#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 -0.08 0.30 0.00 0.00 -1.26 -3.10 105.19 101.06 2kc0 n GLY 15 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 0.58 -1.42 0.99 3.38 -1.96 -1.47 115.31 115.41 2kc0 h LEU 16 Ca 0.00 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2kc0 h LEU 16 Cb 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2kc0 h LEU 16 CO 0.00 0.29 -0.29 0.00 0.09 0.00 0.00 178.44 178.53 2kc0 h ALA 17 N 1.50 1.39 0.14 1.53 0.00 -1.71 -2.69 119.26 119.42 2kc0 h ALA 17 Ca 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2kc0 h ALA 17 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kc0 h ALA 17 CO -0.30 0.36 -0.07 0.22 0.00 0.00 0.00 179.25 179.46 2kc0 h ASP 18 N 0.00 -0.15 0.03 0.00 3.58 -1.62 -3.04 116.42 115.22 2kc0 h ASP 18 Ca -0.00 -0.40 -0.00 0.00 0.42 0.00 0.00 57.03 57.05 2kc0 h ASP 18 Cb 0.56 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 2kc0 h ASP 18 CO 0.04 0.40 -0.00 0.00 -2.88 0.00 0.00 179.24 176.79 2kc0 h ALA 19 N -0.14 1.10 0.00 -0.78 0.00 -1.22 0.72 119.26 118.93 2kc0 h ALA 19 Ca -0.02 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2kc0 h ALA 19 Cb 0.54 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2kc0 h ALA 19 CO 0.03 0.00 -1.39 1.28 0.00 0.00 0.00 179.25 179.18 2kc0 n LEU 20 N -3.23 0.85 -0.07 0.00 7.99 -1.02 -4.22 117.00 117.30 2kc0 n LEU 20 Ca -0.03 0.37 -0.08 0.00 -0.01 0.00 0.00 56.01 56.26 2kc0 n LEU 20 Cb 0.08 0.06 -0.15 0.00 -0.11 0.00 0.00 43.42 43.30 2kc0 n LEU 20 CO 0.22 0.11 -0.94 0.35 -1.51 0.00 0.00 177.39 175.62 2kc0 n THR 21 N -2.86 1.35 -3.96 -5.08 -2.24 -0.46 -4.87 114.28 96.16 2kc0 n THR 21 Ca -0.09 -0.81 -0.09 0.00 -2.27 0.00 0.00 64.05 60.78 2kc0 n THR 21 Cb 0.81 -0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.60 0.07 0.80 6.98 0.00 0.12 -5.10 121.76 122.04 2kc0 s ALA 22 Ca -0.08 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 2kc0 s ALA 22 Cb 0.07 0.72 0.07 0.00 0.00 0.00 0.00 23.12 23.99 2kc0 s ALA 22 CO 0.83 -0.57 1.13 -1.25 0.00 0.00 0.00 175.76 175.90 2kc0 s PRO 23 N -3.95 2.04 -0.11 0.00 0.04 -1.26 -4.00 135.00 127.77 2kc0 s PRO 23 Ca 0.14 0.37 -0.04 0.00 0.04 0.00 0.00 61.00 61.51 2kc0 s PRO 23 Cb 0.05 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2kc0 s PRO 23 CO -0.03 -1.59 0.01 -0.07 0.04 0.00 0.00 177.00 175.35 2kc0 h LEU 24 N -1.06 0.00 -7.00 -3.56 -0.00 -1.92 -3.47 115.31 98.29 2kc0 h LEU 24 Ca -0.47 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.35 2kc0 h LEU 24 Cb 1.30 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.75 2kc0 h LEU 24 CO 0.63 0.59 0.33 -1.81 -0.00 0.00 0.00 178.44 178.18 2kc0 s ASP 25 N -5.64 -0.55 -0.52 -0.43 1.01 -1.26 -5.03 116.67 104.24 2kc0 s ASP 25 Ca -0.04 0.58 0.04 0.00 0.71 0.00 0.00 52.55 53.83 2kc0 s ASP 25 Cb 0.00 0.45 0.15 0.00 1.01 0.00 0.00 42.92 44.54 2kc0 s ASP 25 CO 0.09 -0.52 0.34 -1.00 0.21 0.00 0.00 175.17 174.29 2kc0 s HIS 26 N -1.25 2.40 0.00 4.23 3.76 -1.26 -4.83 115.29 118.33 2kc0 s HIS 26 Ca -0.07 -2.76 0.00 0.00 -0.15 0.00 0.00 55.06 52.08 2kc0 s HIS 26 Cb -0.00 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.67 2kc0 s HIS 26 CO 0.06 -0.71 0.00 0.36 -0.85 0.00 0.00 174.74 173.60 2kc0 n LYS 27 N 2.86 0.00 -2.92 1.40 2.85 -1.26 -5.14 118.16 115.95 2kc0 n LYS 27 Ca 0.16 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.02 2kc0 n LYS 27 Cb 0.37 -0.02 -0.05 0.00 -0.65 0.00 0.00 35.03 34.68 2kc0 n LYS 27 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2kc0 s ASP 28 N -1.52 7.33 -0.43 -5.58 2.15 -1.26 -4.98 116.67 112.38 2kc0 s ASP 28 Ca 0.00 1.58 -0.01 0.00 0.43 0.00 0.00 52.55 54.56 2kc0 s ASP 28 Cb 0.00 -2.51 0.33 0.00 -0.30 0.00 0.00 42.92 40.44 2kc0 s ASP 28 CO 0.00 0.05 1.97 2.29 -0.17 0.00 0.00 175.17 179.31 2kc0 n LYS 29 N 2.46 2.10 0.00 4.34 0.00 -1.26 -4.83 118.16 120.98 2kc0 n LYS 29 Ca -0.02 -2.20 0.00 0.00 -0.00 0.00 0.00 58.31 56.09 2kc0 n LYS 29 Cb 0.49 -1.86 0.00 0.00 -0.00 0.00 0.00 35.03 33.66 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kc0 n GLY 30 N -0.21 7.12 3.59 2.58 0.00 -1.26 -5.08 105.19 111.94 2kc0 n GLY 30 Ca 0.42 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 2kc0 n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kc0 s LEU 31 N 0.00 3.47 0.00 0.99 0.20 -1.26 -4.83 118.68 117.25 2kc0 s LEU 31 Ca 0.00 1.38 0.14 0.00 0.69 0.00 0.00 54.13 56.33 2kc0 s LEU 31 Cb 0.00 -3.42 -0.13 0.00 -0.43 0.00 0.00 46.19 42.21 2kc0 s LEU 31 CO 0.00 -1.85 0.60 0.00 -0.29 0.00 0.00 176.35 174.81 2kc0 n GLN 32 N 8.57 2.43 -2.43 1.98 6.02 -1.26 -4.38 117.38 128.32 2kc0 n GLN 32 Ca 0.25 -0.09 -0.05 0.00 -0.01 0.00 0.00 57.00 57.10 2kc0 n GLN 32 Cb 0.47 -1.15 -0.00 0.00 1.02 0.00 0.00 30.24 30.57 2kc0 n GLN 32 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2kc0 n SER 33 N -1.18 -0.69 -4.01 1.08 3.41 -1.26 -0.66 113.62 110.31 2kc0 n SER 33 Ca 0.03 -1.75 -0.12 0.00 -0.26 0.00 0.00 58.87 56.77 2kc0 n SER 33 Cb 0.22 1.23 -0.12 0.00 -0.26 0.00 0.00 64.21 65.28 2kc0 n SER 33 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kc0 s LEU 34 N 0.00 2.20 -0.05 1.04 1.98 0.06 -4.70 118.68 119.21 2kc0 s LEU 34 Ca 0.10 -0.43 0.05 0.00 -2.89 0.00 0.00 54.13 50.96 2kc0 s LEU 34 Cb -0.01 -0.08 -0.01 0.00 0.66 0.00 0.00 46.19 46.75 2kc0 s LEU 34 CO 0.07 -0.18 -0.20 -0.89 -1.89 0.00 0.00 176.35 173.26 2kc0 s THR 35 N -1.13 1.66 -0.87 3.68 2.01 -1.26 -0.99 115.64 118.73 2kc0 s THR 35 Ca -0.10 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 2kc0 s THR 35 Cb -0.08 -1.42 0.16 0.00 0.01 0.00 0.00 72.50 71.17 2kc0 s THR 35 CO -0.00 0.47 2.40 0.18 -0.69 0.00 0.00 174.62 176.98 2kc0 n LEU 36 N 3.11 7.26 -0.01 4.42 4.32 0.13 -4.77 117.00 131.47 2kc0 n LEU 36 Ca -0.18 -4.64 0.15 0.00 -0.02 0.00 0.00 56.01 51.32 2kc0 n LEU 36 Cb 0.53 -1.24 0.74 0.00 -1.62 0.00 0.00 43.42 41.83 2kc0 n LEU 36 CO 0.25 1.89 1.00 -0.67 -1.22 0.00 0.00 177.39 178.64 2kc0 n ASP 37 N 0.77 0.06 0.00 -1.43 2.03 -1.26 -4.13 116.55 112.59 2kc0 n ASP 37 Ca 0.54 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2kc0 n ASP 37 Cb 0.36 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 2kc0 n ASP 37 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2kc0 n GLN 38 N -1.25 2.70 -0.34 -0.67 0.00 -1.26 -4.88 117.38 111.67 2kc0 n GLN 38 Ca 0.14 0.00 0.26 0.00 -0.00 0.00 0.00 57.00 57.40 2kc0 n GLN 38 Cb 0.25 -0.43 0.56 0.00 0.00 0.00 0.00 30.24 30.61 2kc0 n GLN 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2kc0 h SER 39 N 0.00 0.36 -4.31 1.69 4.64 -1.93 -3.41 113.55 110.59 2kc0 h SER 39 Ca 0.00 0.08 -0.47 0.00 -0.47 0.00 0.00 61.79 60.93 2kc0 h SER 39 Cb 0.00 0.02 -0.25 0.00 -0.31 0.00 0.00 62.40 61.87 2kc0 h SER 39 CO 0.00 0.04 -0.80 0.68 -0.87 0.00 0.00 176.83 175.88 2kc0 s VAL 40 N -5.39 1.20 1.11 0.95 -7.23 -1.26 -5.09 120.40 104.69 2kc0 s VAL 40 Ca -0.08 -1.02 -0.18 0.00 -1.81 0.00 0.00 61.98 58.89 2kc0 s VAL 40 Cb 0.25 -1.08 0.25 0.00 0.56 0.00 0.00 36.38 36.37 2kc0 s VAL 40 CO 0.80 0.04 1.17 -0.13 -0.31 0.00 0.00 175.10 176.67 2kc0 s ARG 41 N -1.13 -0.47 0.00 4.82 0.52 -1.26 -4.61 118.95 116.82 2kc0 s ARG 41 Ca 0.03 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 2kc0 s ARG 41 Cb -0.08 -1.69 0.00 0.00 0.52 0.00 0.00 34.95 33.70 2kc0 s ARG 41 CO 0.01 -3.21 0.19 1.63 0.02 0.00 0.00 175.30 173.95 2kc0 n LYS 42 N -4.39 0.00 0.00 3.54 5.02 -1.26 -2.40 118.16 118.67 2kc0 n LYS 42 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2kc0 n LYS 42 Cb 0.59 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 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 -0.62 0.00 -4.87 4.39 6.94 -1.26 -4.89 115.26 114.94 2kc0 n ASN 43 Ca 0.00 -0.87 -0.35 0.00 -0.02 0.00 0.00 54.58 53.34 2kc0 n ASN 43 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 2kc0 n ASN 43 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2kc0 s GLU 44 N 0.00 3.38 -0.10 -3.83 2.12 -1.01 -4.88 118.70 114.37 2kc0 s GLU 44 Ca 0.00 -0.26 -0.01 0.00 0.36 0.00 0.00 54.97 55.06 2kc0 s GLU 44 Cb 0.00 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 