00 -0.78 -1.12 -2.00 0.00 0.00 179.45 176.16 2kc0 s SER 186 N -5.74 1.18 0.07 7.07 0.01 -1.26 -5.10 113.70 109.93 2kc0 s SER 186 Ca -0.05 -0.30 -0.23 0.00 1.31 0.00 0.00 55.95 56.68 2kc0 s SER 186 Cb 0.19 -0.09 -0.15 0.00 0.21 0.00 0.00 66.02 66.18 2kc0 s SER 186 CO 0.69 0.04 1.62 1.55 0.41 0.00 0.00 173.24 177.55 2kc0 h PRO 187 N 5.45 0.04 0.00 12.44 0.13 -2.00 -3.09 132.00 144.96 2kc0 h PRO 187 Ca -0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kc0 h PRO 187 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kc0 h PRO 187 CO 0.47 0.15 0.00 -1.91 -0.23 0.00 0.00 178.00 176.48 2kc0 n GLU 188 N -5.01 0.72 0.18 0.86 2.13 -1.26 -3.06 120.64 115.21 2kc0 n GLU 188 Ca -0.07 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.82 2kc0 n GLU 188 Cb 0.09 -1.50 0.21 0.00 0.27 0.00 0.00 31.44 30.51 2kc0 n GLU 188 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2kc0 h LEU 189 N 0.00 0.00 -9.25 4.31 -0.00 -1.89 -3.41 115.31 105.07 2kc0 h LEU 189 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.33 2kc0 h LEU 189 Cb 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.77 2kc0 h LEU 189 CO 0.00 0.34 0.90 0.20 -0.00 0.00 0.00 178.44 179.88 2kc0 s ASN 190 N -6.33 6.87 0.26 -0.43 0.01 -1.17 -3.83 114.94 110.32 2kc0 s ASN 190 Ca 0.03 1.94 -0.02 0.00 -0.71 0.00 0.00 52.86 54.11 2kc0 s ASN 190 Cb 0.08 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 2kc0 s ASN 190 CO 0.69 -0.77 0.47 0.68 -1.51 0.00 0.00 177.10 176.67 2kc0 s VAL 191 N 3.17 5.13 0.51 1.60 -7.23 -1.26 -4.88 120.40 117.43 2kc0 s VAL 191 Ca 0.62 -0.27 -0.20 0.00 -1.81 0.00 0.00 61.98 60.31 2kc0 s VAL 191 Cb -0.27 -3.76 -0.07 0.00 0.56 0.00 0.00 36.38 32.84 2kc0 s VAL 191 CO 0.22 -0.30 1.11 -1.81 -0.31 0.00 0.00 175.10 174.00 2kc0 s ASP 192 N -3.36 5.98 -0.13 4.85 1.01 -1.26 -2.24 116.67 121.51 2kc0 s ASP 192 Ca 0.40 2.12 0.01 0.00 0.71 0.00 0.00 52.55 55.79 2kc0 s ASP 192 Cb -0.11 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 2kc0 s ASP 192 CO 0.31 -1.04 -0.15 -0.22 0.21 0.00 0.00 175.17 174.28 2kc0 s LEU 193 N -3.58 2.58 -0.46 1.23 0.20 -1.26 -4.09 118.68 113.30 2kc0 s LEU 193 Ca 0.70 -0.38 -0.29 0.00 0.69 0.00 0.00 54.13 54.84 2kc0 s LEU 193 Cb -0.22 -1.57 0.02 0.00 -0.43 0.00 0.00 46.19 43.99 2kc0 s LEU 193 CO 0.26 0.15 1.24 0.00 -0.29 0.00 0.00 176.35 177.72 2kc0 s ALA 194 N 0.41 3.09 -0.24 5.97 0.00 -0.64 -4.36 121.76 125.99 2kc0 s ALA 194 Ca -0.12 -0.39 -0.39 0.00 0.00 0.00 0.00 51.96 51.06 2kc0 s ALA 194 Cb -0.16 -3.93 -0.15 0.00 0.00 0.00 0.00 23.12 18.88 2kc0 s ALA 194 CO 0.06 -2.36 1.75 0.00 0.00 0.00 0.00 175.76 175.21 2kc0 n ALA 195 N 8.27 -0.08 -2.55 0.00 0.00 -1.26 -4.04 120.51 120.85 2kc0 n ALA 195 Ca 0.13 0.38 -0.28 0.00 0.00 0.00 0.00 53.44 53.67 2kc0 n ALA 195 Cb 0.49 -2.25 -0.10 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 3.50 2.88 0.45 0.00 0.00 -0.76 -4.95 121.76 122.88 2kc0 s ALA 196 Ca 0.97 -1.42 0.06 0.00 0.00 0.00 0.00 51.96 51.58 2kc0 s ALA 196 Cb -1.02 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 2kc0 s ALA 196 CO 0.63 0.52 0.20 0.16 0.00 0.00 0.00 175.76 177.27 2kc0 s ASP 197 N -2.59 4.43 0.07 0.00 -4.77 -1.26 -1.14 116.67 111.41 2kc0 s ASP 197 Ca 0.23 -1.19 -0.31 0.00 -3.30 0.00 0.00 52.55 47.98 2kc0 s ASP 197 Cb -0.09 -0.16 -0.08 0.00 -1.09 0.00 0.00 42.92 41.49 2kc0 s ASP 197 CO 0.14 -0.70 1.55 -0.63 0.70 0.00 0.00 175.17 176.23 2kc0 s ILE 198 N -2.67 3.18 0.21 2.11 -1.09 -1.25 -4.13 121.20 117.57 2kc0 s ILE 198 Ca 0.35 0.68 -0.27 0.00 -2.23 0.00 0.00 60.65 59.18 2kc0 s ILE 198 Cb 0.02 -3.44 -0.09 0.00 -1.58 0.00 0.00 42.46 37.38 2kc0 s ILE 198 CO 0.20 0.01 0.85 -1.59 -1.23 0.00 0.00 174.94 173.18 2kc0 s LYS 199 N 2.23 4.65 -1.11 2.79 -2.85 -0.86 -4.96 119.74 119.63 2kc0 s LYS 199 Ca 0.70 1.28 -0.22 0.00 -1.00 0.00 0.00 55.97 56.73 2kc0 s LYS 199 Cb -0.38 -3.19 0.01 0.00 -2.06 0.00 0.00 37.83 32.21 2kc0 s LYS 199 CO 0.30 0.51 1.72 -1.25 0.10 0.00 0.00 175.35 176.74 2kc0 s PRO 200 N -1.32 3.30 -0.44 1.78 0.04 -1.26 -4.56 135.00 132.54 2kc0 s PRO 200 Ca 0.40 -1.23 0.07 0.00 0.04 0.00 0.00 61.00 60.28 2kc0 s PRO 200 Cb -0.23 -5.33 0.30 0.00 0.04 0.00 0.00 34.50 29.27 2kc0 s PRO 200 CO 0.28 -2.79 0.92 -0.25 0.04 0.00 0.00 177.00 175.20 2kc0 n ASP 201 N 10.77 -1.60 -1.26 6.66 8.00 -1.26 -5.03 116.55 132.83 2kc0 n ASP 201 Ca 0.41 -3.36 0.00 0.00 0.71 0.00 0.00 54.79 52.56 2kc0 n ASP 201 Cb 0.48 1.13 0.00 0.00 -0.02 0.00 0.00 41.12 42.71 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 0.80 1.30 0.22 0.44 0.00 -1.26 -4.24 105.19 102.46 2kc0 n GLY 202 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 2kc0 n GLY 202 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kc0 h LYS 203 N 1.40 0.00 0.00 1.61 2.10 -1.99 -3.42 116.57 116.28 2kc0 h LYS 203 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kc0 h LYS 203 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 2kc0 h LYS 203 CO 0.00 0.26 0.00 2.89 -2.00 0.00 0.00 179.45 180.60 2kc0 n ARG 204 N -3.63 0.00 -3.84 0.07 1.85 -1.26 -5.17 116.66 104.68 2kc0 n ARG 204 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 2kc0 n ARG 204 Cb 0.39 -0.15 0.01 0.00 -1.05 0.00 0.00 32.46 31.66 2kc0 n ARG 204 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2kc0 s HIS 205 N -1.00 0.02 -0.43 2.89 -3.43 -1.26 -4.15 115.29 107.93 2kc0 s HIS 205 Ca 0.00 -0.42 -0.00 0.00 -0.80 0.00 0.00 55.06 53.84 2kc0 s HIS 205 Cb 0.00 0.70 0.12 0.00 -1.43 0.00 0.00 32.58 31.96 2kc0 s HIS 205 CO 0.00 -0.94 0.20 0.00 -2.00 0.00 0.00 174.74 172.00 2kc0 s ALA 206 N -2.46 3.16 0.77 -1.38 0.00 -1.26 -4.41 121.76 116.18 2kc0 s ALA 206 Ca 0.19 -2.72 -0.12 0.00 0.00 0.00 0.00 51.96 49.31 2kc0 s ALA 206 Cb -0.02 -2.29 0.06 0.00 0.00 0.00 0.00 23.12 20.86 2kc0 s ALA 206 CO 0.05 -1.84 1.11 0.08 0.00 0.00 0.00 175.76 175.16 2kc0 s VAL 207 N 0.74 3.09 -0.04 0.00 1.01 -1.26 -4.75 120.40 119.20 2kc0 s VAL 207 Ca 0.11 0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.54 2kc0 s VAL 207 Cb -0.22 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 2kc0 s VAL 207 CO -0.05 -0.43 -0.21 -0.63 0.00 0.00 0.00 175.10 173.78 2kc0 s ILE 208 N -2.72 1.71 -0.08 2.22 -1.09 -1.02 -2.04 121.20 118.18 2kc0 s ILE 208 Ca 0.64 -0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 58.12 2kc0 s ILE 208 Cb -0.19 -1.44 0.04 0.00 -1.58 0.00 0.00 42.46 39.29 2kc0 s ILE 208 CO 0.53 0.48 0.19 -0.44 -1.23 0.00 0.00 174.94 174.47 2kc0 s SER 209 N -0.25 -0.18 0.05 3.58 0.01 -1.26 -1.75 113.70 113.90 2kc0 s SER 209 Ca 0.02 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2kc0 s SER 209 Cb -0.11 0.29 -0.00 0.00 0.21 0.00 0.00 66.02 66.41 2kc0 s SER 209 CO 0.01 -0.15 0.06 0.61 0.41 0.00 0.00 173.24 174.18 2kc0 n GLY 210 N 4.15 3.33 3.67 3.44 0.00 -0.42 -4.61 105.19 114.75 2kc0 n GLY 210 Ca -0.25 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.34 4.86 -0.08 1.61 0.01 -1.26 -1.22 113.70 116.29 2kc0 s SER 211 Ca 0.05 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 2kc0 s SER 211 Cb 0.00 -1.08 0.04 0.00 0.21 0.00 0.00 66.02 65.20 2kc0 s SER 211 CO 0.04 0.11 0.16 -0.69 0.41 0.00 0.00 173.24 173.27 2kc0 s VAL 212 N -1.60 -0.15 0.16 3.43 1.01 -1.19 -1.62 120.40 120.44 2kc0 s VAL 212 Ca 0.27 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 2kc0 s VAL 212 Cb -0.10 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.04 2kc0 s VAL 212 CO 0.19 0.11 0.18 0.18 0.00 0.00 0.00 175.10 175.75 2kc0 n LEU 213 N 4.70 0.00 -3.64 3.92 4.77 -1.26 -0.70 117.00 124.78 2kc0 n LEU 213 Ca -0.17 -0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 55.58 2kc0 n LEU 213 Cb 0.51 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2kc0 n LEU 213 CO 0.12 -0.87 0.31 -0.47 -1.33 0.00 0.00 177.39 175.15 2kc0 s TYR 214 N -1.36 -1.19 -1.56 -1.77 5.04 -0.39 -4.65 117.35 111.47 2kc0 s TYR 214 Ca 0.11 2.23 0.00 0.00 -2.44 0.00 0.00 57.07 56.96 2kc0 s TYR 214 Cb -0.01 0.72 0.00 0.00 0.35 0.00 0.00 41.96 