#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 -0.14 0.30 0.00 0.00 -1.26 -3.29 105.19 100.80 2kc0 n GLY 15 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 0.38 -0.92 0.99 3.38 -1.97 -2.39 115.31 114.78 2kc0 h LEU 16 Ca 0.00 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2kc0 h LEU 16 Cb 0.00 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2kc0 h LEU 16 CO 0.00 0.10 0.15 0.00 0.09 0.00 0.00 178.44 178.78 2kc0 h ALA 17 N 1.62 1.12 0.04 1.53 0.00 -1.75 -2.41 119.26 119.41 2kc0 h ALA 17 Ca 0.49 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 2kc0 h ALA 17 Cb 0.82 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kc0 h ALA 17 CO -0.44 0.59 -1.03 0.22 0.00 0.00 0.00 179.25 178.59 2kc0 h ASP 18 N 0.90 0.19 0.77 0.00 3.58 -1.79 -3.20 116.42 116.88 2kc0 h ASP 18 Ca 0.19 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kc0 h ASP 18 Cb 0.32 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2kc0 h ASP 18 CO -0.00 1.09 0.00 0.00 -2.88 0.00 0.00 179.24 177.45 2kc0 h ALA 19 N 0.88 1.00 0.00 -0.78 0.00 -1.14 -3.01 119.26 116.21 2kc0 h ALA 19 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kc0 h ALA 19 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2kc0 h ALA 19 CO 0.15 0.00 -0.53 1.28 0.00 0.00 0.00 179.25 180.15 2kc0 n LEU 20 N -2.42 0.53 -0.04 0.00 7.99 -0.93 -4.39 117.00 117.74 2kc0 n LEU 20 Ca 0.02 0.08 -0.00 0.00 -0.01 0.00 0.00 56.01 56.09 2kc0 n LEU 20 Cb 0.24 -0.24 -0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2kc0 n LEU 20 CO 0.21 0.07 -0.01 0.71 -1.51 0.00 0.00 177.39 176.86 2kc0 h THR 21 N 0.00 0.00 -3.08 -5.08 1.35 -1.63 -3.45 112.91 101.03 2kc0 h THR 21 Ca 0.00 -0.76 -0.05 0.00 -0.55 0.00 0.00 66.41 65.06 2kc0 h THR 21 Cb 0.57 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.85 2kc0 h THR 21 CO 0.00 0.00 0.05 0.00 -0.25 0.00 0.00 175.52 175.32 2kc0 s ALA 22 N -2.66 -1.26 0.88 6.62 0.00 -1.25 -5.17 121.76 118.92 2kc0 s ALA 22 Ca -0.00 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 2kc0 s ALA 22 Cb 0.00 0.65 0.12 0.00 0.00 0.00 0.00 23.12 23.89 2kc0 s ALA 22 CO 0.01 -0.64 1.10 -1.25 0.00 0.00 0.00 175.76 174.98 2kc0 s PRO 23 N -3.35 1.34 0.06 0.00 0.04 -1.26 -4.67 135.00 127.16 2kc0 s PRO 23 Ca -0.00 1.07 -0.04 0.00 0.04 0.00 0.00 61.00 62.06 2kc0 s PRO 23 Cb 0.00 -1.80 -0.29 0.00 0.04 0.00 0.00 34.50 32.46 2kc0 s PRO 23 CO -0.09 -2.26 1.09 -0.07 0.04 0.00 0.00 177.00 175.71 2kc0 h LEU 24 N -1.57 0.43 -7.91 -3.56 3.38 -1.95 -3.49 115.31 100.64 2kc0 h LEU 24 Ca -0.47 -0.48 0.17 0.00 0.09 0.00 0.00 57.88 57.19 2kc0 h LEU 24 Cb 1.27 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 2kc0 h LEU 24 CO 0.51 1.38 0.59 -0.62 0.09 0.00 0.00 178.44 180.39 2kc0 s ASP 25 N -7.13 -0.01 0.00 -0.43 -1.08 -1.26 -5.09 116.67 101.66 2kc0 s ASP 25 Ca -0.05 -0.62 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 2kc0 s ASP 25 Cb 0.07 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 42.01 2kc0 s ASP 25 CO 0.88 -0.94 0.30 1.41 0.52 0.00 0.00 175.17 177.34 2kc0 n HIS 26 N -0.68 0.00 -0.09 -5.34 8.25 -1.26 -4.86 115.22 111.23 2kc0 n HIS 26 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2kc0 n HIS 26 Cb 0.60 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.35 2kc0 n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2kc0 n LYS 27 N -1.58 1.35 0.00 -0.41 0.00 -1.26 -4.79 118.16 111.47 2kc0 n LYS 27 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2kc0 n LYS 27 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 35.03 34.86 2kc0 n LYS 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kc0 n ASP 28 N -0.20 0.00 -1.88 -5.58 2.03 -1.26 -1.06 116.55 108.61 2kc0 n ASP 28 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 2kc0 n ASP 28 Cb 0.02 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.44 2kc0 n ASP 28 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2kc0 n LYS 29 N 0.00 0.62 0.00 -0.67 0.00 -1.26 -5.13 118.16 111.72 2kc0 n LYS 29 Ca 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 58.31 56.31 2kc0 n LYS 29 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 35.03 34.84 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 -0.20 2.06 3.82 2.58 0.00 -0.22 -5.13 105.19 108.10 2kc0 n GLY 30 Ca -0.06 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 4.45 0.00 0.99 0.20 -1.26 -4.74 118.68 118.32 2kc0 s LEU 31 Ca 0.00 1.24 0.00 0.00 0.69 0.00 0.00 54.13 56.06 2kc0 s LEU 31 Cb 0.00 -3.12 0.00 0.00 -0.43 0.00 0.00 46.19 42.64 2kc0 s LEU 31 CO 0.00 0.19 0.06 0.00 -0.29 0.00 0.00 176.35 176.31 2kc0 n GLN 32 N 1.31 -0.06 -3.45 1.98 6.02 -1.26 -4.59 117.38 117.33 2kc0 n GLN 32 Ca -0.08 -0.06 -0.12 0.00 -0.01 0.00 0.00 57.00 56.73 2kc0 n GLN 32 Cb 0.51 -0.53 -0.03 0.00 1.02 0.00 0.00 30.24 31.21 2kc0 n GLN 32 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2kc0 s SER 33 N -0.01 -0.55 0.11 1.08 1.04 -1.26 -0.21 