2kc0 s GLU 44 CO 0.00 0.72 -0.05 0.21 -0.54 0.00 0.00 175.26 175.59 2kc0 s LYS 45 N -1.49 3.14 0.11 4.30 2.20 -0.58 -3.32 119.74 124.10 2kc0 s LYS 45 Ca 0.21 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.32 2kc0 s LYS 45 Cb -0.12 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 2kc0 s LYS 45 CO 0.11 0.49 -0.09 -0.48 -0.36 0.00 0.00 175.35 175.03 2kc0 s LEU 46 N -0.34 2.48 -0.08 5.43 2.34 -0.58 -0.47 118.68 127.46 2kc0 s LEU 46 Ca 0.05 -0.94 0.04 0.00 0.06 0.00 0.00 54.13 53.34 2kc0 s LEU 46 Cb -0.12 -0.22 -0.01 0.00 -0.56 0.00 0.00 46.19 45.28 2kc0 s LEU 46 CO 0.02 -0.36 -0.21 -0.54 -1.06 0.00 0.00 176.35 174.20 2kc0 s LYS 47 N -3.44 2.81 -0.10 1.48 1.02 -0.30 -0.89 119.74 120.32 2kc0 s LYS 47 Ca 0.11 -0.83 0.03 0.00 0.02 0.00 0.00 55.97 55.30 2kc0 s LYS 47 Cb 0.02 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 2kc0 s LYS 47 CO -0.02 0.34 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.37 2kc0 s LEU 48 N -0.03 1.99 -0.03 3.17 1.98 0.22 -1.63 118.68 124.35 2kc0 s LEU 48 Ca -0.06 -0.51 -0.15 0.00 -2.89 0.00 0.00 54.13 50.51 2kc0 s LEU 48 Cb -0.15 -1.29 0.03 0.00 0.66 0.00 0.00 46.19 45.44 2kc0 s LEU 48 CO 0.05 0.12 0.33 0.00 -1.89 0.00 0.00 176.35 174.96 2kc0 s ALA 49 N 0.49 -0.84 -0.14 5.97 0.00 0.10 -0.43 121.76 126.91 2kc0 s ALA 49 Ca -0.16 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 2kc0 s ALA 49 Cb -0.17 0.00 0.09 0.00 0.00 0.00 0.00 23.12 23.04 2kc0 s ALA 49 CO 0.06 -0.26 0.81 0.00 0.00 0.00 0.00 175.76 176.38 2kc0 s ALA 50 N -1.16 -1.84 -1.50 0.00 0.00 -0.42 -1.65 121.76 115.19 2kc0 s ALA 50 Ca -0.12 1.57 -0.10 0.00 0.00 0.00 0.00 51.96 53.31 2kc0 s ALA 50 Cb -0.05 -0.54 0.07 0.00 0.00 0.00 0.00 23.12 22.60 2kc0 s ALA 50 CO 0.04 -0.33 0.80 0.94 0.00 0.00 0.00 175.76 177.21 2kc0 n GLN 51 N 1.28 -4.61 0.00 0.00 7.27 -1.26 -1.89 117.38 118.18 2kc0 n GLN 51 Ca -0.15 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.45 2kc0 n GLN 51 Cb 0.57 -5.20 0.00 0.00 2.41 0.00 0.00 30.24 28.02 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 -1.66 2.38 3.93 1.69 0.00 -1.26 -4.62 105.19 105.65 2kc0 n GLY 52 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.31 3.93 -0.06 4.61 0.00 -0.79 -5.13 121.76 122.00 2kc0 s ALA 53 Ca 0.00 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.80 2kc0 s ALA 53 Cb 0.00 -1.87 0.05 0.00 0.00 0.00 0.00 23.12 21.30 2kc0 s ALA 53 CO 0.00 0.56 0.54 -1.83 0.00 0.00 0.00 175.76 175.02 2kc0 s GLU 54 N -3.12 0.86 0.16 0.00 -1.05 -1.26 -1.30 118.70 112.99 2kc0 s GLU 54 Ca 0.36 0.19 0.03 0.00 -0.15 0.00 0.00 54.97 55.40 2kc0 s GLU 54 Cb -0.11 0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 2kc0 s GLU 54 CO 0.28 -0.24 -0.04 0.15 0.95 0.00 0.00 175.26 176.37 2kc0 s LYS 55 N -0.99 1.09 -0.01 -4.83 -0.14 0.43 -4.98 119.74 110.31 2kc0 s LYS 55 Ca -0.10 -1.50 0.01 0.00 -1.36 0.00 0.00 55.97 53.02 2kc0 s LYS 55 Cb -0.02 -0.40 -0.04 0.00 -1.68 0.00 0.00 37.83 35.69 2kc0 s LYS 55 CO 0.07 -0.05 0.02 0.99 -0.76 0.00 0.00 175.35 175.61 2kc0 s THR 56 N -3.53 4.30 0.08 2.17 2.01 -1.26 -0.61 115.64 118.80 2kc0 s THR 56 Ca 0.21 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.67 2kc0 s THR 56 Cb 0.05 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2kc0 s THR 56 CO 0.02 0.38 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.99 2kc0 s TYR 57 N -1.10 0.72 0.00 4.92 2.02 -0.07 -4.97 117.35 118.87 2kc0 s TYR 57 Ca 0.20 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 2kc0 s TYR 57 Cb -0.12 -0.46 0.00 0.00 -0.40 0.00 0.00 41.96 40.99 2kc0 s TYR 57 CO 0.11 -0.31 0.00 0.41 -1.57 0.00 0.00 175.55 174.19 2kc0 n GLY 58 N 0.02 1.06 2.44 0.71 0.00 -1.26 -1.52 105.19 106.63 2kc0 n GLY 58 Ca -0.12 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 2kc0 n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kc0 n ASN 59 N 0.00 -5.32 -0.21 1.61 5.15 -1.21 -4.70 115.26 110.58 2kc0 n ASN 59 Ca 0.00 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 2kc0 n ASN 59 Cb 0.00 -4.57 0.00 0.00 -0.53 0.00 0.00 39.78 34.68 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 -0.69 -1.54 3.52 8.20 0.00 -1.26 -4.95 105.19 108.47 2kc0 n GLY 60 Ca -0.21 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 2kc0 n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kc0 s ASP 61 N -0.18 0.45 0.24 1.61 1.01 -1.26 -4.94 116.67 113.60 2kc0 s ASP 61 Ca 0.00 -1.27 0.09 0.00 0.71 0.00 0.00 52.55 52.09 2kc0 s ASP 61 Cb 0.00 0.62 -0.04 0.00 1.01 0.00 0.00 42.92 44.51 2kc0 s ASP 61 CO 0.00 -1.23 -0.03 -0.94 0.21 0.00 0.00 175.17 173.18 2kc0 s SER 62 N -3.15 4.46 -0.04 0.27 1.04 -1.26 -0.69 113.70 114.34 2kc0 s SER 62 Ca 0.28 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 56.10 2kc0 s SER 62 Cb -0.00 -0.81 0.01 0.00 0.10 0.00 0.00 66.02 65.32 2kc0 s SER 62 CO 0.15 0.03 -0.09 -0.22 0.98 0.00 0.00 173.24 174.09 2kc0 s LEU 63 N -3.44 1.66 -0.05 2.42 2.96 -0.17 -4.99 118.68 117.07 2kc0 s LEU 63 Ca 0.30 -0.21 -0.28 0.00 -0.22 0.00 0.00 54.13 53.72 2kc0 s LEU 63 Cb -0.07 -0.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 2kc0 s LEU 63 CO 0.19 0.04 0.90 0.20 -1.32 0.00 0.00 176.35 176.35 2kc0 s ASN 64 N 0.45 7.22 0.00 3.68 0.01 -1.26 -0.76 114.94 124.28 2kc0 s ASN 64 Ca -0.08 1.48 0.00 0.00 -0.71 0.00 0.00 52.86 53.55 2kc0 s ASN 64 Cb -0.12 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.03 2kc0 s ASN 64 CO 0.01 -0.27 0.00 0.35 -1.51 0.00 0.00 177.10 175.69 2kc0 n THR 65 N 4.05 0.00 0.00 1.60 -2.24 -0.18 -4.88 114.28 112.63 2kc0 n THR 65 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2kc0 n THR 65 Cb 0.51 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 2kc0 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kc0 n GLY 66 N 1.51 0.64 3.43 3.38 0.00 0.17 -4.27 105.19 110.05 2kc0 n GLY 66 Ca 0.00 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2kc0 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kc0 s LYS 67 N 0.00 3.58 0.00 1.61 2.20 -1.26 -4.77 119.74 121.10 2kc0 s LYS 67 Ca 0.00 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2kc0 s LYS 67 Cb 0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 2kc0 s LYS 67 CO 0.00 0.03 0.00 1.28 -0.36 0.00 0.00 175.35 176.30 2kc0 n LEU 68 N 4.19 0.00 -3.97 5.43 4.32 -1.26 -5.14 117.00 120.56 2kc0 n LEU 68 Ca -0.17 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.59 2kc0 n LEU 68 Cb 0.52 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.15 2kc0 n LEU 68 CO 0.31 0.00 -0.44 -0.75 -1.22 0.00 0.00 177.39 175.29 2kc0 s LYS 69 N 4.36 1.33 0.00 3.23 2.36 -1.26 -5.08 119.74 124.69 2kc0 s LYS 69 Ca 0.00 -0.29 0.00 0.00 -2.55 0.00 0.00 55.97 53.13 2kc0 s LYS 69 Cb 0.00 -1.16 0.00 0.00 -1.05 0.00 0.00 37.83 35.62 2kc0 s LYS 69 CO 0.00 -0.01 0.00 0.09 1.55 0.00 0.00 175.35 176.98 2kc0 n ASN 70 N 3.87 0.00 -3.37 1.43 3.02 -1.26 -4.24 115.26 114.71 2kc0 n ASN 70 Ca -0.24 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.16 2kc0 n ASN 70 Cb 0.51 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.60 2kc0 n ASN 70 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kc0 s ASP 71 N -1.42 1.32 0.12 6.41 2.15 -1.26 -4.22 116.67 119.77 2kc0 s ASP 71 Ca 0.00 -0.89 -0.05 0.00 0.43 0.00 0.00 52.55 52.04 2kc0 s ASP 71 Cb 0.00 0.63 -0.02 0.00 -0.30 0.00 0.00 42.92 43.23 2kc0 s ASP 71 CO 0.00 -0.35 0.14 -1.59 -0.17 0.00 0.00 175.17 173.20 2kc0 s LYS 72 N 2.18 0.93 -0.27 4.34 -2.85 -0.55 -4.98 119.74 118.53 2kc0 s LYS 72 Ca 0.11 -1.21 -0.20 0.00 -1.00 0.00 0.00 55.97 53.68 2kc0 s LYS 72 Cb -0.14 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 35.91 2kc0 s LYS 72 CO -0.26 -0.29 0.60 0.14 0.10 0.00 0.00 175.35 175.64 2kc0 s VAL 73 N -3.96 5.00 -0.03 1.79 -7.23 -1.26 -0.27 120.40 114.43 2kc0 s VAL 73 Ca 0.15 1.01 -0.27 0.00 -1.81 0.00 0.00 61.98 61.05 2kc0 s VAL 73 Cb 0.06 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 2kc0 s VAL 73 CO -0.04 0.01 0.86 -0.44 -0.31 0.00 0.00 175.10 175.19 2kc0 s SER 74 N 1.53 7.20 -0.09 4.85 0.01 0.63 -4.91 113.70 122.92 2kc0 s SER 74 Ca 0.25 1.45 -0.26 0.00 1.31 0.00 