43.02 2kc0 s TYR 214 CO 0.08 -0.59 0.00 0.09 -1.34 0.00 0.00 175.55 173.78 2kc0 n ASN 215 N 4.82 -5.16 -2.26 4.32 4.13 -1.25 -0.51 115.26 119.35 2kc0 n ASN 215 Ca -0.16 0.09 -0.16 0.00 1.68 0.00 0.00 54.58 56.03 2kc0 n ASN 215 Cb 0.55 -4.35 -0.02 0.00 -1.54 0.00 0.00 39.78 34.42 2kc0 n ASN 215 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kc0 n GLN 216 N -2.87 -1.87 0.00 3.52 1.13 -1.26 -4.91 117.38 111.11 2kc0 n GLN 216 Ca -0.21 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 2kc0 n GLN 216 Cb 0.65 -5.39 0.00 0.00 0.11 0.00 0.00 30.24 25.61 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 -1.62 0.00 -1.21 -1.58 0.00 0.33 -5.13 120.51 111.31 2kc0 n ALA 217 Ca -0.19 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.35 2kc0 n ALA 217 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.46 -3.24 0.00 4.07 -1.25 -1.26 120.64 117.51 2kc0 n GLU 218 Ca 0.00 0.96 -0.03 0.00 -0.06 0.00 0.00 57.16 58.04 2kc0 n GLU 218 Cb 0.00 -1.78 -0.04 0.00 -0.06 0.00 0.00 31.44 29.57 2kc0 n GLU 218 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2kc0 s LYS 219 N -1.12 0.48 0.00 5.31 1.02 -1.26 -4.67 119.74 119.50 2kc0 s LYS 219 Ca 0.00 0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.49 2kc0 s LYS 219 Cb 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 37.83 37.31 2kc0 s LYS 219 CO 0.00 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 173.95 2kc0 n GLY 220 N 5.39 2.66 3.38 -3.33 0.00 0.12 -4.16 105.19 109.25 2kc0 n GLY 220 Ca 0.01 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.94 -0.03 0.05 1.61 1.04 0.32 -3.20 113.70 112.55 2kc0 s SER 221 Ca 0.00 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.66 2kc0 s SER 221 Cb 0.00 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 2kc0 s SER 221 CO 0.00 -0.93 -0.06 -0.72 0.98 0.00 0.00 173.24 172.51 2kc0 s TYR 222 N -3.94 0.60 -0.01 5.02 1.13 -0.35 -1.21 117.35 118.57 2kc0 s TYR 222 Ca 0.15 -0.70 -0.01 0.00 -1.41 0.00 0.00 57.07 55.10 2kc0 s TYR 222 Cb 0.02 -0.37 0.01 0.00 -1.10 0.00 0.00 41.96 40.52 2kc0 s TYR 222 CO -0.01 -0.18 0.03 0.45 -2.51 0.00 0.00 175.55 173.34 2kc0 s SER 223 N -2.12 -0.02 0.14 -0.18 0.15 -0.13 -1.31 113.70 110.24 2kc0 s SER 223 Ca -0.03 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.55 2kc0 s SER 223 Cb -0.03 0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.33 2kc0 s SER 223 CO -0.03 -0.03 0.34 -1.48 1.20 0.00 0.00 173.24 173.24 2kc0 s LEU 224 N 0.22 0.74 0.35 3.45 0.05 -0.72 -1.22 118.68 121.55 2kc0 s LEU 224 Ca -0.02 -0.59 0.08 0.00 0.05 0.00 0.00 54.13 53.65 2kc0 s LEU 224 Cb -0.03 1.52 -0.05 0.00 -2.05 0.00 0.00 46.19 