113.70 113.90 2kc0 s SER 33 Ca 0.00 0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.59 2kc0 s SER 33 Cb 0.00 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 2kc0 s SER 33 CO 0.00 -0.87 -0.16 -1.48 0.98 0.00 0.00 173.24 171.71 2kc0 s LEU 34 N -2.49 2.35 0.33 2.42 2.34 -0.77 -4.94 118.68 117.92 2kc0 s LEU 34 Ca -0.00 -0.73 -0.27 0.00 0.06 0.00 0.00 54.13 53.18 2kc0 s LEU 34 Cb -0.01 -0.63 -0.09 0.00 -0.56 0.00 0.00 46.19 44.90 2kc0 s LEU 34 CO -0.09 -0.08 1.05 -0.89 -1.06 0.00 0.00 176.35 175.29 2kc0 s THR 35 N -1.69 3.68 -0.79 5.48 2.01 -1.26 -0.53 115.64 122.52 2kc0 s THR 35 Ca 0.06 1.50 -0.03 0.00 0.31 0.00 0.00 61.69 63.54 2kc0 s THR 35 Cb -0.07 -3.89 0.20 0.00 0.01 0.00 0.00 72.50 68.75 2kc0 s THR 35 CO 0.03 0.22 0.66 -0.76 -0.69 0.00 0.00 174.62 174.08 2kc0 s LEU 36 N -1.93 5.48 0.00 4.42 1.02 -1.07 -4.81 118.68 121.80 2kc0 s LEU 36 Ca 0.50 -3.38 0.00 0.00 0.02 0.00 0.00 54.13 51.27 2kc0 s LEU 36 Cb -0.27 -1.90 0.00 0.00 0.02 0.00 0.00 46.19 44.04 2kc0 s LEU 36 CO 0.34 -0.26 0.09 -0.90 0.02 0.00 0.00 176.35 175.64 2kc0 n ASP 37 N 2.80 0.18 -0.00 2.29 5.75 -1.26 -3.71 116.55 122.60 2kc0 n ASP 37 Ca 0.16 -0.52 0.03 0.00 -0.01 0.00 0.00 54.79 54.45 2kc0 n ASP 37 Cb 0.38 0.30 -0.05 0.00 -1.03 0.00 0.00 41.12 40.72 2kc0 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kc0 n GLN 38 N -0.30 0.38 -0.07 0.11 0.00 -1.26 -4.68 117.38 111.55 2kc0 n GLN 38 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 57.00 56.79 2kc0 n GLN 38 Cb 0.05 -1.15 -0.05 0.00 0.00 0.00 0.00 30.24 29.09 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 0.82 -4.67 2.61 4.64 -1.92 -3.47 113.55 111.55 2kc0 h SER 39 Ca 0.00 -0.53 -0.27 0.00 -0.47 0.00 0.00 61.79 60.51 2kc0 h SER 39 Cb 0.30 -0.23 -0.19 0.00 -0.31 0.00 0.00 62.40 61.97 2kc0 h SER 39 CO 0.00 1.20 -0.73 0.54 -0.87 0.00 0.00 176.83 176.97 2kc0 s VAL 40 N -4.11 0.65 0.96 0.95 0.11 -1.26 -5.09 120.40 112.61 2kc0 s VAL 40 Ca -0.12 -1.37 -0.16 0.00 -2.93 0.00 0.00 61.98 57.41 2kc0 s VAL 40 Cb 0.09 -0.99 0.20 0.00 -1.53 0.00 0.00 36.38 34.14 2kc0 s VAL 40 CO 0.85 -0.52 1.32 -0.13 -3.33 0.00 0.00 175.10 173.30 2kc0 s ARG 41 N -2.29 0.69 0.52 1.54 1.81 -1.26 -4.65 118.95 115.31 2kc0 s ARG 41 Ca -0.02 -0.39 0.28 0.00 -1.72 0.00 0.00 55.73 53.87 2kc0 s ARG 41 Cb -0.05 -1.85 1.44 0.00 -0.45 0.00 0.00 34.95 34.04 2kc0 s ARG 41 CO -0.01 -2.39 2.06 0.87 -0.68 0.00 0.00 175.30 175.15 2kc0 h LYS 42 N -1.62 0.00 0.03 3.54 1.57 -1.96 -3.17 116.57 114.96 2kc0 h LYS 42 Ca -0.44 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.02 2kc0 h LYS 42 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 2kc0 h LYS 42 CO 0.39 0.12 -1.80 0.09 -0.57 0.00 0.00 179.45 177.67 2kc0 n ASN 43 N -3.55 1.18 -4.93 0.86 3.02 -1.26 -4.21 115.26 106.38 2kc0 n ASN 43 Ca -0.02 0.35 -0.26 0.00 -0.03 0.00 0.00 54.58 54.63 2kc0 n ASN 43 Cb 0.25 -0.25 0.01 0.00 -0.61 0.00 0.00 39.78 39.19 2kc0 n ASN 43 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2kc0 s GLU 44 N -2.58 3.21 0.06 3.52 2.12 -1.22 -4.97 118.70 118.84 2kc0 s GLU 44 Ca -0.09 -0.10 0.08 0.00 0.36 0.00 0.00 54.97 55.22 2kc0 s GLU 44 Cb 0.08 -2.41 -0.03 0.00 0.26 0.00 0.00 34.13 32.02 2kc0 s GLU 44 CO 0.81 -0.35 -0.22 0.21 -0.54 0.00 0.00 175.26 175.16 2kc0 s LYS 45 N -4.74 1.43 0.12 4.30 2.20 -1.06 -3.91 119.74 118.08 2kc0 s LYS 45 Ca 0.49 -1.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.10 2kc0 s LYS 45 Cb -0.10 -1.60 -0.04 0.00 -1.51 0.00 0.00 37.83 34.57 2kc0 s LYS 45 CO 0.42 0.40 -0.10 -0.48 -0.36 0.00 0.00 175.35 175.24 2kc0 s LEU 46 N -1.36 2.49 -0.03 5.43 2.34 -0.32 -1.98 118.68 125.24 2kc0 s LEU 46 Ca 0.09 -0.96 0.05 0.00 0.06 0.00 0.00 54.13 53.37 2kc0 s LEU 46 Cb -0.09 -0.29 -0.01 0.00 -0.56 0.00 0.00 46.19 45.24 2kc0 s LEU 46 CO 0.02 -0.33 -0.18 -0.75 -1.06 0.00 0.00 176.35 174.05 2kc0 s LYS 47 N -3.50 1.65 -0.04 1.48 2.20 -0.25 -1.17 119.74 120.11 2kc0 s LYS 47 Ca 0.13 -0.64 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 2kc0 s LYS 47 Cb 0.02 -1.51 0.02 0.00 -1.51 0.00 0.00 37.83 34.84 2kc0 s LYS 47 CO -0.01 0.32 -0.06 -1.17 -0.36 0.00 0.00 175.35 174.08 2kc0 s LEU 48 N -0.20 1.52 -0.02 5.43 1.98 0.07 -0.66 118.68 126.79 2kc0 s LEU 48 Ca 0.02 -0.15 -0.13 0.00 -2.89 0.00 0.00 54.13 50.98 2kc0 s LEU 48 Cb -0.09 -0.47 0.02 0.00 0.66 0.00 0.00 46.19 46.30 2kc0 s LEU 48 CO 0.01 -0.01 0.27 0.00 -1.89 0.00 0.00 176.35 174.73 2kc0 s ALA 49 N 0.64 -0.68 -0.16 5.97 0.00 -0.35 -0.35 121.76 126.83 2kc0 s ALA 49 Ca -0.09 0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.87 2kc0 s ALA 49 Cb -0.12 0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.10 2kc0 s ALA 49 CO 0.01 -0.24 0.77 0.00 0.00 0.00 0.00 175.76 176.30 2kc0 s ALA 50 N -1.18 -1.81 -1.47 0.00 0.00 -0.24 -0.86 121.76 116.20 2kc0 s ALA 50 Ca -0.12 1.64 -0.08 0.00 0.00 0.00 0.00 51.96 53.40 2kc0 s ALA 50 Cb -0.05 -0.62 0.06 0.00 0.00 0.00 0.00 