0.00 55.95 58.70 2kc0 s SER 74 Cb -0.15 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 2kc0 s SER 74 CO 0.09 -0.21 0.83 0.00 0.41 0.00 0.00 173.24 174.36 2kc0 s ARG 75 N 0.98 4.41 0.07 12.44 1.70 -1.26 -1.74 118.95 135.55 2kc0 s ARG 75 Ca 0.46 1.08 0.03 0.00 -0.47 0.00 0.00 55.73 56.83 2kc0 s ARG 75 Cb -0.19 -3.50 -0.03 0.00 -0.57 0.00 0.00 34.95 30.65 2kc0 s ARG 75 CO 0.23 -0.12 -0.10 -0.06 -1.08 0.00 0.00 175.30 174.17 2kc0 s PHE 76 N 1.40 0.94 -0.05 5.89 0.08 -0.92 -4.92 117.98 120.40 2kc0 s PHE 76 Ca 0.42 -0.56 0.04 0.00 0.12 0.00 0.00 56.93 56.94 2kc0 s PHE 76 Cb -0.18 -0.54 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 2kc0 s PHE 76 CO 0.18 -0.03 -0.14 0.34 -0.10 0.00 0.00 175.22 175.48 2kc0 s ASP 77 N -1.96 4.05 0.10 1.36 -1.08 -0.66 -1.84 116.67 116.64 2kc0 s ASP 77 Ca -0.02 -0.19 -0.10 0.00 -0.52 0.00 0.00 52.55 51.72 2kc0 s ASP 77 Cb -0.07 -0.86 0.00 0.00 -1.46 0.00 0.00 42.92 40.54 2kc0 s ASP 77 CO 0.00 0.35 0.23 0.72 0.52 0.00 0.00 175.17 176.99 2kc0 s PHE 78 N -0.74 0.11 -0.03 -5.34 -0.12 -1.01 -0.72 117.98 110.13 2kc0 s PHE 78 Ca 0.12 -0.51 0.04 0.00 -0.05 0.00 0.00 56.93 56.53 2kc0 s PHE 78 Cb -0.11 -0.00 -0.01 0.00 -0.63 0.00 0.00 43.02 42.27 2kc0 s PHE 78 CO 0.01 -0.58 -0.16 0.96 -0.05 0.00 0.00 175.22 175.40 2kc0 s ILE 79 N -3.86 1.27 -0.09 -4.49 -4.36 -0.65 -2.62 121.20 106.40 2kc0 s ILE 79 Ca 0.05 -0.65 0.02 0.00 -0.26 0.00 0.00 60.65 59.81 2kc0 s ILE 79 Cb 0.04 -1.07 0.01 0.00 1.25 0.00 0.00 42.46 42.69 2kc0 s ILE 79 CO -0.11 0.36 -0.15 -0.60 0.24 0.00 0.00 174.94 174.69 2kc0 s ARG 80 N -0.14 2.12 -0.00 0.37 3.52 0.24 -1.15 118.95 123.91 2kc0 s ARG 80 Ca 0.01 -0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 55.06 2kc0 s ARG 80 Cb -0.09 -1.74 -0.00 0.00 -1.56 0.00 0.00 34.95 31.56 2kc0 s ARG 80 CO 0.01 0.01 0.01 -1.14 -0.81 0.00 0.00 175.30 173.38 2kc0 s GLN 81 N 0.75 0.12 0.08 5.12 0.74 0.38 -1.69 119.66 125.15 2kc0 s GLN 81 Ca -0.12 -0.16 -0.17 0.00 0.05 0.00 0.00 55.36 54.96 2kc0 s GLN 81 Cb -0.16 0.05 0.04 0.00 1.10 0.00 0.00 33.01 34.03 2kc0 s GLN 81 CO 0.02 -0.02 0.41 -1.50 -0.55 0.00 0.00 175.29 173.65 2kc0 s ILE 82 N -0.45 0.06 -0.12 -2.34 -1.16 -1.26 -1.52 121.20 114.41 2kc0 s ILE 82 Ca -0.05 -0.51 -0.29 0.00 -0.51 0.00 0.00 60.65 59.28 2kc0 s ILE 82 Cb -0.03 -1.05 -0.01 0.00 0.61 0.00 0.00 42.46 41.98 2kc0 s ILE 82 CO -0.00 -0.28 1.01 -0.70 -2.81 0.00 0.00 174.94 172.16 2kc0 s GLU 83 N -3.05 4.40 -0.27 3.50 2.12 -1.26 -4.37 118.70 119.76 2kc0 s GLU 83 Ca -0.02 1.39 -0.05 0.00 0.36 0.00 0.00 54.97 56.65 2kc0 s GLU 83 Cb 0.00 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.84 2kc0 s GLU 83 CO -0.07 -0.36 0.03 0.08 -0.54 0.00 0.00 175.26 174.40 2kc0 s VAL 84 N 2.19 3.66 -1.30 3.70 1.01 -0.28 -4.49 120.40 124.90 2kc0 s VAL 84 Ca 0.48 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2kc0 s VAL 84 Cb -0.18 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.39 2kc0 s VAL 84 CO 0.16 0.19 0.16 0.47 0.00 0.00 0.00 175.10 176.08 2kc0 n ASP 85 N 4.82 -4.55 0.00 3.32 9.92 -1.26 -0.73 116.55 128.06 2kc0 n ASP 85 Ca -0.16 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 2kc0 n ASP 85 Cb 0.49 -3.80 0.00 0.00 -0.64 0.00 0.00 41.12 37.16 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kc0 n GLY 86 N -1.00 0.53 3.53 0.44 0.00 -1.26 -5.06 105.19 102.36 2kc0 n GLY 86 Ca -0.14 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.33 1.91 -0.22 1.61 -0.21 0.09 -5.10 119.66 117.41 2kc0 s GLN 87 Ca 0.00 -1.20 -0.26 0.00 0.02 0.00 0.00 55.36 53.92 2kc0 s GLN 87 Cb 0.00 -2.15 -0.00 0.00 1.00 0.00 0.00 33.01 31.86 2kc0 s GLN 87 CO 0.00 0.47 0.88 -1.17 -2.12 0.00 0.00 175.29 173.35 2kc0 s LEU 88 N -2.39 4.11 -0.04 2.90 1.98 -1.26 -1.12 118.68 122.86 2kc0 s LEU 88 Ca 0.21 1.16 0.07 0.00 -2.89 0.00 0.00 54.13 52.67 2kc0 s LEU 88 Cb -0.10 -3.29 -0.02 0.00 0.66 0.00 0.00 46.19 43.45 2kc0 s LEU 88 CO 0.12 -0.53 -0.25 -0.63 -1.89 0.00 0.00 176.35 173.18 2kc0 s ILE 89 N 2.76 2.01 0.41 6.68 -1.09 -1.26 -5.00 121.20 125.70 2kc0 s ILE 89 Ca 0.38 -1.07 -0.24 0.00 -2.23 0.00 0.00 60.65 57.49 2kc0 s ILE 89 Cb -0.16 -1.68 -0.09 0.00 -1.58 0.00 0.00 42.46 38.96 2kc0 s ILE 89 CO 0.08 0.56 1.10 -0.89 -1.23 0.00 0.00 174.94 174.57 2kc0 s THR 90 N -0.39 3.44 0.87 2.92 2.01 -1.26 -4.77 115.64 118.47 2kc0 s THR 90 Ca 0.04 1.14 -0.10 0.00 0.31 0.00 0.00 61.69 63.07 2kc0 s THR 90 Cb -0.12 -3.61 0.12 0.00 0.01 0.00 0.00 72.50 68.90 2kc0 s THR 90 CO 0.01 0.04 1.11 -1.48 -0.69 0.00 0.00 174.62 173.62 2kc0 s LEU 91 N -2.63 2.76 0.27 4.42 -0.00 -1.26 -4.56 118.68 117.68 2kc0 s LEU 91 Ca 0.58 1.95 0.10 0.00 -0.00 0.00 0.00 54.13 56.76 2kc0 s LEU 91 Cb -0.26 -4.43 -0.04 0.00 -0.00 0.00 0.00 46.19 41.45 2kc0 s LEU 91 CO 0.32 -2.72 -0.01 -1.83 -0.00 0.00 0.00 176.35 172.12 2kc0 s GLU 92 N -4.76 2.26 -0.06 1.48 4.04 -0.68 -4.67 118.70 116.31 2kc0 s GLU 92 Ca 0.64 -1.45 -0.19 0.00 0.04 0.00 0.00 54.97 54.01 2kc0 s GLU 92 Cb -0.20 -2.13 0.04 0.00 0.02 0.00 0.00 34.13 31.85 2kc0 s GLU 92 CO 0.57 0.34 0.44 -1.54 -1.84 0.00 0.00 175.26 173.24 2kc0 s SER 93 N -3.68 -0.37 0.00 0.83 1.04 -1.01 -0.59 113.70 109.92 2kc0 s SER 93 Ca 0.32 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.17 2kc0 s SER 93 Cb -0.06 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2kc0 s SER 93 CO 0.20 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2kc0 n GLY 94 N 1.51 1.43 3.53 7.32 0.00 -1.08 -3.01 105.19 114.89 2kc0 n GLY 94 Ca -0.19 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 2kc0 n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kc0 s GLU 95 N -1.45 3.36 -0.65 1.61 2.02 -0.10 -2.40 118.70 121.09 2kc0 s GLU 95 Ca 0.00 -0.21 -0.28 0.00 0.02 0.00 0.00 54.97 54.50 2kc0 s GLU 95 Cb 0.00 -3.94 0.03 0.00 0.10 0.00 0.00 34.13 30.31 2kc0 s GLU 95 CO 0.00 -1.07 1.28 0.12 0.02 0.00 0.00 175.26 175.62 2kc0 s PHE 96 N 3.09 2.38 -0.34 1.61 5.36 -0.77 -1.10 117.98 128.21 2kc0 s PHE 96 Ca 0.27 0.22 -0.12 0.00 -0.96 0.00 0.00 56.93 56.34 2kc0 s PHE 96 Cb -0.13 -4.54 -0.01 0.00 -0.34 0.00 0.00 43.02 38.00 2kc0 s PHE 96 CO 0.21 -1.89 0.23 -1.14 -1.46 0.00 0.00 175.22 171.18 2kc0 s GLN 97 N 5.45 3.38 -0.31 10.12 2.00 -0.50 -2.17 119.66 137.64 2kc0 s GLN 97 Ca 0.41 -0.72 0.03 0.00 -2.00 0.00 0.00 55.36 53.08 2kc0 s GLN 97 Cb -0.08 -3.78 0.08 0.00 0.80 0.00 0.00 33.01 30.02 2kc0 s GLN 97 CO 0.20 -0.49 -0.01 0.08 -0.50 0.00 0.00 175.29 174.58 2kc0 s VAL 98 N 1.69 2.35 0.13 1.34 1.01 -0.71 -1.21 120.40 125.00 2kc0 s VAL 98 Ca 0.06 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 59.78 2kc0 s VAL 98 Cb -0.18 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 2kc0 s VAL 98 CO 0.10 -0.33 0.97 -0.47 0.00 0.00 0.00 175.10 175.37 2kc0 s TYR 99 N 1.03 3.82 -0.15 5.22 6.14 0.31 -0.27 117.35 133.45 2kc0 s TYR 99 Ca 0.01 1.80 -0.00 0.00 0.64 0.00 0.00 57.07 59.52 2kc0 s TYR 99 Cb -0.20 -3.06 0.04 0.00 0.42 0.00 0.00 41.96 39.16 2kc0 s TYR 99 CO -0.06 0.19 -0.07 0.21 0.64 0.00 0.00 175.55 176.46 2kc0 s LYS 100 N -0.17 1.56 0.02 4.97 2.36 0.63 -1.85 119.74 127.24 2kc0 s LYS 100 Ca 0.46 -0.46 0.00 0.00 -2.55 0.00 0.00 55.97 53.43 2kc0 s LYS 100 Cb -0.24 -1.91 -0.00 0.00 -1.05 0.00 0.00 37.83 34.63 2kc0 s LYS 100 CO 0.30 -0.37 0.00 1.04 1.55 0.00 0.00 175.35 177.88 2kc0 n GLN 101 N 4.88 1.61 -2.38 4.03 6.02 -0.68 -1.49 117.38 129.37 2kc0 n GLN 101 Ca -0.13 -0.14 -0.38 0.00 -0.01 0.00 0.00 57.00 56.34 2kc0 n GLN 101 Cb 0.49 0.05 -0.03 0.00 1.02 0.00 0.00 30.24 31.77 2kc0 n GLN 101 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kc0 s SER 102 N -1.11 6.59 0.00 1.08 0.01 -1.26 -4.15 113.70 114.86 2kc0 s SER 102 Ca 0.00 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.49 2kc0 s SER 102 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2kc0 s SER 102 CO 0.00 -0.62 0.00 1.41 0.41 0.00 0.00 173.24 174.44 2kc0 n HIS 103 N 0.01 0.00 -3.61 2.43 8.25 -1.26 -4.81 115.22 116.22 2kc0 n HIS 103 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 2kc0 n HIS 103 Cb 0.48 -0.96 -0.05 0.00 1.12 0.00 0.00 29.99 30.57 