45.59 2kc0 s LEU 224 CO -0.01 -0.88 0.10 -0.83 -0.55 0.00 0.00 176.35 174.19 2kc0 s GLY 225 N -2.88 2.04 -0.23 -3.48 0.00 -0.53 -2.43 107.32 99.82 2kc0 s GLY 225 Ca 0.09 -1.91 -0.12 0.00 0.00 0.00 0.00 44.72 42.77 2kc0 s GLY 225 CO -0.06 -1.83 0.23 -0.42 0.00 0.00 0.00 173.10 171.02 2kc0 s ILE 226 N -2.48 5.31 0.08 0.90 -1.09 -1.26 -3.03 121.20 119.62 2kc0 s ILE 226 Ca 0.37 0.34 0.10 0.00 -2.23 0.00 0.00 60.65 59.23 2kc0 s ILE 226 Cb -0.01 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2kc0 s ILE 226 CO 0.22 0.32 -0.26 -0.36 -1.23 0.00 0.00 174.94 173.62 2kc0 s PHE 227 N 1.10 2.32 0.00 3.97 0.40 -0.20 -4.77 117.98 120.80 2kc0 s PHE 227 Ca 0.11 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 2kc0 s PHE 227 Cb -0.14 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.05 2kc0 s PHE 227 CO 0.05 0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.59 2kc0 n GLY 228 N 1.45 -2.45 0.00 4.36 0.00 -1.26 -1.38 105.19 105.91 2kc0 n GLY 228 Ca -0.17 -1.25 0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.89 -0.14 0.70 -0.02 0.00 -1.26 -0.90 105.19 102.68 2kc0 n GLY 229 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.03 2kc0 n GLY 229 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kc0 n LYS 230 N -1.06 0.29 -3.34 1.61 4.76 -1.26 -4.73 118.16 114.42 2kc0 n LYS 230 Ca 0.02 -1.63 -0.16 0.00 -2.87 0.00 0.00 58.31 53.67 2kc0 n LYS 230 Cb 0.01 -0.59 0.04 0.00 -1.84 0.00 0.00 35.03 32.66 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kc0 n ALA 231 N -0.15 -2.53 0.06 7.82 0.00 -0.08 -4.97 120.51 120.67 2kc0 n ALA 231 Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 2kc0 n ALA 231 Cb 0.81 -4.10 0.04 0.00 0.00 0.00 0.00 19.45 16.20 2kc0 n ALA 231 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2kc0 h GLN 232 N -0.86 0.34 -2.68 0.00 5.75 -1.42 -3.48 115.11 112.76 2kc0 h GLN 232 Ca -0.48 -0.28 0.11 0.00 -0.15 0.00 0.00 58.65 57.85 2kc0 h GLN 232 Cb 1.25 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.79 2kc0 h GLN 232 CO 0.41 0.93 0.35 -1.83 -2.65 0.00 0.00 178.83 176.04 2kc0 s GLU 233 N -3.58 1.43 -0.00 1.69 -1.05 -1.19 -2.36 118.70 113.64 2kc0 s GLU 233 Ca -0.05 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.01 2kc0 s GLU 233 Cb 0.11 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 2kc0 s GLU 233 CO 0.83 -0.65 0.00 0.14 0.95 0.00 0.00 175.26 176.53 2kc0 s VAL 234 N -3.59 0.00 0.06 1.83 -7.23 0.26 -1.04 120.40 110.70 2kc0 s VAL 234 Ca 0.10 0.01 -0.10 0.00 -1.81 0.00 0.00 61.98 60.17 2kc0 s VAL 234 Cb -0.03 -0.02 0.01 0.00 0.56 0.00 0.00 36.38 36.90 2kc0 s VAL 234 CO 0.02 0.01 0.22 0.00 -0.31 