23.12 22.50 2kc0 s ALA 50 CO 0.03 -0.34 0.77 0.94 0.00 0.00 0.00 175.76 177.16 2kc0 n GLN 51 N 1.61 -4.60 -0.98 0.00 7.27 -1.26 -1.62 117.38 117.79 2kc0 n GLN 51 Ca -0.16 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.45 2kc0 n GLN 51 Cb 0.56 -5.16 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 -1.68 0.92 3.74 1.69 0.00 -1.26 -4.61 105.19 104.00 2kc0 n GLY 52 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.72 3.44 -0.02 4.61 0.00 -0.64 -5.10 121.76 120.33 2kc0 s ALA 53 Ca 0.00 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 50.63 2kc0 s ALA 53 Cb 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.87 2kc0 s ALA 53 CO 0.00 0.59 0.32 -1.83 0.00 0.00 0.00 175.76 174.84 2kc0 s GLU 54 N -2.76 0.66 -0.00 0.00 -1.05 -1.26 -1.08 118.70 113.20 2kc0 s GLU 54 Ca 0.29 -0.13 0.01 0.00 -0.15 0.00 0.00 54.97 54.99 2kc0 s GLU 54 Cb -0.11 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 2kc0 s GLU 54 CO 0.21 -0.18 -0.03 0.21 0.95 0.00 0.00 175.26 176.42 2kc0 s LYS 55 N -1.21 0.26 0.07 -4.83 2.47 0.52 -4.95 119.74 112.07 2kc0 s LYS 55 Ca -0.13 -0.10 -0.21 0.00 -1.56 0.00 0.00 55.97 53.98 2kc0 s LYS 55 Cb -0.05 -0.27 -0.07 0.00 -1.46 0.00 0.00 37.83 35.99 2kc0 s LYS 55 CO 0.04 0.05 0.61 0.95 0.16 0.00 0.00 175.35 177.16 2kc0 s THR 56 N 0.02 4.71 0.04 3.43 -4.23 -1.26 -0.75 115.64 117.59 2kc0 s THR 56 Ca 0.00 1.31 -0.00 0.00 -1.18 0.00 0.00 61.69 61.81 2kc0 s THR 56 Cb -0.02 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 2kc0 s THR 56 CO -0.00 0.52 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.26 2kc0 s TYR 57 N -0.95 0.45 -0.02 3.99 2.02 -0.32 -5.00 117.35 117.52 2kc0 s TYR 57 Ca 0.31 -0.86 -0.30 0.00 -0.37 0.00 0.00 57.07 55.84 2kc0 s TYR 57 Cb -0.20 -0.33 0.11 0.00 -0.40 0.00 0.00 41.96 41.14 2kc0 s TYR 57 CO 0.20 -0.30 1.15 0.20 -1.57 0.00 0.00 175.55 175.23 2kc0 s GLY 58 N -2.39 -0.35 -1.09 0.71 0.00 -1.26 -1.18 107.32 101.76 2kc0 s GLY 58 Ca -0.01 0.83 -0.05 0.00 0.00 0.00 0.00 44.72 45.49 2kc0 s GLY 58 CO -0.06 0.22 0.27 -2.01 0.00 0.00 0.00 173.10 171.52 2kc0 n ASN 59 N -0.36 -3.50 -1.42 1.64 5.15 -1.20 -4.07 115.26 111.49 2kc0 n ASN 59 Ca -0.06 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 2kc0 n ASN 59 Cb 0.61 -2.95 0.00 0.00 -0.53 0.00 0.00 39.78 36.91 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 -0.98 -2.73 0.00 8.20 0.00 -1.24 -4.94 105.19 103.49 2kc0 n GLY 60 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2kc0 n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kc0 n ASP 61 N 0.00 0.60 -3.71 1.61 -0.08 -1.25 -4.96 116.55 108.77 2kc0 n ASP 61 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 2kc0 n ASP 61 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2kc0 n ASP 61 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kc0 s SER 62 N 1.00 -0.48 -0.35 1.67 1.04 -1.26 -2.59 113.70 112.73 2kc0 s SER 62 Ca 0.00 0.85 -0.29 0.00 0.48 0.00 0.00 55.95 56.99 2kc0 s SER 62 Cb 0.00 0.76 0.01 0.00 0.10 0.00 0.00 66.02 66.90 2kc0 s SER 62 CO 0.00 -0.18 1.17 -0.22 0.98 0.00 0.00 173.24 174.99 2kc0 s LEU 63 N 1.08 3.84 0.50 2.42 2.96 0.31 -4.85 118.68 124.94 2kc0 s LEU 63 Ca -0.07 0.96 -0.21 0.00 -0.22 0.00 0.00 54.13 54.59 2kc0 s LEU 63 Cb -0.07 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 2kc0 s LEU 63 CO -0.09 -1.04 1.18 0.20 -1.32 0.00 0.00 176.35 175.28 2kc0 s ASN 64 N 2.24 5.86 0.00 3.68 0.01 -1.26 -1.84 114.94 123.62 2kc0 s ASN 64 Ca 0.50 2.33 0.00 0.00 -0.71 0.00 0.00 52.86 54.98 2kc0 s ASN 64 Cb -0.12 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.94 2kc0 s ASN 64 CO 0.22 -1.14 0.00 0.35 -1.51 0.00 0.00 177.10 175.02 2kc0 n THR 65 N -0.87 0.00 -0.85 1.60 -2.24 -0.48 -4.91 114.28 106.53 2kc0 n THR 65 Ca 0.09 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.99 2kc0 n THR 65 Cb 0.49 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.05 -2.04 0.77 3.38 0.00 0.71 -4.31 105.19 103.65 2kc0 n GLY 66 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.27 0.24 -2.68 1.61 2.85 -1.26 -4.74 118.16 110.91 2kc0 n LYS 67 Ca -0.01 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.82 2kc0 n LYS 67 Cb 0.39 -1.26 -0.02 0.00 -0.65 0.00 0.00 35.03 33.49 2kc0 n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2kc0 s LEU 68 N 0.00 4.14 -0.13 -5.58 1.02 -1.26 -4.96 118.68 111.91 2kc0 s LEU 68 Ca 0.00 1.40 0.08 0.00 0.02 0.00 0.00 54.13 55.63 2kc0 s LEU 68 Cb 0.00 -3.53 0.46 0.00 0.02 0.00 0.00 46.19 43.14 2kc0 s LEU 68 CO 0.00 -0.61 1.21 2.29 0.02 0.00 0.00 176.35 179.26 2kc0 n LYS 69 N 5.98 3.12 0.04 1.70 0.00 -1.26 -4.12 118.16 123.61 2kc0 n LYS 69 Ca 0.11 -1.75 0.13 0.00 -0.00 0.00 0.00 58.31 56.80 2kc0 n LYS 69 Cb 0.47 -1.90 0.41 0.00 -0.00 0.00 0.00 35.03 34.01 2kc0 n LYS 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kc0 n ASN 70 N 0.37 0.43 -3.68 -5.58 3.02 -1.26 -4.68 115.26 103.88 2kc0 n ASN 70 Ca 0.15 0.30 -0.31 