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 -1.17 -0.33 -0.10 0.41 1.04 -1.26 -2.14 113.70 110.15 2kc0 s SER 104 Ca 0.00 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.10 2kc0 s SER 104 Cb 0.00 0.47 0.12 0.00 0.10 0.00 0.00 66.02 66.71 2kc0 s SER 104 CO 0.00 -0.75 0.97 0.00 0.98 0.00 0.00 173.24 174.45 2kc0 s ALA 105 N -2.89 -1.90 0.03 5.32 0.00 -0.58 -1.69 121.76 120.05 2kc0 s ALA 105 Ca -0.03 1.36 -0.10 0.00 0.00 0.00 0.00 51.96 53.19 2kc0 s ALA 105 Cb -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2kc0 s ALA 105 CO -0.05 -0.49 0.22 -0.48 0.00 0.00 0.00 175.76 174.95 2kc0 s LEU 106 N -1.78 1.27 0.26 0.00 0.05 -0.77 -1.63 118.68 116.08 2kc0 s LEU 106 Ca 0.02 -0.28 0.08 0.00 0.05 0.00 0.00 54.13 54.00 2kc0 s LEU 106 Cb -0.01 1.01 -0.04 0.00 -2.05 0.00 0.00 46.19 45.11 2kc0 s LEU 106 CO -0.03 -0.54 0.10 0.28 -0.55 0.00 0.00 176.35 175.61 2kc0 s THR 107 N -2.32 3.92 0.11 5.48 -1.32 -1.24 -0.53 115.64 119.74 2kc0 s THR 107 Ca -0.07 -1.66 -0.06 0.00 -1.21 0.00 0.00 61.69 58.69 2kc0 s THR 107 Cb -0.02 -3.12 -0.02 0.00 -1.51 0.00 0.00 72.50 67.83 2kc0 s THR 107 CO -0.02 -0.36 0.15 0.00 -2.21 0.00 0.00 174.62 172.18 2kc0 s ALA 108 N -2.24 0.15 -0.01 11.08 0.00 -0.35 -0.72 121.76 129.67 2kc0 s ALA 108 Ca 0.32 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.36 2kc0 s ALA 108 Cb -0.07 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 2kc0 s ALA 108 CO 0.22 -0.52 -0.04 -0.06 0.00 0.00 0.00 175.76 175.37 2kc0 s PHE 109 N -3.93 2.98 -0.40 0.00 0.40 -0.26 -1.40 117.98 115.37 2kc0 s PHE 109 Ca 0.12 0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.54 2kc0 s PHE 109 Cb 0.05 -1.66 0.20 0.00 0.51 0.00 0.00 43.02 42.13 2kc0 s PHE 109 CO -0.06 0.41 0.43 1.04 0.70 0.00 0.00 175.22 177.74 2kc0 n GLN 110 N 1.62 0.41 -3.34 0.44 6.02 -0.26 -2.90 117.38 119.36 2kc0 n GLN 110 Ca -0.16 -3.15 -0.33 0.00 -0.01 0.00 0.00 57.00 53.35 2kc0 n GLN 110 Cb 0.53 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.25 2kc0 n GLN 110 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2kc0 s THR 111 N -0.41 4.85 -0.03 5.09 -1.32 -1.14 -0.93 115.64 121.75 2kc0 s THR 111 Ca 0.34 0.70 -0.00 0.00 -1.21 0.00 0.00 61.69 61.52 2kc0 s THR 111 Cb 0.09 -3.67 -0.02 0.00 -1.51 0.00 0.00 72.50 67.40 2kc0 s THR 111 CO -0.16 0.03 -0.03 -0.62 -2.21 0.00 0.00 174.62 171.63 2kc0 n GLU 112 N 0.19 0.07 -4.07 7.08 1.02 -1.17 -1.31 120.64 122.45 2kc0 n GLU 112 Ca -0.01 0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.83 2kc0 n GLU 112 Cb 0.52 -0.99 -0.15 0.00 -0.02 0.00 0.00 31.44 30.80 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 -2.06 2.46 0.00 3.49 -0.21 -1.26 -1.30 119.66 120.78 2kc0 s GLN 113 Ca -0.04 -1.09 -0.01 0.00 0.02 0.00 0.00 55.36 54.24 2kc0 s GLN 113 Cb 0.01 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 2kc0 s GLN 113 CO 0.07 -0.42 0.02 -1.50 -2.12 0.00 0.00 175.29 171.34 2kc0 s ILE 114 N 1.22 0.05 -0.34 1.08 2.07 -1.26 -2.40 121.20 121.61 2kc0 s ILE 114 Ca -0.03 -0.41 -0.18 0.00 -1.41 0.00 0.00 60.65 58.62 2kc0 s ILE 114 Cb -0.17 -0.18 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 2kc0 s ILE 114 CO -0.08 -0.23 0.51 -1.58 -1.91 0.00 0.00 174.94 171.65 2kc0 s GLN 115 N -0.68 3.66 -1.18 3.50 -0.44 -1.26 -3.75 119.66 119.51 2kc0 s GLN 115 Ca -0.07 -0.13 -0.21 0.00 -2.50 0.00 0.00 55.36 52.45 2kc0 s GLN 115 Cb -0.05 -3.79 -0.01 0.00 -1.64 0.00 0.00 33.01 27.52 2kc0 s GLN 115 CO -0.00 -0.61 1.80 -0.51 0.50 0.00 0.00 175.29 176.47 2kc0 s ASP 116 N 1.74 5.92 0.00 6.67 1.01 0.14 -4.86 116.67 127.30 2kc0 s ASP 116 Ca 0.19 -1.83 0.00 0.00 0.71 0.00 0.00 52.55 51.61 2kc0 s ASP 116 Cb -0.15 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.20 2kc0 s ASP 116 CO 0.13 -2.11 0.57 -1.54 0.21 0.00 0.00 175.17 172.43 2kc0 n SER 117 N 11.34 1.59 0.00 0.27 3.41 -1.26 -2.56 113.62 126.42 2kc0 n SER 117 Ca 0.44 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 2kc0 n SER 117 Cb 0.47 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.31 0.00 -0.04 4.33 0.28 -1.26 -4.83 120.64 120.44 2kc0 n GLU 118 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 2kc0 n GLU 118 Cb 0.19 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.93 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 0.15 0.00 -1.84 3.86 -1.91 -3.47 115.15 111.94 2kc0 h HIS 119 Ca 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2kc0 h HIS 119 Cb 0.00 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.46 2kc0 h HIS 119 CO 0.00 1.02 0.00 0.45 0.86 0.00 0.00 177.93 180.26 2kc0 n SER 120 N -4.51 0.00 -3.11 2.45 2.88 -1.23 -5.01 113.62 105.09 2kc0 n SER 120 Ca -0.11 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.21 2kc0 n SER 120 Cb 0.54 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.53 3.56 0.46 0.00 -1.06 -4.97 105.19 102.66 2kc0 n GLY 121 Ca 0.00 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.80 1.91 -0.01 1.61 -0.14 -1.18 -4.83 119.74 111.31 2kc0 s LYS 122 Ca 0.34 -2.14 0.04 0.00 -1.36 0.00 0.00 55.97 52.84 2kc0 s LYS 122 Cb -0.15 -1.01 -0.01 0.00 -1.68 0.00 0.00 37.83 34.97 2kc0 s LYS 122 CO 0.42 -0.32 -0.11 0.00 -0.76 0.00 0.00 175.35 174.58 2kc0 s MET 123 N -3.80 0.92 -0.20 1.68 0.23 -1.26 0.28 119.30 117.15 2kc0 s MET 123 Ca 0.25 -0.42 -0.07 0.00 -1.03 0.00 0.00 55.69 54.41 2kc0 s MET 123 Cb 0.05 -0.89 0.09 0.00 -1.53 0.00 0.00 34.83 32.55 2kc0 s MET 123 CO 0.13 0.24 0.43 0.54 -2.03 0.00 0.00 175.02 174.33 2kc0 s VAL 124 N -0.30 -0.58 0.14 5.16 0.11 -1.25 -4.99 120.40 118.70 2kc0 s VAL 124 Ca 0.04 0.15 -0.34 0.00 -2.93 0.00 0.00 61.98 58.91 2kc0 s VAL 124 Cb -0.05 -0.67 -0.13 0.00 -1.53 0.00 0.00 36.38 34.00 2kc0 s VAL 124 CO -0.00 0.06 1.63 0.00 -3.33 0.00 0.00 175.10 173.46 2kc0 n ALA 125 N 5.25 1.53 -3.67 1.54 0.00 -1.26 -4.61 120.51 119.28 2kc0 n ALA 125 Ca -0.10 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.55 2kc0 n ALA 125 Cb 0.50 -2.39 -0.17 0.00 0.00 0.00 0.00 19.45 17.39 2kc0 n ALA 125 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kc0 s LYS 126 N 1.29 0.78 -1.35 0.00 3.01 -0.42 -5.00 119.74 118.05 2kc0 s LYS 126 Ca 0.80 -0.05 -0.15 0.00 -1.01 0.00 0.00 55.97 55.56 2kc0 s LYS 126 Cb -0.65 -0.89 -0.00 0.00 -1.01 0.00 0.00 37.83 35.28 2kc0 s LYS 126 CO 0.38 -0.14 2.24 0.54 0.51 0.00 0.00 175.35 178.88 2kc0 n ARG 127 N 4.35 2.69 -2.61 1.68 1.74 -1.26 -4.31 116.66 118.94 2kc0 n ARG 127 Ca -0.20 -2.42 -0.41 0.00 -0.77 0.00 0.00 57.85 54.04 2kc0 n ARG 127 Cb 0.51 -3.17 -0.03 0.00 -1.02 0.00 0.00 32.46 28.74 2kc0 n ARG 127 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2kc0 s GLN 128 N 3.41 3.45 -0.10 5.56 -0.44 -0.43 -4.91 119.66 126.20 2kc0 s GLN 128 Ca 0.50 -0.93 -0.05 0.00 -2.50 0.00 0.00 55.36 52.39 2kc0 s GLN 128 Cb 0.14 -4.93 -0.04 0.00 -1.64 0.00 0.00 33.01 26.55 2kc0 s GLN 128 CO -0.05 -2.13 0.07 -0.59 0.50 0.00 0.00 175.29 173.09 2kc0 s PHE 129 N 4.90 3.38 0.09 1.67 -0.71 -1.26 -2.89 117.98 123.15 2kc0 s PHE 129 Ca 0.40 0.36 -0.10 0.00 -1.04 0.00 0.00 56.93 56.56 2kc0 s PHE 129 Cb -0.04 -1.87 0.00 0.00 -1.21 0.00 0.00 43.02 39.91 2kc0 s PHE 129 CO -0.02 0.60 0.22 1.03 -1.34 0.00 0.00 175.22 175.71 2kc0 s ARG 130 N -0.93 0.85 0.77 1.99 1.81 -1.14 -4.96 118.95 117.33 2kc0 s ARG 130 Ca 0.14 -0.89 -0.11 0.00 -1.72 0.00 0.00 55.73 53.15 2kc0 s ARG 130 Cb -0.12 0.35 0.05 0.00 -0.45 0.00 0.00 34.95 34.79 2kc0 s ARG 130 CO 0.03 -0.28 1.09 -1.50 -0.68 0.00 0.00 175.30 173.96 2kc0 s ILE 131 N -3.69 3.35 0.17 1.52 1.10 -1.26 -1.10 121.20 121.29 2kc0 s ILE 131 Ca 0.03 0.44 0.01 0.00 -0.51 0.00 0.00 60.65 60.62 2kc0 s ILE 131 Cb 0.04 -3.16 0.01 0.00 0.15 0.00 0.00 42.46 39.49 2kc0 s ILE 131 CO -0.10 -0.57 0.07 0.61 -2.11 0.00 0.00 174.94 172.84 2kc0 n GLY 132 N -2.00 3.43 3.83 1.50 0.00 0.10 -4.73 105.19 107.33 2kc0 n GLY 132 Ca 0.07 -2.23 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.96 5.63 -0.04 1.61 -1.08 -1.26 -4.79 116.67 114.78 2kc0 s ASP 133 Ca 0.05 1.58 0.05 0.00 -0.52 0.00 0.00 52.55 53.72 2kc0 s ASP 133 Cb -0.00 -2.49 -0.02 0.00 -1.46 0.00 0.00 42.92 38.94 2kc0 s ASP 133 