0.00 0.00 175.10 175.04 2kc0 s ALA 235 N 0.05 -0.41 0.00 1.32 0.00 -1.17 -0.99 121.76 120.55 2kc0 s ALA 235 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2kc0 s ALA 235 Cb -0.01 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2kc0 s ALA 235 CO -0.00 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2kc0 n GLY 236 N 0.41 -0.64 3.25 0.00 0.00 -0.98 -1.45 105.19 105.78 2kc0 n GLY 236 Ca -0.18 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.08 0.03 1.61 1.04 -0.36 -1.66 113.70 110.28 2kc0 s SER 237 Ca 0.00 -0.34 0.06 0.00 0.48 0.00 0.00 55.95 56.15 2kc0 s SER 237 Cb 0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 2kc0 s SER 237 CO 0.00 -0.70 -0.18 0.00 0.98 0.00 0.00 173.24 173.33 2kc0 s ALA 238 N -3.20 1.54 -0.17 5.32 0.00 0.00 -0.95 121.76 124.30 2kc0 s ALA 238 Ca -0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 2kc0 s ALA 238 Cb 0.01 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2kc0 s ALA 238 CO -0.07 0.35 -0.16 -2.00 0.00 0.00 0.00 175.76 173.88 2kc0 s GLU 239 N -0.96 3.15 -0.04 0.00 2.12 -0.35 -0.62 118.70 122.00 2kc0 s GLU 239 Ca 0.06 -0.77 0.02 0.00 0.36 0.00 0.00 54.97 54.64 2kc0 s GLU 239 Cb -0.08 -2.66 0.01 0.00 0.26 0.00 0.00 34.13 31.66 2kc0 s GLU 239 CO 0.01 -0.11 -0.08 0.54 -0.54 0.00 0.00 175.26 175.08 2kc0 s VAL 240 N 1.11 0.75 0.90 3.70 0.11 -0.24 -0.52 120.40 126.22 2kc0 s VAL 240 Ca 0.00 -0.31 -0.12 0.00 -2.93 0.00 0.00 61.98 58.63 2kc0 s VAL 240 Cb -0.14 -0.70 0.13 0.00 -1.53 0.00 0.00 36.38 34.14 2kc0 s VAL 240 CO -0.06 0.25 1.10 -0.54 -3.33 0.00 0.00 175.10 172.52 2kc0 s LYS 241 N 0.45 1.21 0.14 1.54 -0.14 -1.26 -0.97 119.74 120.71 2kc0 s LYS 241 Ca -0.07 0.71 -0.15 0.00 -1.36 0.00 0.00 55.97 55.10 2kc0 s LYS 241 Cb -0.11 -1.81 0.03 0.00 -1.68 0.00 0.00 37.83 34.25 2kc0 s LYS 241 CO 0.01 -2.24 0.40 0.99 -0.76 0.00 0.00 175.35 173.74 2kc0 s THR 242 N -2.99 0.06 -0.09 2.17 2.01 -0.51 -4.82 115.64 111.47 2kc0 s THR 242 Ca 0.63 -0.77 0.22 0.00 0.31 0.00 0.00 61.69 62.08 2kc0 s THR 242 Cb -0.17 -1.36 0.22 0.00 0.01 0.00 0.00 72.50 71.19 2kc0 s THR 242 CO 0.56 -0.29 1.64 -0.37 -0.69 0.00 0.00 174.62 175.47 2kc0 h VAL 243 N 2.38 0.00 -0.14 3.82 -1.51 -2.00 0.10 116.25 118.89 2kc0 h VAL 243 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 2kc0 h VAL 243 Cb 1.25 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 2kc0 h VAL 243 CO 0.45 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.38 2kc0 n ASN 244 N -2.28 1.67 0.00 4.19 3.02 -1.26 -5.09 115.26 115.51 2kc0 n ASN 244 Ca -0.01 -1.68 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 2kc0 n ASN 244 Cb 0.10 