0.00 -0.03 0.00 0.00 54.58 54.70 2kc0 n ASN 70 Cb 0.76 -0.31 0.04 0.00 -0.61 0.00 0.00 39.78 39.66 2kc0 n ASN 70 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kc0 n ASP 71 N -1.80 -5.37 -4.12 6.41 8.00 -0.74 -5.01 116.55 113.90 2kc0 n ASP 71 Ca 0.06 -0.99 -0.08 0.00 0.71 0.00 0.00 54.79 54.48 2kc0 n ASP 71 Cb 0.38 -3.28 -0.10 0.00 -0.02 0.00 0.00 41.12 38.10 2kc0 n ASP 71 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2kc0 s LYS 72 N -5.87 0.77 -0.34 -1.24 -2.85 -0.88 -4.91 119.74 104.41 2kc0 s LYS 72 Ca 0.43 -1.32 -0.21 0.00 -1.00 0.00 0.00 55.97 53.87 2kc0 s LYS 72 Cb -0.16 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 2kc0 s LYS 72 CO 0.86 -0.16 0.65 0.14 0.10 0.00 0.00 175.35 176.94 2kc0 s VAL 73 N -3.94 4.88 0.18 1.79 -7.23 -1.26 -0.31 120.40 114.51 2kc0 s VAL 73 Ca 0.15 0.70 -0.22 0.00 -1.81 0.00 0.00 61.98 60.79 2kc0 s VAL 73 Cb 0.08 -4.07 -0.08 0.00 0.56 0.00 0.00 36.38 32.86 2kc0 s VAL 73 CO -0.05 -0.28 0.73 -0.44 -0.31 0.00 0.00 175.10 174.76 2kc0 s SER 74 N 1.75 7.22 -0.19 4.85 0.01 0.03 -4.97 113.70 122.40 2kc0 s SER 74 Ca 0.25 1.51 -0.11 0.00 1.31 0.00 0.00 55.95 58.91 2kc0 s SER 74 Cb -0.14 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 2kc0 s SER 74 CO 0.14 0.15 0.19 0.00 0.41 0.00 0.00 173.24 174.13 2kc0 s ARG 75 N -1.48 4.20 -0.00 12.44 1.70 -1.26 -2.60 118.95 131.95 2kc0 s ARG 75 Ca 0.38 -0.11 -0.00 0.00 -0.47 0.00 0.00 55.73 55.52 2kc0 s ARG 75 Cb -0.20 -3.44 0.00 0.00 -0.57 0.00 0.00 34.95 30.75 2kc0 s ARG 75 CO 0.23 0.25 0.01 -0.06 -1.08 0.00 0.00 175.30 174.65 2kc0 s PHE 76 N 0.48 -0.01 0.07 5.89 0.08 -0.97 -4.81 117.98 118.71 2kc0 s PHE 76 Ca 0.11 0.02 -0.13 0.00 0.12 0.00 0.00 56.93 57.05 2kc0 s PHE 76 Cb -0.12 -0.00 -0.06 0.00 -0.57 0.00 0.00 43.02 42.27 2kc0 s PHE 76 CO 0.01 -0.01 0.45 -0.51 -0.10 0.00 0.00 175.22 175.07 2kc0 s ASP 77 N 0.03 6.77 -0.01 1.36 1.11 -0.04 -2.03 116.67 123.87 2kc0 s ASP 77 Ca -0.00 0.95 0.05 0.00 0.18 0.00 0.00 52.55 53.73 2kc0 s ASP 77 Cb -0.00 -2.24 -0.01 0.00 1.07 0.00 0.00 42.92 41.73 2kc0 s ASP 77 CO -0.00 0.21 -0.16 0.12 1.18 0.00 0.00 175.17 176.52 2kc0 s PHE 78 N -1.30 1.45 0.02 4.23 2.19 -0.20 -1.20 117.98 123.17 2kc0 s PHE 78 Ca 0.31 -0.28 0.01 0.00 0.33 0.00 0.00 56.93 57.30 2kc0 s PHE 78 Cb -0.15 -0.94 -0.01 0.00 -1.31 0.00 0.00 43.02 40.60 2kc0 s PHE 78 CO 0.17 -0.03 -0.04 0.42 1.83 0.00 0.00 175.22 177.57 2kc0 s ILE 79 N -0.35 0.24 0.32 3.12 1.01 0.16 -1.07 121.20 124.63 2kc0 s ILE 79 Ca 0.06 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.20 2kc0 s ILE 79 Cb -0.07 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 2kc0 s ILE 79 CO -0.00 -0.22 0.33 -0.13 0.00 0.00 0.00 174.94 174.92 2kc0 s ARG 80 N -0.85 2.91 -0.28 2.79 1.81 -0.85 -1.09 118.95 123.39 2kc0 s ARG 80 Ca -0.07 -1.15 -0.15 0.00 -1.72 0.00 0.00 55.73 52.64 2kc0 s ARG 80 Cb -0.06 -2.61 0.09 0.00 -0.45 0.00 0.00 34.95 31.92 2kc0 s ARG 80 CO -0.00 0.15 0.70 -1.14 -0.68 0.00 0.00 175.30 174.33 2kc0 s GLN 81 N -4.02 0.67 0.08 3.54 0.74 -0.84 -4.01 119.66 115.82 2kc0 s GLN 81 Ca 0.40 1.24 -0.26 0.00 0.05 0.00 0.00 55.36 56.80 2kc0 s GLN 81 Cb -0.07 0.26 0.08 0.00 1.10 0.00 0.00 33.01 34.37 2kc0 s GLN 81 CO 0.28 -0.15 0.68 -1.50 -0.55 0.00 0.00 175.29 174.05 2kc0 s ILE 82 N 1.83 0.00 0.13 -2.34 2.07 -1.26 -2.56 121.20 119.08 2kc0 s ILE 82 Ca -0.09 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.85 2kc0 s ILE 82 Cb -0.06 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.46 2kc0 s ILE 82 CO -0.20 0.00 1.06 -1.61 -1.91 0.00 0.00 174.94 172.29 2kc0 s GLU 83 N -3.11 4.60 -0.34 3.50 8.01 -1.26 -3.65 118.70 126.46 2kc0 s GLU 83 Ca -0.00 1.63 -0.09 0.00 0.01 0.00 0.00 54.97 56.51 2kc0 s GLU 83 Cb -0.01 -3.33 0.02 0.00 -4.31 0.00 0.00 34.13 26.50 2kc0 s GLU 83 CO -0.08 0.07 0.16 0.08 0.01 0.00 0.00 175.26 175.50 2kc0 s VAL 84 N 0.06 4.39 -1.03 2.63 1.01 0.07 -4.51 120.40 123.01 2kc0 s VAL 84 Ca 0.50 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 2kc0 s VAL 84 Cb -0.27 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2kc0 s VAL 84 CO 0.32 -0.10 0.18 -0.67 0.00 0.00 0.00 175.10 174.83 2kc0 n ASP 85 N 4.95 -3.57 0.00 3.32 -0.08 -1.26 -0.72 116.55 119.19 2kc0 n ASP 85 Ca -0.13 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 2kc0 n ASP 85 Cb 0.47 -3.02 0.00 0.00 2.34 0.00 0.00 41.12 40.91 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kc0 n GLY 86 N -0.91 0.86 3.75 0.27 0.00 -1.26 -5.06 105.19 102.84 2kc0 n GLY 86 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.38 4.14 -0.31 1.61 -0.21 0.11 -5.02 119.66 119.60 2kc0 s GLN 87 Ca 0.00 -0.03 -0.29 0.00 0.02 0.00 0.00 55.36 55.06 2kc0 s GLN 87 Cb 0.00 -3.39 0.01 0.00 1.00 0.00 0.00 33.01 30.62 2kc0 s GLN 87 CO 0.00 0.33 1.22 -0.51 -2.12 0.00 0.00 175.29 174.21 2kc0 s LEU 88 N 0.22 3.90 -0.15 2.90 1.02 -1.26 -0.75 118.68 124.56 2kc0 s LEU 88 Ca 0.14 1.16 -0.01 0.00 0.02 