CO 0.03 -1.27 -0.19 -0.63 0.52 0.00 0.00 175.17 173.63 2kc0 s ILE 134 N -3.04 2.61 -0.06 4.11 1.01 -1.26 -3.59 121.20 120.97 2kc0 s ILE 134 Ca 0.58 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 60.39 2kc0 s ILE 134 Cb -0.13 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 2kc0 s ILE 134 CO 0.53 0.58 -0.25 0.00 0.00 0.00 0.00 174.94 175.81 2kc0 s ALA 135 N -0.61 2.15 -0.29 9.38 0.00 -0.64 -5.05 121.76 126.69 2kc0 s ALA 135 Ca 0.09 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 2kc0 s ALA 135 Cb -0.11 -0.69 0.19 0.00 0.00 0.00 0.00 23.12 22.51 2kc0 s ALA 135 CO 0.00 0.39 1.42 0.20 0.00 0.00 0.00 175.76 177.77 2kc0 s GLY 136 N -0.07 0.30 -1.04 0.00 0.00 -1.26 -1.53 107.32 103.71 2kc0 s GLY 136 Ca -0.06 3.40 -0.23 0.00 0.00 0.00 0.00 44.72 47.82 2kc0 s GLY 136 CO 0.05 1.81 1.82 -0.54 0.00 0.00 0.00 173.10 176.24 2kc0 s GLU 137 N -0.13 2.90 0.17 2.90 2.02 -0.91 -4.97 118.70 120.68 2kc0 s GLU 137 Ca 0.07 -0.86 -0.34 0.00 0.02 0.00 0.00 54.97 53.87 2kc0 s GLU 137 Cb -0.04 -5.22 -0.14 0.00 0.10 0.00 0.00 34.13 28.82 2kc0 s GLU 137 CO -0.14 -3.18 1.48 0.72 0.02 0.00 0.00 175.26 174.16 2kc0 n HIS 138 N 12.48 2.10 -5.04 1.61 8.25 -1.26 -2.50 115.22 130.85 2kc0 n HIS 138 Ca 0.41 0.38 -0.32 0.00 -0.26 0.00 0.00 57.72 57.93 2kc0 n HIS 138 Cb 0.48 -2.48 -0.15 0.00 1.12 0.00 0.00 29.99 28.96 2kc0 n HIS 138 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2kc0 s THR 139 N 0.57 2.63 0.16 1.59 -1.32 -1.24 -4.89 115.64 113.14 2kc0 s THR 139 Ca 0.77 -0.86 -0.31 0.00 -1.21 0.00 0.00 61.69 60.07 2kc0 s THR 139 Cb -0.72 -2.01 -0.11 0.00 -1.51 0.00 0.00 72.50 68.15 2kc0 s THR 139 CO 0.43 0.57 1.75 -0.44 -2.21 0.00 0.00 174.62 174.72 2kc0 s SER 140 N -0.34 6.42 0.48 8.08 0.01 -1.25 -4.32 113.70 122.78 2kc0 s SER 140 Ca 0.02 2.79 0.30 0.00 1.31 0.00 0.00 55.95 60.37 2kc0 s SER 140 Cb -0.13 -2.58 1.12 0.00 0.21 0.00 0.00 66.02 64.64 2kc0 s SER 140 CO 0.02 -0.97 1.88 2.19 0.41 0.00 0.00 173.24 176.77 2kc0 h PHE 141 N 7.60 0.00 0.00 2.43 -5.15 -1.89 -2.96 116.94 116.96 2kc0 h PHE 141 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 2kc0 h PHE 141 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 2kc0 h PHE 141 CO 0.71 0.00 0.00 -3.47 -2.00 0.00 0.00 178.31 173.55 2kc0 n ASP 142 N -2.94 0.00 -0.19 -0.68 2.03 -1.26 -1.61 116.55 111.91 2kc0 n ASP 142 Ca 0.02 0.21 0.04 0.00 0.52 0.00 0.00 54.79 55.58 2kc0 n ASP 142 Cb 0.34 -0.31 -0.00 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.31 2.27 -3.35 -0.67 4.76 -1.12 -4.98 118.16 113.76 2kc0 n LYS 143 Ca 0.04 -0.53 -0.32 0.00 -2.87 0.00 0.00 58.31 54.62 2kc0 n LYS 143 Cb 0.07 -1.03 -0.06 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 -1.57 4.14 0.87 -0.35 1.02 -0.63 -4.93 118.68 117.22 2kc0 s LEU 144 Ca 0.07 1.01 -0.11 0.00 0.02 0.00 0.00 54.13 55.12 2kc0 s LEU 144 Cb 0.07 -3.78 0.11 0.00 0.02 0.00 0.00 46.19 42.61 2kc0 s LEU 144 CO 0.23 -0.11 1.09 -2.16 0.02 0.00 0.00 176.35 175.42 2kc0 s PRO 145 N -2.86 1.51 -0.33 1.29 0.04 -1.26 -5.00 135.00 128.39 2kc0 s PRO 145 Ca 0.49 0.87 0.07 0.00 0.04 0.00 0.00 61.00 62.46 2kc0 s PRO 145 Cb -0.11 -1.83 0.46 0.00 0.04 0.00 0.00 34.50 33.06 2kc0 s PRO 145 CO 0.20 -2.08 1.33 -1.91 0.04 0.00 0.00 177.00 174.58 2kc0 n GLU 146 N -3.78 3.07 -3.58 4.56 2.13 -1.26 -4.81 120.64 116.97 2kc0 n GLU 146 Ca 0.07 -3.86 -0.08 0.00 0.66 0.00 0.00 57.16 53.95 2kc0 n GLU 146 Cb 0.55 -2.15 -0.04 0.00 0.27 0.00 0.00 31.44 30.07 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 -3.23 -0.25 0.00 8.31 0.00 -1.16 -4.23 107.32 106.76 2kc0 s GLY 147 Ca 0.50 1.95 0.00 0.00 0.00 0.00 0.00 44.72 47.18 2kc0 s GLY 147 CO 0.02 0.89 0.00 0.61 0.00 0.00 0.00 173.10 174.62 2kc0 n GLY 148 N 0.48 -0.86 3.28 0.20 0.00 -1.26 -4.41 105.19 102.62 2kc0 n GLY 148 Ca -0.08 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.74 1.13 0.01 1.61 1.70 -1.26 -0.28 118.95 120.12 2kc0 s ARG 149 Ca 0.00 -1.15 0.01 0.00 -0.47 0.00 0.00 55.73 54.12 2kc0 s ARG 149 Cb 0.00 -1.39 -0.01 0.00 -0.57 0.00 0.00 34.95 32.98 2kc0 s ARG 149 CO 0.00 0.32 -0.05 0.00 -1.08 0.00 0.00 175.30 174.50 2kc0 s ALA 150 N -1.15 0.39 0.03 7.88 0.00 -0.60 -4.98 121.76 123.33 2kc0 s ALA 150 Ca 0.06 -0.32 -0.08 0.00 0.00 0.00 0.00 51.96 51.62 2kc0 s ALA 150 Cb -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2kc0 s ALA 150 CO 0.04 0.05 0.32 -0.08 0.00 0.00 0.00 175.76 176.10 2kc0 s THR 151 N -0.42 5.21 -0.01 0.00 -1.32 -1.26 -2.09 115.64 115.74 2kc0 s THR 151 Ca -0.02 0.31 -0.06 0.00 -1.21 0.00 0.00 61.69 60.71 2kc0 s THR 151 Cb -0.04 -3.60 0.00 0.00 -1.51 0.00 0.00 72.50 67.35 2kc0 s THR 151 CO -0.00 0.35 0.13 -0.31 -2.21 0.00 0.00 174.62 172.58 2kc0 s TYR 152 N -1.33 -0.00 -0.02 9.09 2.02 -0.17 -4.55 117.35 122.39 2kc0 s TYR 152 Ca 0.29 -0.00 -0.00 0.00 -0.37 0.00 0.00 57.07 56.99 2kc0 s TYR 152 Cb -0.14 -0.03 0.02 0.00 -0.40 0.00 0.00 41.96 41.42 2kc0 s TYR 152 CO 0.17 -0.22 0.03 0.50 -1.57 0.00 0.00 175.55 174.46 2kc0 s ARG 153 N -0.96 -0.01 0.24 -0.62 3.00 -1.24 -1.21 118.95 118.14 2kc0 s ARG 153 Ca -0.11 0.14 -0.00 0.00 -1.00 0.00 0.00 55.73 54.76 2kc0 s ARG 153 Cb -0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 34.95 34.72 2kc0 s ARG 153 CO 0.01 -0.10 0.21 0.20 0.00 0.00 0.00 175.30 175.62 2kc0 s GLY 154 N 0.67 1.54 -0.13 8.12 0.00 -0.52 -3.16 107.32 113.83 2kc0 s GLY 154 Ca -0.05 -1.69 -0.09 0.00 0.00 0.00 0.00 44.72 42.88 2kc0 s GLY 154 CO -0.02 -1.32 0.18 -1.59 0.00 0.00 0.00 173.10 170.35 2kc0 s THR 155 N -3.94 5.42 -0.22 0.90 2.01 -0.60 -2.77 115.64 116.44 2kc0 s THR 155 Ca 0.37 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.63 2kc0 s THR 155 Cb 0.05 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 2kc0 s THR 155 CO 0.15 0.55 -0.02 0.00 -0.69 0.00 0.00 174.62 174.61 2kc0 s ALA 156 N -0.53 2.88 -0.11 7.40 0.00 -1.26 -3.45 121.76 126.68 2kc0 s ALA 156 Ca 0.14 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 2kc0 s ALA 156 Cb -0.12 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.27 2kc0 s ALA 156 CO 0.03 -0.40 -0.09 -0.59 0.00 0.00 0.00 175.76 174.72 2kc0 s PHE 157 N 1.43 1.58 -0.01 0.00 -0.71 -1.22 -4.27 117.98 114.78 2kc0 s PHE 157 Ca 0.05 -0.79 -0.29 0.00 -1.04 0.00 0.00 56.93 54.87 2kc0 s PHE 157 Cb -0.14 -1.27 0.10 0.00 -1.21 0.00 0.00 43.02 40.50 2kc0 s PHE 157 CO -0.02 -0.51 0.88 0.20 -1.34 0.00 0.00 175.22 174.43 2kc0 s GLY 158 N 1.58 -0.46 -0.76 1.99 0.00 -1.26 -1.49 107.32 106.91 2kc0 s GLY 158 Ca 0.03 1.05 -0.07 0.00 0.00 0.00 0.00 44.72 45.73 2kc0 s GLY 158 CO -0.07 0.37 2.99 -1.26 0.00 0.00 0.00 173.10 175.13 2kc0 n SER 159 N -0.19 6.29 0.00 1.64 2.88 -1.26 -2.80 113.62 120.18 2kc0 n SER 159 Ca -0.09 -2.44 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 2kc0 n SER 159 Cb 0.62 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 3.18 0.00 0.00 -3.46 -0.08 -1.26 -5.08 116.55 109.85 2kc0 n ASP 160 Ca 0.55 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 2kc0 n ASP 160 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 2kc0 n ASP 160 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kc0 n ASP 161 N -0.64 0.00 -3.47 1.67 2.03 -1.12 -5.05 116.55 109.97 2kc0 n ASP 161 Ca 0.00 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 2kc0 n ASP 161 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 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 -2.20 -1.11 -0.09 -1.67 0.00 -1.24 -4.83 120.51 109.38 2kc0 n ALA 162 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2kc0 n ALA 162 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 15.91 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 -1.40 0.59 2.99 0.00 0.00 -1.26 -5.02 105.19 101.08 2kc0 n GLY 163 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.96 3.76 -0.02 0.00 -1.26 -4.86 105.19 106.76 2kc0 n GLY 164 Ca 0.00 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 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 3.03 4.62 0.21 1.61 -0.14 -1.26 -4.34 119.74 123.46 2kc0 s LYS 165 Ca 0.48 1.82 0.09 0.00 -1.36 0.00 0.00 55.97 57.00 2kc0 s LYS 