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.15 -3.04 3.85 7.41 0.00 0.36 -5.06 105.19 109.86 2kc0 n GLY 245 Ca 0.17 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.53 4.76 0.03 -0.61 2.07 -1.26 -1.42 121.20 124.24 2kc0 s ILE 246 Ca 0.00 0.86 0.02 0.00 -1.41 0.00 0.00 60.65 60.12 2kc0 s ILE 246 Cb 0.00 -3.68 -0.02 0.00 0.13 0.00 0.00 42.46 38.89 2kc0 s ILE 246 CO 0.00 -0.01 -0.07 0.00 -1.91 0.00 0.00 174.94 172.95 2kc0 s ARG 247 N -2.58 0.50 0.08 3.50 1.70 -0.15 -4.96 118.95 117.05 2kc0 s ARG 247 Ca 0.47 -0.64 -0.02 0.00 -0.47 0.00 0.00 55.73 55.07 2kc0 s ARG 247 Cb -0.12 -0.30 -0.05 0.00 -0.57 0.00 0.00 34.95 33.91 2kc0 s ARG 247 CO 0.19 0.06 0.27 -1.01 -1.08 0.00 0.00 175.30 173.73 2kc0 s HIS 248 N -1.14 3.51 -0.01 5.89 3.76 -1.26 -1.08 115.29 124.95 2kc0 s HIS 248 Ca -0.08 0.39 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 2kc0 s HIS 248 Cb -0.08 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.73 2kc0 s HIS 248 CO 0.00 0.54 -0.07 0.42 -0.85 0.00 0.00 174.74 174.78 2kc0 s ILE 249 N -1.54 0.59 0.33 0.60 1.01 0.21 -4.71 121.20 117.69 2kc0 s ILE 249 Ca 0.36 -0.28 -0.27 0.00 0.00 0.00 0.00 60.65 60.46 2kc0 s ILE 249 Cb -0.13 -0.52 -0.09 0.00 0.01 0.00 0.00 42.46 41.73 2kc0 s ILE 249 CO 0.25 0.18 1.07 -0.83 0.00 0.00 0.00 174.94 175.62 2kc0 s GLY 250 N 0.06 2.94 -0.12 6.18 0.00 0.04 -0.82 107.32 115.61 2kc0 s GLY 250 Ca -0.00 0.81 -0.03 0.00 0.00 0.00 0.00 44.72 45.49 2kc0 s GLY 250 CO -0.00 1.34 -0.01 1.08 0.00 0.00 0.00 173.10 175.51 2kc0 s LEU 251 N -1.91 3.45 -0.29 0.66 2.01 -0.66 -2.56 118.68 119.38 2kc0 s LEU 251 Ca 0.50 0.02 0.03 0.00 0.01 0.00 0.00 54.13 54.68 2kc0 s LEU 251 Cb -0.28 -1.81 0.18 0.00 0.01 0.00 0.00 46.19 44.30 2kc0 s LEU 251 CO 0.35 0.28 0.54 0.00 1.01 0.00 0.00 176.35 178.54 2kc0 s ALA 252 N -0.28 -2.05 -0.02 4.21 0.00 -1.08 -2.32 121.76 120.22 2kc0 s ALA 252 Ca 0.06 1.14 0.08 0.00 0.00 0.00 0.00 51.96 53.24 2kc0 s ALA 252 Cb -0.12 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2kc0 s ALA 252 CO 0.02 -1.62 -0.26 0.00 0.00 0.00 0.00 175.76 173.90 2kc0 s ALA 253 N 2.77 2.15 0.01 0.00 0.00 -0.16 -0.54 121.76 125.97 2kc0 s ALA 253 Ca 0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 2kc0 s ALA 253 Cb -0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2kc0 s ALA 253 CO -0.24 0.53 0.02 0.21 0.00 0.00 0.00 175.76 176.27 2kc0 s LYS 254 N -0.61 0.26 0.00 0.00 2.20 -0.39 -0.57 119.74 120.63 2kc0 s LYS 254 Ca 0.10 -0.38 0.19 0.00 -0.36 0.00 0.00 55.97 55.52 2kc0 s LYS 254 Cb -0.10 0.10 1.13 0.00 -1.51 0.00 0.00 37.83 37.45 2kc0 s LYS 254 CO -0.01 -0.05 1.52 0.00 -0.36 0.00 0.00 175.35 176.46