0.00 0.00 54.13 55.43 2kc0 s LEU 88 Cb -0.12 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.54 2kc0 s LEU 88 CO 0.02 -1.01 -0.12 -0.63 0.02 0.00 0.00 176.35 174.63 2kc0 s ILE 89 N 4.10 2.98 -1.00 -0.59 1.01 -1.24 -4.99 121.20 121.47 2kc0 s ILE 89 Ca 0.52 -0.67 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 2kc0 s ILE 89 Cb -0.15 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.06 2kc0 s ILE 89 CO 0.20 0.51 1.67 0.42 0.00 0.00 0.00 174.94 177.74 2kc0 s THR 90 N 0.68 3.75 0.37 2.92 -4.23 -1.26 -4.23 115.64 113.64 2kc0 s THR 90 Ca -0.06 -0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 59.69 2kc0 s THR 90 Cb -0.15 -4.67 0.09 0.00 1.34 0.00 0.00 72.50 69.11 2kc0 s THR 90 CO 0.02 -1.55 0.39 -0.11 -0.54 0.00 0.00 174.62 172.83 2kc0 n LEU 91 N 10.94 0.00 0.00 4.79 7.94 -1.26 -5.09 117.00 134.32 2kc0 n LEU 91 Ca 0.37 -0.42 -0.01 0.00 -1.11 0.00 0.00 56.01 54.84 2kc0 n LEU 91 Cb 0.49 -0.33 0.01 0.00 0.53 0.00 0.00 43.42 44.11 2kc0 n LEU 91 CO 0.65 -1.18 0.03 -0.62 -1.11 0.00 0.00 177.39 175.16 2kc0 n GLU 92 N -2.36 0.73 -3.87 1.96 4.71 -1.26 -4.67 120.64 115.88 2kc0 n GLU 92 Ca 0.05 -0.18 -0.10 0.00 -0.01 0.00 0.00 57.16 56.91 2kc0 n GLU 92 Cb 0.19 -0.03 -0.09 0.00 -1.01 0.00 0.00 31.44 30.50 2kc0 n GLU 92 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2kc0 s SER 93 N -1.25 0.06 0.00 1.62 0.15 -1.26 -2.01 113.70 111.01 2kc0 s SER 93 Ca 0.04 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2kc0 s SER 93 Cb -0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2kc0 s SER 93 CO 0.03 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2kc0 n GLY 94 N 0.94 3.61 3.49 9.45 0.00 -0.23 -4.68 105.19 117.77 2kc0 n GLY 94 Ca -0.20 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 3.03 1.73 -0.28 1.61 2.02 -0.10 -1.03 118.70 125.67 2kc0 s GLU 95 Ca 0.00 -1.96 -0.05 0.00 0.02 0.00 0.00 54.97 52.99 2kc0 s GLU 95 Cb 0.00 -1.11 0.15 0.00 0.10 0.00 0.00 34.13 33.27 2kc0 s GLU 95 CO 0.00 -0.13 0.58 0.12 0.02 0.00 0.00 175.26 175.85 2kc0 s PHE 96 N -3.11 -1.36 -0.28 1.61 5.36 -0.86 -2.23 117.98 117.12 2kc0 s PHE 96 Ca 0.35 1.81 -0.06 0.00 -0.96 0.00 0.00 56.93 58.08 2kc0 s PHE 96 Cb 0.09 0.57 0.01 0.00 -0.34 0.00 0.00 43.02 43.34 2kc0 s PHE 96 CO 0.16 -0.75 0.04 -1.14 -1.46 0.00 0.00 175.22 172.07 2kc0 s GLN 97 N 2.82 3.09 -0.22 10.12 -0.44 -0.77 -2.30 119.66 131.95 2kc0 s GLN 97 Ca 0.09 -0.85 0.02 0.00 -2.50 0.00 0.00 55.36 52.12 2kc0 s GLN 97 Cb -0.14 -3.27 0.04 0.00 -1.64 0.00 0.00 33.01 28.01 2kc0 s GLN 97 CO -0.19 -0.40 -0.14 0.08 0.50 0.00 0.00 175.29 175.13 2kc0 s VAL 98 N 1.47 2.06 -0.53 1.34 1.01 -1.07 -1.65 120.40 123.03 2kc0 s VAL 98 Ca 0.02 -1.29 -0.23 0.00 0.00 0.00 0.00 61.98 60.48 2kc0 s VAL 98 Cb -0.17 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.21 2kc0 s VAL 98 CO 0.01 0.21 0.87 -0.47 0.00 0.00 0.00 175.10 175.72 2kc0 s TYR 99 N 1.21 2.86 -1.28 5.22 6.14 -0.28 -0.79 117.35 130.43 2kc0 s TYR 99 Ca -0.03 -0.08 -0.13 0.00 0.64 0.00 0.00 57.07 57.47 2kc0 s TYR 99 Cb -0.17 -3.94 0.14 0.00 0.42 0.00 0.00 41.96 38.41 2kc0 s TYR 99 CO -0.08 -1.26 1.74 1.17 0.64 0.00 0.00 175.55 177.76 2kc0 n LYS 100 N 7.16 3.36 -1.76 4.97 0.00 0.58 -3.21 118.16 129.26 2kc0 n LYS 100 Ca 0.00 -3.49 -0.31 0.00 0.00 0.00 0.00 58.31 54.52 2kc0 n LYS 100 Cb 0.47 -3.10 0.03 0.00 0.00 0.00 0.00 35.03 32.43 2kc0 n LYS 100 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2kc0 s GLN 101 N 1.78 3.20 0.30 1.64 -0.21 -1.26 -1.80 119.66 123.30 2kc0 s GLN 101 Ca 0.44 0.76 0.05 0.00 0.02 0.00 0.00 55.36 56.63 2kc0 s GLN 101 Cb 0.05 -2.03 0.73 0.00 1.00 0.00 0.00 33.01 32.75 2kc0 s GLN 101 CO 0.00 -0.86 1.75 1.03 -2.12 0.00 0.00 175.29 175.09 2kc0 h SER 102 N -0.54 0.65 0.00 5.90 0.87 -1.84 -3.35 113.55 115.25 2kc0 h SER 102 Ca -0.44 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2kc0 h SER 102 Cb 1.21 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2kc0 h SER 102 CO 0.61 0.19 -0.52 1.41 -0.53 0.00 0.00 176.83 177.99 2kc0 n HIS 103 N -4.85 0.00 -2.34 2.24 8.25 -1.26 -4.53 115.22 112.73 2kc0 n HIS 103 Ca 0.23 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.26 2kc0 n HIS 103 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2kc0 n HIS 103 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2kc0 n SER 104 N -1.53 5.63 -4.67 0.41 7.64 -1.26 -3.86 113.62 115.99 2kc0 n SER 104 Ca 0.00 -3.14 -0.39 0.00 1.01 0.00 0.00 58.87 56.34 2kc0 n SER 104 Cb 0.26 -1.44 -0.06 0.00 -1.01 0.00 0.00 64.21 61.96 2kc0 n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kc0 s ALA 105 N -0.13 3.53 0.11 -0.43 0.00 -0.55 -4.18 121.76 120.11 2kc0 s ALA 105 Ca 0.41 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.09 2kc0 s ALA 105 Cb 0.11 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 2kc0 s ALA 105 CO -0.00 -0.44 -0.12 -0.48 0.00 0.00 0.00 175.76 174.72 2kc0 s LEU 106 N 1.64 2.40 0.32 0.00 0.05 -1.20 -2.13 118.68 119.76 2kc0 s LEU 106 Ca 0.26 -0.80 0.09 0.00 0.05 0.00 0.00 54.13 53.73 2kc0 s LEU 106 Cb -0.16 -0.42 -0.05 0.00 -2.05 0.00 0.00 46.19 43.52 2kc0 s LEU 106 CO 0.10 -0.20 0.02 0.28 -0.55 0.00 0.00 176.35 176.00 2kc0 s THR 107 N -2.26 2.90 0.03 5.48 -1.32 -1.23 -1.13 115.64 118.12 2kc0 s THR 107 Ca 0.07 -1.93 -0.12 0.00 -1.21 0.00 0.00 61.69 58.49 2kc0 s THR 107 Cb -0.04 -2.81 0.01 0.00 -1.51 0.00 0.00 72.50 68.15 2kc0 s THR 107 CO 0.01 -0.25 0.26 0.00 -2.21 0.00 0.00 174.62 172.44 2kc0 s ALA 108 N -2.45 -0.58 0.06 11.08 0.00 -0.66 -1.02 121.76 128.19 2kc0 s ALA 108 Ca 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2kc0 s ALA 108 Cb -0.02 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2kc0 s ALA 108 CO 0.20 -0.36 0.13 -0.06 0.00 0.00 0.00 175.76 175.66 2kc0 s PHE 109 N -2.31 3.33 -0.02 0.00 0.08 -0.86 -1.85 117.98 116.35 2kc0 s PHE 109 Ca -0.07 0.16 -0.00 0.00 0.12 0.00 0.00 56.93 57.14 2kc0 s PHE 109 Cb -0.02 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.77 2kc0 s PHE 109 CO -0.02 0.55 0.04 -1.14 -0.10 0.00 0.00 175.22 174.55 2kc0 s GLN 110 N -2.36 -0.01 -0.10 0.44 -0.44 -0.94 -4.06 119.66 112.19 2kc0 s GLN 110 Ca 0.31 0.16 -0.08 0.00 -2.50 0.00 0.00 55.36 53.25 2kc0 s GLN 110 Cb -0.12 -0.17 0.03 0.00 -1.64 0.00 0.00 33.01 31.11 2kc0 s GLN 110 CO 0.23 -0.12 0.26 -0.08 0.50 0.00 0.00 175.29 176.08 2kc0 s THR 111 N 0.79 -0.01 0.00 -0.34 -1.32 -1.26 -0.92 115.64 112.57 2kc0 s THR 111 Ca -0.07 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 2kc0 s THR 111 Cb -0.09 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 2kc0 s THR 111 CO -0.02 0.02 0.00 -1.84 -2.21 0.00 0.00 174.62 170.56 2kc0 n GLU 112 N 3.36 2.07 -3.72 7.08 0.28 -1.26 -2.49 120.64 125.96 2kc0 n GLU 112 Ca -0.17 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.71 2kc0 n GLU 112 Cb 0.57 -0.84 -0.11 0.00 1.43 0.00 0.00 31.44 32.49 2kc0 n GLU 112 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 2kc0 s GLN 113 N -1.69 0.41 0.15 3.44 -2.07 -1.26 -3.36 119.66 115.28 2kc0 s GLN 113 Ca 0.00 0.65 -0.18 0.00 -1.82 0.00 0.00 55.36 54.01 2kc0 s GLN 113 Cb 0.00 0.09 0.04 0.00 -1.09 0.00 0.00 33.01 32.05 2kc0 s GLN 113 CO 0.00 -0.11 0.48 -1.50 -1.32 0.00 0.00 175.29 172.84 2kc0 s ILE 114 N 0.81 0.04 0.67 3.63 2.07 -0.82 -4.44 121.20 123.16 2kc0 s ILE 114 Ca -0.05 -0.51 -0.11 0.00 -1.41 0.00 0.00 60.65 58.57 2kc0 s ILE 114 Cb -0.06 -1.25 0.17 0.00 0.13 0.00 0.00 42.46 41.45 2kc0 s ILE 114 CO -0.06 -0.19 0.61 0.00 -1.91 0.00 0.00 174.94 173.39 2kc0 n GLN 115 N -0.29 -2.10 -3.81 3.50 10.64 -1.26 -0.61 117.38 123.44 2kc0 n GLN 115 Ca -0.15 -0.98 -0.36 0.00 -1.83 0.00 0.00 57.00 53.69 2kc0 n GLN 115 Cb 0.64 -0.90 -0.12 0.00 -0.86 0.00 0.00 30.24 29.00 2kc0 n GLN 115 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2kc0 s ASP 116 N -3.18 5.16 0.00 2.61 -1.08 -1.26 -4.61 116.67 114.31 2kc0 s ASP 116 Ca 0.39 -1.77 0.00 0.00 -0.52 0.00 0.00 52.55 50.65 2kc0 s ASP 116 Cb -0.04 -1.80 0.00 0.00 -1.46 0.00 0.00 42.92 39.63 2kc0 s ASP 116 CO 0.30 -0.45 0.69 -1.54 0.52 0.00 0.00 175.17 174.69 2kc0 n SER 117 N 4.61 2.06 0.00 -0.34 3.41 -1.26 -2.32 113.62 119.78 2kc0 n SER 117 Ca -0.06 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 2kc0 n SER 117 Cb 0.42 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2kc0 n SER 117 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kc0 n GLU 118 N 0.62 3.84 -0.03 4.33 1.02 -1.26 -4.79 120.64 124.37 2kc0 n GLU 118 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kc0 n GLU 118 Cb 0.35 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 2kc0 n GLU 118 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kc0 n HIS 119 N -1.10 0.00 0.00 -0.32 -0.00 -0.98 -5.07 115.22 107.76 2kc0 n HIS 119 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kc0 n HIS 119 Cb 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 2kc0 n HIS 119 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2kc0 n SER 120 N 0.00 0.00 -2.49 0.26 3.41 -1.17 -4.58 113.62 109.05 2kc0 n SER 120 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 2kc0 n SER 120 Cb 0.51 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 2kc0 n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kc0 n GLY 121 N -0.84 3.95 3.70 5.00 0.00 -1.26 -4.94 105.19 110.80 2kc0 n GLY 121 Ca 0.00 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.47 0.71 -3.72 1.61 5.02 -1.26 -5.05 118.16 115.00 2kc0 n LYS 122 Ca 0.25 -3.77 -0.12 0.00 -2.02 0.00 0.00 58.31 52.64 2kc0 n LYS 122 Cb 0.82 1.15 -0.10 0.00 -0.02 0.00 0.00 35.03 36.88 2kc0 n LYS 122 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2kc0 s MET 123 N -3.84 0.47 0.02 1.97 -2.45 -1.26 -4.19 119.30 110.02 2kc0 s MET 123 Ca 0.03 0.65 -0.04 0.00 -1.25 0.00 0.00 55.69 55.08 2kc0 s MET 123 Cb 0.00 0.17 -0.01 0.00 1.25 0.00 0.00 34.83 36.24 2kc0 s MET 123 CO 0.02 -0.09 