165 Cb 0.10 -3.18 -0.05 0.00 -1.68 0.00 0.00 37.83 33.03 2kc0 s LYS 165 CO -0.03 0.19 -0.18 -0.48 -0.76 0.00 0.00 175.35 174.09 2kc0 s LEU 166 N -1.48 2.51 -0.11 3.17 -0.00 -1.12 -4.11 118.68 117.56 2kc0 s LEU 166 Ca 0.45 -0.95 -0.00 0.00 -0.00 0.00 0.00 54.13 53.62 2kc0 s LEU 166 Cb -0.32 -0.87 -0.02 0.00 -0.00 0.00 0.00 46.19 44.97 2kc0 s LEU 166 CO 0.42 -0.05 -0.08 -0.89 -0.00 0.00 0.00 176.35 175.75 2kc0 s THR 167 N -2.42 3.54 0.02 5.48 2.01 -0.93 -1.44 115.64 121.90 2kc0 s THR 167 Ca 0.22 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.78 2kc0 s THR 167 Cb -0.04 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2kc0 s THR 167 CO 0.09 0.55 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.89 2kc0 s TYR 168 N -0.18 2.48 -0.07 4.92 6.14 -0.35 -1.36 117.35 128.92 2kc0 s TYR 168 Ca 0.02 -0.32 -0.08 0.00 0.64 0.00 0.00 57.07 57.33 2kc0 s TYR 168 Cb -0.13 -1.47 0.02 0.00 0.42 0.00 0.00 41.96 40.80 2kc0 s TYR 168 CO 0.03 0.16 0.23 -0.08 0.64 0.00 0.00 175.55 176.53 2kc0 s THR 169 N -0.82 0.01 0.08 4.34 -1.32 0.02 -1.00 115.64 116.95 2kc0 s THR 169 Ca 0.13 -0.09 0.06 0.00 -1.21 0.00 0.00 61.69 60.58 2kc0 s THR 169 Cb -0.10 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.50 2kc0 s THR 169 CO 0.03 -0.05 -0.09 -0.51 -2.21 0.00 0.00 174.62 171.79 2kc0 s ILE 170 N -0.09 3.46 -0.39 5.08 2.07 -0.89 -0.87 121.20 129.57 2kc0 s ILE 170 Ca -0.02 -1.16 0.03 0.00 -1.41 0.00 0.00 60.65 58.09 2kc0 s ILE 170 Cb -0.02 -2.60 0.11 0.00 0.13 0.00 0.00 42.46 40.08 2kc0 s ILE 170 CO 0.01 0.16 0.11 -0.62 -1.91 0.00 0.00 174.94 172.69 2kc0 s ASP 171 N -2.07 4.72 0.57 4.50 -1.08 -0.66 -1.56 116.67 121.10 2kc0 s ASP 171 Ca 0.21 -2.33 0.33 0.00 -0.52 0.00 0.00 52.55 50.24 2kc0 s ASP 171 Cb -0.11 -1.65 1.72 0.00 -1.46 0.00 0.00 42.92 41.42 2kc0 s ASP 171 CO 0.13 -0.36 2.15 -0.26 0.52 0.00 0.00 175.17 177.35 2kc0 h PHE 172 N 7.41 0.00 0.00 -5.34 0.04 -0.89 0.19 116.94 118.36 2kc0 h PHE 172 Ca -0.05 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 2kc0 h PHE 172 Cb 1.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.14 2kc0 h PHE 172 CO 0.48 0.06 -0.02 0.00 -0.60 0.00 0.00 178.31 178.23 2kc0 h ALA 173 N 1.94 1.09 0.00 2.45 0.00 -1.71 -3.05 119.26 119.97 2kc0 h ALA 173 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kc0 h ALA 173 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kc0 h ALA 173 CO 0.01 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2kc0 n ALA 174 N -2.14 1.98 -2.73 0.00 0.00 -0.43 -4.86 120.51 112.34 2kc0 n ALA 174 Ca -0.02 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 2kc0 n ALA 174 Cb 0.15 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.65 -3.12 -5.10 0.00 4.76 0.53 -5.01 118.16 109.57 2kc0 n LYS 175 Ca 0.00 0.86 -0.32 0.00 -2.87 0.00 0.00 58.31 55.98 2kc0 n LYS 175 Cb 0.01 -5.60 -0.15 0.00 -1.84 0.00 0.00 35.03 27.45 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 -5.38 2.36 -0.19 1.97 -0.21 -1.13 -4.17 119.66 112.91 2kc0 s GLN 176 Ca 0.15 -0.82 -0.02 0.00 0.02 0.00 0.00 55.36 54.70 2kc0 s GLN 176 Cb -0.07 -2.22 -0.00 0.00 1.00 0.00 0.00 33.01 31.72 2kc0 s GLN 176 CO 0.18 0.57 -0.10 0.20 -2.12 0.00 0.00 175.29 174.02 2kc0 s GLY 177 N -0.60 1.54 0.45 3.09 0.00 0.23 -1.65 107.32 110.38 2kc0 s GLY 177 Ca 0.09 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.72 2kc0 s GLY 177 CO 0.00 0.25 0.09 0.21 0.00 0.00 0.00 173.10 173.65 2kc0 s ASN 178 N 1.17 3.31 0.00 1.64 3.84 -0.05 -1.34 114.94 123.51 2kc0 s ASN 178 Ca 0.02 -1.69 0.00 0.00 0.21 0.00 0.00 52.86 51.39 2kc0 s ASN 178 Cb -0.14 0.56 0.00 0.00 -0.55 0.00 0.00 41.25 41.12 2kc0 s ASN 178 CO -0.03 -0.93 0.00 0.61 -2.79 0.00 0.00 177.10 173.96 2kc0 n GLY 179 N -1.06 2.04 3.57 1.21 0.00 -1.26 -0.80 105.19 108.89 2kc0 n GLY 179 Ca -0.11 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.81 0.59 0.06 1.61 -2.85 -0.46 -4.17 119.74 112.71 2kc0 s LYS 180 Ca 0.00 0.02 0.09 0.00 -1.00 0.00 0.00 55.97 55.07 2kc0 s LYS 180 Cb 0.00 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 36.01 2kc0 s LYS 180 CO 0.00 -0.21 -0.22 0.42 0.10 0.00 0.00 175.35 175.44 2kc0 s ILE 181 N -1.65 2.50 -0.03 3.79 -1.09 -1.18 -2.19 121.20 121.35 2kc0 s ILE 181 Ca 0.01 -1.36 0.07 0.00 -2.23 0.00 0.00 60.65 57.14 2kc0 s ILE 181 Cb -0.01 -2.04 0.13 0.00 -1.58 0.00 0.00 42.46 38.96 2kc0 s ILE 181 CO -0.02 0.29 1.07 1.21 -1.23 0.00 0.00 174.94 176.27 2kc0 n GLU 182 N 1.48 0.12 -0.10 2.79 2.13 -1.26 -4.40 120.64 121.40 2kc0 n GLU 182 Ca -0.17 -1.28 0.06 0.00 0.66 0.00 0.00 57.16 56.43 2kc0 n GLU 182 Cb 0.52 0.35 0.11 0.00 0.27 0.00 0.00 31.44 32.69 2kc0 n GLU 182 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kc0 n HIS 183 N 0.00 0.26 -2.20 4.31 8.25 -1.26 -5.03 115.22 119.55 2kc0 n HIS 183 Ca -0.19 -0.27 -0.28 0.00 -0.26 0.00 0.00 57.72 56.72 2kc0 n HIS 183 Cb 0.81 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.95 2kc0 n HIS 183 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kc0 s LEU 184 N -1.00 3.06 0.58 2.41 2.01 -1.26 -4.76 118.68 119.72 2kc0 s LEU 184 Ca 0.20 0.81 0.35 0.00 0.01 0.00 0.00 54.13 55.50 2kc0 s LEU 184 Cb 0.12 -3.60 1.69 0.00 0.01 0.00 0.00 46.19 44.41 2kc0 s LEU 184 CO 0.16 -1.24 2.12 0.07 1.01 0.00 0.00 176.35 178.47 2kc0 h LYS 185 N -0.40 0.00 -4.54 1.70 5.09 -1.98 -3.44 116.57 113.01 2kc0 h LYS 185 Ca -0.45 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.03 2kc0 h LYS 185 Cb 1.26 0.00 -0.20 0.00 0.10 0.00 0.00 32.23 33.39 2kc0 h LYS 185 CO 0.62 0.04 -0.73 -1.12 -2.09 0.00 0.00 179.45 176.17 2kc0 s SER 186 N -5.66 0.85 0.12 7.07 0.01 -1.26 -5.10 113.70 109.72 2kc0 s SER 186 Ca -0.02 -0.61 -0.12 0.00 1.31 0.00 0.00 55.95 56.51 2kc0 s SER 186 Cb 0.11 0.05 -0.10 0.00 0.21 0.00 0.00 66.02 66.29 2kc0 s SER 186 CO 0.52 -0.25 1.38 1.55 0.41 0.00 0.00 173.24 176.85 2kc0 h PRO 187 N 4.31 0.84 0.00 12.44 0.13 -1.98 -3.12 132.00 144.62 2kc0 h PRO 187 Ca -0.35 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 2kc0 h PRO 187 Cb 1.20 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kc0 h PRO 187 CO 0.44 1.18 0.00 0.93 -0.23 0.00 0.00 178.00 180.32 2kc0 h GLU 188 N 0.61 0.00 0.00 0.86 5.08 -1.98 -0.79 114.58 118.35 2kc0 h GLU 188 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kc0 h GLU 188 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kc0 h GLU 188 CO 0.12 0.00 -0.38 -0.07 -1.00 0.00 0.00 179.01 177.68 2kc0 h LEU 189 N 0.00 0.00 -8.86 1.33 -0.00 -1.89 -3.35 115.31 102.54 2kc0 h LEU 189 Ca 0.00 -0.03 -0.57 0.00 -0.00 0.00 0.00 57.88 57.28 2kc0 h LEU 189 Cb 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.64 2kc0 h LEU 189 CO 0.00 0.01 1.11 0.20 -0.00 0.00 0.00 178.44 179.76 2kc0 s ASN 190 N -5.47 6.30 0.17 -0.43 0.02 -0.30 -4.69 114.94 110.54 2kc0 s ASN 190 Ca 0.05 1.08 0.04 0.00 -1.02 0.00 0.00 52.86 53.02 2kc0 s ASN 190 Cb 0.08 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.78 2kc0 s ASN 190 CO 0.70 -1.42 0.22 0.68 0.02 0.00 0.00 177.10 177.30 2kc0 s VAL 191 N 5.55 4.87 0.23 1.60 -7.23 -1.26 -4.90 120.40 119.26 2kc0 s VAL 191 Ca 0.66 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.57 2kc0 s VAL 191 Cb -0.17 -3.52 -0.09 0.00 0.56 0.00 0.00 36.38 33.16 2kc0 s VAL 191 CO 0.31 -0.15 0.98 -1.81 -0.31 0.00 0.00 175.10 174.12 2kc0 s ASP 192 N -3.30 7.55 -0.16 4.85 1.11 -1.26 -3.10 116.67 122.36 2kc0 s ASP 192 Ca 0.33 1.99 -0.11 0.00 0.18 0.00 0.00 52.55 54.93 2kc0 s ASP 192 Cb -0.10 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.23 2kc0 s ASP 192 CO 0.26 0.07 0.21 -0.22 1.18 0.00 0.00 175.17 176.67 2kc0 s LEU 193 N -1.05 4.27 -0.19 1.23 0.20 -1.26 -3.55 118.68 118.33 2kc0 s LEU 193 Ca 0.43 0.42 -0.29 0.00 0.69 0.00 0.00 54.13 55.38 2kc0 s LEU 193 Cb -0.27 -2.23 -0.00 0.00 -0.43 0.00 0.00 46.19 43.26 2kc0 s LEU 193 CO 0.33 0.19 1.17 0.00 -0.29 0.00 0.00 176.35 177.76 2kc0 s ALA 194 N 0.10 3.67 0.17 5.97 0.00 -0.72 -4.31 121.76 126.63 2kc0 s ALA 194 Ca 0.13 0.35 -0.34 0.00 0.00 0.00 0.00 51.96 52.11 2kc0 s ALA 194 Cb -0.12 -3.59 -0.14 0.00 0.00 0.00 0.00 23.12 19.27 2kc0 s ALA 194 CO 0.02 -1.11 1.54 0.00 0.00 0.00 0.00 175.76 176.21 2kc0 n ALA 195 N 6.46 1.18 -2.20 0.00 0.00 -1.26 -4.21 120.51 120.48 2kc0 n ALA 195 Ca 0.13 0.45 -0.12 0.00 0.00 0.00 0.00 53.44 53.90 2kc0 n ALA 195 Cb 0.45 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.48 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 0.77 1.15 0.30 0.00 0.00 -0.45 -4.93 121.76 118.59 2kc0 s ALA 196 Ca 0.78 -1.48 0.08 0.00 0.00 0.00 0.00 51.96 51.34 2kc0 s ALA 196 Cb -0.69 0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 2kc0 s ALA 196 CO 0.40 -0.31 -0.09 0.16 0.00 0.00 0.00 175.76 175.92 2kc0 s ASP 197 N -3.11 3.18 0.07 0.00 -4.77 -1.26 -0.60 116.67 110.18 2kc0 s ASP 197 Ca 0.19 -1.16 -0.31 0.00 -3.30 0.00 0.00 52.55 47.97 2kc0 s ASP 197 Cb 0.06 -0.24 -0.08 0.00 -1.09 0.00 0.00 42.92 41.57 2kc0 s ASP 197 CO 0.00 -0.24 1.60 -0.63 0.70 0.00 0.00 175.17 176.60 2kc0 s ILE 198 N -2.81 3.13 0.04 2.11 -1.09 -1.26 -3.86 121.20 117.45 2kc0 s ILE 198 Ca 0.30 0.60 -0.11 0.00 -2.23 0.00 0.00 60.65 59.20 2kc0 s ILE 198 Cb 0.02 -3.38 -0.06 0.00 -1.58 0.00 0.00 42.46 37.46 2kc0 s ILE 198 CO 0.13 0.00 0.39 -1.59 -1.23 0.00 0.00 174.94 172.65 2kc0 s LYS 199 N 2.45 3.80 0.51 2.79 -2.85 -1.03 -5.04 119.74 120.37 2kc0 s LYS 199 Ca 0.72 0.24 -0.17 0.00 -1.00 0.00 0.00 55.97 55.76 2kc0 s LYS 199 Cb -0.39 -3.09 -0.08 0.00 -2.06 0.00 0.00 37.83 32.22 2kc0 s LYS 199 CO 0.31 0.62 0.99 -1.25 0.10 0.00 0.00 175.35 176.12 2kc0 s PRO 200 N -1.56 3.90 0.00 1.78 0.04 -1.26 -4.43 135.00 133.47 2kc0 s PRO 200 Ca 0.29 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2kc0 s PRO 200 Cb -0.15 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2kc0 s PRO 200 CO 0.16 -0.32 0.00 -0.25 0.04 0.00 0.00 177.00 176.63 2kc0 n ASP 201 N -1.48 0.00 -3.80 6.66 8.00 -1.26 -5.08 116.55 119.58 2kc0 n ASP 201 Ca 0.07 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 2kc0 n ASP 201 Cb 0.54 0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 41.92 2kc0 n ASP 201 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2kc0 s GLY 202 N -0.94 -0.08 0.65 0.44 0.00 -1.26 -5.09 107.32 101.04 2kc0 s GLY 202 Ca 0.00 0.47 0.26 0.00 0.00 0.00 0.00 44.72 45.45 2kc0 s GLY 202 CO 0.00 0.54 1.79 0.07 0.00 0.00 0.00 173.10 175.49 2kc0 h LYS 203 N 6.34 0.00 -0.07 2.90 2.10 -2.02 -0.72 116.57 125.11 2kc0 h LYS 203 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 2kc0 h LYS 203 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2kc0 h LYS 203 CO 0.42 0.00 0.00 2.89 -2.00 0.00 0.00 179.45 180.76 2kc0 n ARG 204 N -3.02 1.52 -4.10 0.07 -4.01 -1.26 -4.79 116.66 101.07 2kc0 n ARG 204 Ca 0.01 -1.28 -0.29 0.00 -1.04 0.00 0.00 57.85 55.25 2kc0 n ARG 204 Cb 0.54 -1.08 -0.07 0.00 -3.04 0.00 0.00 32.46 28.81 2kc0 n ARG 204 CO 0.00 0.00 0.00 -1.01 -3.04 0.00 0.00 177.63 173.58 2kc0 s HIS 205 N -0.71 3.06 0.06 2.89 3.76 -0.28 -3.79 115.29 120.28 2kc0 s HIS 205 Ca 0.06 -0.00 -0.06 0.00 -0.15 0.00 0.00 55.06 54.90 2kc0 s HIS 205 Cb 0.03 -1.54 -0.01 0.00 1.11 0.00 0.00 32.58 32.17 2kc0 s HIS 205 CO 0.05 0.50 0.12 0.00 -0.85 0.00 0.00 174.74 174.56 2kc0 s ALA 206 N -1.44 -0.05 0.05 -1.40 0.00 -1.26 -4.56 121.76 113.10 2kc0 s ALA 206 Ca 0.28 -0.66 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 2kc0 s ALA 206 Cb -0.11 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.38 2kc0 s ALA 206 CO 0.20 -0.40 0.44 0.08 0.00 0.00 0.00 175.76 176.09 2kc0 s VAL 207 N -3.24 0.05 -0.11 0.00 1.01 -1.26 -4.61 120.40 112.22 2kc0 s VAL 207 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2kc0 s VAL 207 Cb 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2kc0 s VAL 207 CO -0.08 -0.22 -0.23 -0.63 0.00 0.00 0.00 175.10 173.95 2kc0 s ILE 208 N -2.56 2.01 -0.14 2.22 -1.09 -0.25 -2.47 121.20 118.93 2kc0 s ILE 208 Ca -0.05 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 2kc0 s ILE 208 Cb -0.01 -1.76 0.02 0.00 -1.58 0.00 0.00 42.46 39.14 2kc0 s ILE 208 CO -0.03 0.55 -0.12 -0.94 -1.23 0.00 0.00 174.94 173.17 2kc0 s SER 209 N 0.55 2.61 0.02 3.58 1.04 -1.25 -2.13 113.70 118.12 2kc0 s SER 209 Ca -0.14 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2kc0 s SER 209 Cb -0.17 -1.09 -0.00 0.00 0.10 0.00 0.00 66.02 64.86 2kc0 s SER 209 CO 0.04 -0.08 0.02 0.61 0.98 0.00 0.00 173.24 174.81 2kc0 n GLY 210 N 4.81 3.72 3.51 7.32 0.00 -0.72 -4.56 105.19 119.27 2kc0 n GLY 210 Ca -0.15 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.13 3.90 -0.21 1.61 0.01 -1.26 -0.96 113.70 115.66 2kc0 s SER 211 Ca 0.02 -0.69 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 2kc0 s SER 211 Cb 0.00 -0.52 0.06 0.00 0.21 0.00 0.00 66.02 65.77 2kc0 s SER 211 CO 0.02 0.11 0.00 -0.69 0.41 0.00 0.00 173.24 173.09 2kc0 s VAL 212 N -1.66 0.91 -0.08 3.43 1.01 -0.58 -1.76 120.40 121.66 2kc0 s VAL 212 Ca 0.23 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 2kc0 s VAL 212 Cb -0.09 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2kc0 s VAL 212 CO 0.13 -0.17 0.95 -0.22 0.00 0.00 0.00 175.10 175.78 2kc0 s LEU 213 N 1.68 4.28 -0.26 3.92 1.98 -1.23 -0.96 118.68 128.08 2kc0 s LEU 213 Ca -0.03 1.48 0.02 0.00 -2.89 0.00 0.00 54.13 52.71 2kc0 s LEU 213 Cb -0.18 -3.47 0.05 0.00 0.66 0.00 0.00 46.19 43.26 2kc0 s LEU 213 CO -0.07 -0.36 -0.10 -0.47 -1.89 0.00 0.00 176.35 173.46 2kc0 s TYR 214 N 1.65 3.21 -1.46 5.38 5.04 -0.31 -4.64 117.35 126.21 2kc0 s TYR 214 Ca 0.47 -2.13 -0.10 0.00 -2.44 0.00 0.00 57.07 52.87 2kc0 s TYR 214 Cb -0.19 -1.97 0.06 0.00 0.35 0.00 0.00 41.96 40.21 2kc0 s TYR 214 CO 0.20 -0.85 0.81 -1.71 -1.34 0.00 0.00 175.55 172.66 2kc0 n ASN 215 N 4.50 -5.01 -2.97 4.32 5.15 -1.26 -1.03 115.26 118.96 2kc0 n ASN 215 Ca -0.15 -0.56 -0.22 0.00 -0.60 0.00 0.00 54.58 53.06 2kc0 n ASN 215 Cb 0.43 -4.03 0.04 0.00 -0.53 0.00 0.00 39.78 35.70 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 -4.36 -5.12 -0.13 1.20 1.13 -1.26 -4.90 117.38 103.95 2kc0 n GLN 216 Ca -0.00 0.87 0.00 0.00 -1.94 0.00 0.00 57.00 55.92 2kc0 n GLN 216 Cb 0.55 -5.67 0.00 0.00 0.11 0.00 0.00 30.24 25.23 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 -3.68 0.00 -0.61 -1.58 0.00 -0.20 -5.18 120.51 109.26 2kc0 n ALA 217 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kc0 n ALA 217 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 -3.15 0.00 4.07 -1.25 -1.16 120.64 119.15 2kc0 n GLU 218 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 2kc0 n GLU 218 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 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 0.00 0.53 0.34 5.31 2.20 -1.26 -4.72 119.74 122.14 2kc0 s LYS 219 Ca 0.00 0.73 0.05 0.00 -0.36 0.00 0.00 55.97 56.39 2kc0 s LYS 219 Cb 0.00 0.38 0.05 0.00 -1.51 0.00 0.00 37.83 36.75 2kc0 s LYS 219 CO 0.00 -0.80 0.44 0.41 -0.36 0.00 0.00 175.35 175.04 2kc0 n GLY 220 N 5.42 2.10 3.15 5.54 0.00 -0.14 -4.03 105.19 117.23 2kc0 n GLY 220 Ca 0.02 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.09 0.31 0.05 1.61 1.04 0.35 -1.52 113.70 112.46 2kc0 s SER 221 Ca 0.33 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.91 2kc0 s SER 221 Cb -0.03 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 2kc0 s SER 221 CO 0.21 -0.67 -0.07 -0.72 0.98 0.00 0.00 173.24 172.96 2kc0 s TYR 222 N -3.91 0.70 -0.02 5.02 -0.85 -0.13 -1.38 117.35 116.77 2kc0 s TYR 222 Ca 0.08 -0.62 0.01 0.00 -0.52 0.00 0.00 57.07 56.03 2kc0 s TYR 222 Cb 0.07 -0.42 0.01 0.00 0.38 0.00 0.00 41.96 42.00 2kc0 s TYR 222 CO -0.09 -0.11 -0.05 0.45 -1.52 0.00 0.00 175.55 174.23 2kc0 s SER 223 N -1.96 0.79 0.13 -0.18 0.15 -0.19 -1.76 113.70 110.69 2kc0 s SER 223 Ca -0.05 -0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.34 2kc0 s SER 223 Cb -0.06 -0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.03 2kc0 s SER 223 CO -0.01 0.01 0.38 -1.48 1.20 0.00 0.00 173.24 173.34 2kc0 s LEU 224 N 0.40 0.51 0.35 3.45 0.05 -0.91 -1.01 118.68 121.52 2kc0 s LEU 224 Ca -0.05 -0.40 0.08 0.00 0.05 0.00 0.00 54.13 53.82 2kc0 s LEU 224 Cb -0.09 1.75 -0.07 0.00 -2.05 0.00 0.00 46.19 45.74 2kc0 s LEU 224 CO -0.00 -0.86 -0.06 -0.83 -0.55 0.00 0.00 176.35 174.05 2kc0 s GLY 225 N -2.83 2.21 -0.13 -3.48 0.00 -0.67 -1.09 107.32 101.35 2kc0 s GLY 225 Ca 0.04 -2.11 -0.03 0.00 0.00 0.00 0.00 44.72 42.62 2kc0 s GLY 225 CO -0.10 -2.01 -0.03 -0.42 0.00 0.00 0.00 173.10 170.53 2kc0 s ILE 226 N -2.71 3.99 0.23 0.90 1.01 -1.26 -3.24 121.20 120.12 2kc0 s ILE 226 Ca 0.33 -0.34 0.11 0.00 0.00 0.00 0.00 60.65 60.75 2kc0 s ILE 226 Cb 0.04 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 2kc0 s ILE 226 CO 0.16 0.53 -0.21 -0.36 0.00 0.00 0.00 174.94 175.07 2kc0 s PHE 227 N -0.10 2.18 0.00 3.97 0.08 -0.92 -3.59 117.98 119.61 2kc0 s PHE 227 Ca 0.03 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2kc0 s PHE 227 Cb -0.13 -1.01 0.00 0.00 -0.57 0.00 0.00 43.02 41.31 2kc0 s PHE 227 CO 0.02 0.56 0.00 0.41 -0.10 0.00 0.00 175.22 176.12 2kc0 n GLY 228 N -0.18 -1.88 0.22 4.36 0.00 -1.04 -1.40 105.19 105.26 2kc0 n GLY 228 Ca -0.09 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.50 2kc0 n GLY 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kc0 h GLY 229 N 0.00 0.00 0.00 -0.02 0.00 -1.99 -3.42 103.07 97.64 2kc0 h GLY 229 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kc0 h GLY 229 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 2kc0 n LYS 230 N -2.75 0.00 -2.73 4.80 4.81 -1.26 -5.01 118.16 116.02 2kc0 n LYS 230 Ca 0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.40 2kc0 n LYS 230 Cb 0.29 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.38 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 -3.25 -2.23 -0.01 3.14 0.00 -1.26 -4.87 120.51 112.04 2kc0 n ALA 231 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 2kc0 n ALA 231 Cb 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 19.45 17.38 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 4.11 -0.04 -3.50 0.00 1.08 -1.55 -3.45 115.11 111.76 2kc0 h GLN 232 Ca -0.10 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 2kc0 h GLN 232 Cb 1.10 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 28.45 2kc0 h GLN 232 CO 0.10 0.53 -0.05 -1.83 -0.95 0.00 0.00 178.83 176.63 2kc0 s GLU 233 N -3.80 1.56 -0.00 1.46 1.03 -1.25 -2.11 118.70 115.59 2kc0 s GLU 233 Ca -0.16 -1.16 0.02 0.00 0.03 0.00 0.00 54.97 53.70 2kc0 s GLU 233 Cb 0.01 0.50 -0.01 0.00 -0.80 0.00 0.00 34.13 33.83 2kc0 s GLU 233 CO 0.65 -0.66 -0.06 0.14 -1.33 0.00 0.00 175.26 174.00 2kc0 s VAL 234 N -3.98 0.47 0.14 1.83 -7.23 0.02 -2.16 120.40 109.48 2kc0 s VAL 234 Ca 0.19 -0.31 -0.14 0.00 -1.81 0.00 0.00 61.98 59.91 2kc0 s VAL 234 Cb -0.02 -0.41 0.02 0.00 0.56 0.00 0.00 36.38 36.54 2kc0 s VAL 234 CO 0.07 0.10 0.37 0.00 -0.31 0.00 0.00 175.10 175.32 2kc0 s ALA 235 N -0.22 -0.68 0.00 1.32 0.00 -1.20 -2.05 121.76 118.93 2kc0 s ALA 235 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2kc0 s ALA 235 Cb -0.03 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2kc0 s ALA 235 CO -0.00 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2kc0 n GLY 236 N -0.21 -0.74 3.43 0.00 0.00 -1.21 -1.66 105.19 104.79 2kc0 n GLY 236 Ca -0.14 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 2kc0 n GLY 236 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kc0 s SER 237 N -4.00 -0.58 0.02 1.61 0.15 -0.18 -1.33 113.70 109.39 2kc0 s SER 237 Ca 0.00 0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.78 2kc0 s SER 237 Cb 0.00 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.89 2kc0 s SER 237 CO 0.00 -0.93 -0.16 0.00 1.20 0.00 0.00 173.24 173.35 2kc0 s ALA 238 N -3.49 1.34 0.07 5.45 0.00 0.41 -1.02 121.76 124.52 2kc0 s ALA 238 Ca -0.00 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.25 2kc0 s ALA 238 Cb -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2kc0 s ALA 238 CO -0.11 0.30 -0.25 -1.21 0.00 0.00 0.00 175.76 174.49 2kc0 s GLU 239 N -0.77 1.58 -0.01 0.00 8.01 -0.48 -0.46 118.70 126.56 2kc0 s GLU 239 Ca 0.05 -1.14 -0.01 0.00 0.01 0.00 0.00 54.97 53.88 2kc0 s GLU 239 Cb -0.07 -1.83 0.00 0.00 -4.31 0.00 0.00 34.13 27.92 2kc0 s GLU 239 CO 0.00 0.46 0.02 0.54 0.01 0.00 0.00 175.26 176.29 2kc0 s VAL 240 N -0.89 -0.00 0.36 2.63 0.11 -0.15 -0.49 120.40 121.96 2kc0 s VAL 240 Ca 0.11 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.90 2kc0 s VAL 240 Cb -0.10 -0.04 -0.09 0.00 -1.53 0.00 0.00 36.38 34.62 2kc0 s VAL 240 CO 0.03 0.00 1.12 -0.54 -3.33 0.00 0.00 175.10 172.39 2kc0 s LYS 241 N 0.03 4.30 0.22 1.54 -0.14 -1.26 -0.77 119.74 123.66 2kc0 s LYS 241 Ca -0.00 1.77 0.01 0.00 -1.36 0.00 0.00 55.97 56.39 2kc0 s LYS 241 Cb -0.00 -2.84 -0.05 0.00 -1.68 0.00 0.00 37.83 33.26 2kc0 s LYS 241 CO -0.00 -0.09 0.08 -0.08 -0.76 0.00 0.00 175.35 174.50 2kc0 s THR 242 N -1.37 0.45 0.51 2.17 -1.32 -0.02 -4.81 115.64 111.25 2kc0 s THR 242 Ca 0.52 -1.99 0.25 0.00 -1.21 0.00 0.00 61.69 59.26 2kc0 s THR 242 Cb -0.30 -2.46 0.41 0.00 -1.51 0.00 0.00 72.50 68.64 2kc0 s THR 242 CO 0.38 -0.13 1.95 1.62 -2.21 0.00 0.00 174.62 176.23 2kc0 h VAL 243 N 2.52 0.70 0.00 5.08 3.04 -1.97 0.44 116.25 126.06 2kc0 h VAL 243 Ca -0.37 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2kc0 h VAL 243 Cb 1.24 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 2kc0 h VAL 243 CO 0.60 0.02 0.00 0.59 -1.01 0.00 0.00 177.57 177.76 2kc0 n ASN 244 N -4.38 0.00 0.00 3.17 3.02 -1.26 -4.99 115.26 110.83 2kc0 n ASN 244 Ca 0.13 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 2kc0 n ASN 244 Cb 0.68 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.47 1.10 3.43 7.41 0.00 0.14 -5.01 105.19 112.74 2kc0 n GLY 245 Ca 0.12 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 2.37 0.01 -0.61 1.10 -1.26 -0.84 121.20 121.96 2kc0 s ILE 246 Ca 0.00 -2.15 0.00 0.00 -0.51 0.00 0.00 60.65 57.99 2kc0 s ILE 246 Cb 0.00 -2.17 -0.01 0.00 0.15 0.00 0.00 42.46 40.44 2kc0 s ILE 246 CO 0.00 -0.22 -0.01 -0.60 -2.11 0.00 0.00 174.94 172.00 2kc0 s ARG 247 N -2.94 0.12 -0.02 3.50 6.06 0.05 -4.80 118.95 120.92 2kc0 s ARG 247 Ca 0.23 -0.18 0.04 0.00 -2.50 0.00 0.00 55.73 53.33 2kc0 s ARG 247 Cb -0.07 -0.01 -0.03 0.00 0.06 0.00 0.00 34.95 34.90 2kc0 s ARG 247 CO 0.11 -0.00 -0.12 -1.01 -2.50 0.00 0.00 175.30 171.78 2kc0 s HIS 248 N -0.39 2.74 -0.05 5.12 3.76 -1.26 -0.97 115.29 124.24 2kc0 s HIS 248 Ca -0.04 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 2kc0 s HIS 248 Cb -0.03 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 32.09 2kc0 s HIS 248 CO -0.00 0.27 -0.02 0.42 -0.85 0.00 0.00 174.74 174.55 2kc0 s ILE 249 N -0.86 0.40 0.40 0.60 1.01 0.39 -4.43 121.20 118.71 2kc0 s ILE 249 Ca 0.14 -0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.56 2kc0 s ILE 249 Cb -0.11 -0.48 -0.10 0.00 0.01 0.00 0.00 42.46 41.78 2kc0 s ILE 249 CO 0.04 0.21 0.98 -0.83 0.00 0.00 0.00 174.94 175.34 2kc0 s GLY 250 N 1.24 2.60 -0.13 6.18 0.00 -0.56 -0.45 107.32 116.20 2kc0 s GLY 250 Ca -0.06 0.52 -0.07 0.00 0.00 0.00 0.00 44.72 45.12 2kc0 s GLY 250 CO -0.02 0.89 0.11 1.08 0.00 0.00 0.00 173.10 175.16 2kc0 s LEU 251 N -2.74 4.17 -0.21 0.66 2.01 -0.44 -3.45 118.68 118.69 2kc0 s LEU 251 Ca 0.58 0.35 -0.05 0.00 0.01 0.00 0.00 54.13 55.01 2kc0 s LEU 251 Cb -0.15 -2.02 0.10 0.00 0.01 0.00 0.00 46.19 44.13 2kc0 s LEU 251 CO 0.20 0.35 0.38 0.00 1.01 0.00 0.00 176.35 178.30 2kc0 s ALA 252 N -0.69 -1.05 -0.22 4.21 0.00 -1.22 -3.29 121.76 119.50 2kc0 s ALA 252 Ca 0.13 1.22 -0.16 0.00 0.00 0.00 0.00 51.96 53.15 2kc0 s ALA 252 Cb -0.12 -1.41 0.06 0.00 0.00 0.00 0.00 23.12 21.66 2kc0 s ALA 252 CO 0.03 -0.92 0.56 0.00 0.00 0.00 0.00 175.76 175.42 2kc0 s ALA 253 N 2.56 -1.44 0.27 0.00 0.00 -0.87 -1.56 121.76 120.73 2kc0 s ALA 253 Ca 0.04 1.82 0.09 0.00 0.00 0.00 0.00 51.96 53.91 2kc0 s ALA 253 Cb -0.13 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 2kc0 s ALA 253 CO -0.13 -0.30 -0.14 -1.59 0.00 0.00 0.00 175.76 173.60 2kc0 s LYS 254 N 1.00 1.58 0.00 0.00 -2.85 -1.19 -0.80 119.74 117.49 2kc0 s LYS 254 Ca -0.06 -1.75 0.01 0.00 -1.00 0.00 0.00 55.97 53.17 2kc0 s LYS 254 Cb -0.06 -1.47 0.08 0.00 -2.06 0.00 0.00 37.83 34.32 2kc0 s LYS 254 CO -0.09 0.21 0.57 0.00 0.10 0.00 0.00 175.35 176.14