0.05 0.14 1.05 0.00 0.00 175.02 176.20 2kc0 s VAL 124 N 0.54 0.12 -0.24 10.11 -7.23 0.22 -4.88 120.40 119.04 2kc0 s VAL 124 Ca -0.03 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.17 2kc0 s VAL 124 Cb -0.04 -0.63 0.05 0.00 0.56 0.00 0.00 36.38 36.32 2kc0 s VAL 124 CO -0.03 -0.55 -0.12 0.00 -0.31 0.00 0.00 175.10 174.09 2kc0 s ALA 125 N -2.05 2.48 -0.03 1.32 0.00 -1.26 -1.95 121.76 120.26 2kc0 s ALA 125 Ca -0.10 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.21 2kc0 s ALA 125 Cb -0.05 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.59 2kc0 s ALA 125 CO -0.02 -1.06 0.04 0.15 0.00 0.00 0.00 175.76 174.86 2kc0 s LYS 126 N 1.16 0.05 -1.19 0.00 3.01 -1.21 -5.01 119.74 116.54 2kc0 s LYS 126 Ca -0.06 0.25 -0.18 0.00 -1.01 0.00 0.00 55.97 54.96 2kc0 s LYS 126 Cb -0.19 -0.46 -0.03 0.00 -1.01 0.00 0.00 37.83 36.14 2kc0 s LYS 126 CO -0.06 -0.24 2.07 -2.13 0.51 0.00 0.00 175.35 175.49 2kc0 n ARG 127 N 4.74 2.35 -2.62 1.68 0.63 -1.25 -4.30 116.66 117.88 2kc0 n ARG 127 Ca -0.15 -2.39 -0.43 0.00 -0.92 0.00 0.00 57.85 53.96 2kc0 n ARG 127 Cb 0.50 -3.20 -0.00 0.00 0.45 0.00 0.00 32.46 30.20 2kc0 n ARG 127 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2kc0 s GLN 128 N 4.09 3.94 -0.64 -0.14 -0.44 -1.04 -4.91 119.66 120.52 2kc0 s GLN 128 Ca 0.52 -1.94 -0.16 0.00 -2.50 0.00 0.00 55.36 51.28 2kc0 s GLN 128 Cb 0.12 -5.45 0.15 0.00 -1.64 0.00 0.00 33.01 26.19 2kc0 s GLN 128 CO 0.01 -2.19 0.64 0.12 0.50 0.00 0.00 175.29 174.36 2kc0 s PHE 129 N 4.02 3.32 0.16 1.67 2.19 -1.26 -4.29 117.98 123.79 2kc0 s PHE 129 Ca 0.51 -1.41 0.06 0.00 0.33 0.00 0.00 56.93 56.43 2kc0 s PHE 129 Cb 0.03 -3.87 -0.04 0.00 -1.31 0.00 0.00 43.02 37.83 2kc0 s PHE 129 CO 0.04 -1.09 0.05 1.03 1.83 0.00 0.00 175.22 177.09 2kc0 s ARG 130 N 1.50 2.62 0.77 10.12 1.81 -1.26 -4.60 118.95 129.92 2kc0 s ARG 130 Ca 0.10 -0.98 -0.11 0.00 -1.72 0.00 0.00 55.73 53.02 2kc0 s ARG 130 Cb -0.23 -2.50 0.06 0.00 -0.45 0.00 0.00 34.95 31.84 2kc0 s ARG 130 CO 0.00 0.48 1.09 -1.50 -0.68 0.00 0.00 175.30 174.69 2kc0 s ILE 131 N -1.68 3.32 0.49 1.52 1.10 -1.26 -2.02 121.20 122.66 2kc0 s ILE 131 Ca 0.29 0.43 0.07 0.00 -0.51 0.00 0.00 60.65 60.93 2kc0 s ILE 131 Cb -0.10 -2.91 0.07 0.00 0.15 0.00 0.00 42.46 39.67 2kc0 s ILE 131 CO 0.20 -0.56 0.59 0.61 -2.11 0.00 0.00 174.94 173.68 2kc0 n GLY 132 N -1.21 2.19 3.85 1.50 0.00 -0.19 -4.74 105.19 106.59 2kc0 n GLY 132 Ca 0.09 -2.23 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 2kc0 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kc0 s ASP 133 N -3.98 5.55 -0.09 1.61 1.01 -1.26 -4.81 116.67 114.69 2kc0 s ASP 133 Ca 0.45 1.36 0.03 0.00 0.71 0.00 0.00 52.55 55.10 2kc0 s ASP 133 Cb -0.04 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 2kc0 s ASP 133 CO 0.29 -1.30 -0.18 -0.63 0.21 0.00 0.00 175.17 173.55 2kc0 s ILE 134 N -3.20 2.60 0.07 0.77 1.01 -1.26 -3.49 121.20 117.69 2kc0 s ILE 134 Ca 0.57 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 60.47 2kc0 s ILE 134 Cb -0.12 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 2kc0 s ILE 134 CO 0.54 0.55 -0.26 0.00 0.00 0.00 0.00 174.94 175.77 2kc0 s ALA 135 N 0.07 2.31 0.00 9.38 0.00 -0.90 -5.03 121.76 127.59 2kc0 s ALA 135 Ca -0.08 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2kc0 s ALA 135 Cb -0.15 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2kc0 s ALA 135 CO 0.05 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.76 2kc0 n GLY 136 N 1.54 3.40 3.69 0.00 0.00 -1.25 -1.49 105.19 111.09 2kc0 n GLY 136 Ca -0.17 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2kc0 n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kc0 s GLU 137 N -2.57 4.27 -0.11 1.61 0.41 -1.26 -4.97 118.70 116.08 2kc0 s GLU 137 Ca 0.00 2.00 -0.02 0.00 -0.41 0.00 0.00 54.97 56.54 2kc0 s GLU 137 Cb 0.00 -3.59 0.04 0.00 -1.78 0.00 0.00 34.13 28.80 2kc0 s GLU 137 CO 0.00 -0.60 0.03 -3.38 -0.49 0.00 0.00 175.26 170.82 2kc0 s HIS 138 N 2.48 0.56 -0.29 1.61 -3.43 -1.26 -3.76 115.29 111.20 2kc0 s HIS 138 Ca 0.65 -0.26 0.15 0.00 -0.80 0.00 0.00 55.06 54.79 2kc0 s HIS 138 Cb -0.32 -0.78 0.40 0.00 -1.43 0.00 0.00 32.58 30.46 2kc0 s HIS 138 CO 0.27 -0.39 1.40 0.25 -2.00 0.00 0.00 174.74 174.26 2kc0 n THR 139 N 5.17 0.30 -2.41 -5.38 -2.24 -1.26 -4.55 114.28 103.92 2kc0 n THR 139 Ca -0.07 -1.38 -0.03 0.00 -2.27 0.00 0.00 64.05 60.31 2kc0 n THR 139 Cb 0.49 1.04 0.03 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.17 -0.54 -0.26 3.42 3.41 -1.26 -4.99 113.62 112.23 2kc0 n SER 140 Ca -0.12 -2.08 -0.03 0.00 -0.26 0.00 0.00 58.87 56.38 2kc0 n SER 140 Cb 0.86 0.24 0.14 0.00 -0.26 0.00 0.00 64.21 65.19 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 0.82 1.10 0.00 7.33 3.57 -1.95 -2.07 116.94 125.74 2kc0 h PHE 141 Ca -0.42 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2kc0 h PHE 141 Cb 1.43 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2kc0 h PHE 141 CO -0.01 0.79 0.00 -0.25 -2.23 0.00 0.00 178.31 176.61 2kc0 n ASP 142 N -4.33 0.00 -0.59 0.41 9.92 -1.26 -1.23 116.55 119.48 2kc0 n ASP 142 Ca 0.08 0.04 0.10 0.00 -0.53 0.00 0.00 54.79 54.47 2kc0 n ASP 142 Cb 0.12 -0.23 0.03 0.00 -0.64 0.00 0.00 41.12 40.40 2kc0 n ASP 142 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2kc0 n LYS 143 N -1.23 1.60 -3.72 -1.24 4.76 -0.78 -4.90 118.16 112.65 2kc0 n LYS 143 Ca 0.06 -1.23 -0.36 0.00 -2.87 0.00 0.00 58.31 53.91 2kc0 n LYS 143 Cb 0.08 -1.39 -0.10 0.00 -1.84 0.00 0.00 35.03 31.78 2kc0 n LYS 143 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kc0 s LEU 144 N -2.08 3.99 0.65 -0.35 2.01 -0.36 -4.97 118.68 117.57 2kc0 s LEU 144 Ca 0.19 0.07 -0.11 0.00 0.01 0.00 0.00 54.13 54.29 2kc0 s LEU 144 Cb 0.16 -2.06 -0.02 0.00 0.01 0.00 0.00 46.19 44.28 2kc0 s LEU 144 CO 0.41 0.07 1.04 -2.16 1.01 0.00 0.00 176.35 176.72 2kc0 s PRO 145 N 1.03 3.26 -0.15 1.29 0.04 -1.26 -4.97 135.00 134.24 2kc0 s PRO 145 Ca 0.07 0.89 -0.00 0.00 0.04 0.00 0.00 61.00 61.99 2kc0 s PRO 145 Cb -0.14 -2.03 0.12 0.00 0.04 0.00 0.00 34.50 32.49 2kc0 s PRO 145 CO 0.04 -0.84 1.86 0.39 0.04 0.00 0.00 177.00 178.49 2kc0 n GLU 146 N -2.86 1.38 0.00 4.56 1.02 -1.26 -4.71 120.64 118.77 2kc0 n GLU 146 Ca 0.07 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 2kc0 n GLU 146 Cb 0.54 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 2kc0 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kc0 n GLY 147 N 0.78 -1.22 0.00 0.62 0.00 -1.26 -3.98 105.19 100.13 2kc0 n GLY 147 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2kc0 n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kc0 n GLY 148 N 0.89 5.20 3.85 -0.02 0.00 -1.26 -4.50 105.19 109.34 2kc0 n GLY 148 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 4.40 2.76 -0.08 1.61 3.03 -1.26 -0.31 118.95 129.10 2kc0 s ARG 149 Ca 0.00 -1.25 -0.02 0.00 2.03 0.00 0.00 55.73 56.49 2kc0 s ARG 149 Cb 0.00 -2.49 0.03 0.00 -1.03 0.00 0.00 34.95 31.46 2kc0 s ARG 149 CO 0.00 0.15 0.02 0.00 -1.13 0.00 0.00 175.30 174.34 2kc0 s ALA 150 N -2.28 0.61 0.51 7.88 0.00 -0.61 -4.93 121.76 122.94 2kc0 s ALA 150 Ca 0.39 -0.10 -0.18 0.00 0.00 0.00 0.00 51.96 52.07 2kc0 s ALA 150 Cb -0.06 -0.76 -0.08 0.00 0.00 0.00 0.00 23.12 22.22 2kc0 s ALA 150 CO 0.26 -0.54 1.00 0.99 0.00 0.00 0.00 175.76 177.47 2kc0 s THR 151 N 2.01 4.19 0.03 0.00 2.01 -1.26 -2.25 115.64 120.37 2kc0 s THR 151 Ca 0.04 1.17 -0.04 0.00 0.31 0.00 0.00 61.69 63.18 2kc0 s THR 151 Cb -0.13 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2kc0 s THR 151 CO -0.05 -0.48 0.06 -0.31 -0.69 0.00 0.00 174.62 173.15 2kc0 s TYR 152 N -2.37 0.22 -0.23 4.92 2.02 -0.00 -4.80 117.35 117.11 2kc0 s TYR 152 Ca 0.62 -0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 56.81 2kc0 s TYR 152 Cb -0.12 -0.16 0.02 0.00 -0.40 0.00 0.00 41.96 41.30 2kc0 s TYR 152 CO 0.26 -0.31 -0.10 0.50 -1.57 0.00 0.00 175.55 174.33 2kc0 s ARG 153 N -2.26 2.90 0.37 -0.62 3.00 -1.26 -2.58 118.95 118.50 2kc0 s ARG 153 Ca -0.08 -0.92 0.08 0.00 -1.00 0.00 0.00 55.73 53.81 2kc0 s ARG 153 Cb -0.03 -2.87 -0.07 0.00 0.00 0.00 0.00 34.95 31.97 2kc0 s ARG 153 CO -0.03 -0.34 -0.04 0.20 0.00 0.00 0.00 175.30 175.09 2kc0 s GLY 154 N 1.32 2.32 -0.06 8.12 0.00 0.13 -3.79 107.32 115.36 2kc0 s GLY 154 Ca 0.01 -2.19 0.04 0.00 0.00 0.00 0.00 44.72 42.59 2kc0 s GLY 154 CO -0.07 -2.05 -0.19 -1.59 0.00 0.00 0.00 173.10 169.21 2kc0 s THR 155 N -2.70 1.61 -0.20 0.90 2.01 -0.39 -1.73 115.64 115.13 2kc0 s THR 155 Ca 0.34 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 2kc0 s THR 155 Cb 0.06 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 2kc0 s THR 155 CO 0.17 0.46 0.11 0.00 -0.69 0.00 0.00 174.62 174.67 2kc0 s ALA 156 N 0.13 3.56 -0.06 7.40 0.00 -0.81 -3.37 121.76 128.60 2kc0 s ALA 156 Ca -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 2kc0 s ALA 156 Cb -0.14 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 20.90 2kc0 s ALA 156 CO 0.04 0.07 -0.01 -0.59 0.00 0.00 0.00 175.76 175.27 2kc0 s PHE 157 N 0.54 0.68 -0.66 0.00 -0.71 -1.19 -4.25 117.98 112.40 2kc0 s PHE 157 Ca 0.06 -0.18 0.00 0.00 -1.04 0.00 0.00 56.93 55.77 2kc0 s PHE 157 Cb -0.12 -0.76 0.00 0.00 -1.21 0.00 0.00 43.02 40.93 2kc0 s PHE 157 CO 0.00 -0.29 0.00 0.41 -1.34 0.00 0.00 175.22 174.00 2kc0 n GLY 158 N 4.86 -1.30 3.57 1.99 0.00 -1.26 -0.83 105.19 112.22 2kc0 n GLY 158 Ca -0.12 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 2kc0 n GLY 158 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kc0 s SER 159 N -1.52 5.25 0.00 1.61 0.15 -1.26 -2.79 113.70 115.14 2kc0 s SER 159 Ca 0.00 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2kc0 s SER 159 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2kc0 s SER 159 CO 0.00 -2.28 0.00 -0.67 1.20 0.00 0.00 173.24 171.49 2kc0 n ASP 160 N 12.75 -1.73 -0.10 5.45 -0.08 -1.26 -4.82 116.55 126.75 2kc0 n ASP 160 Ca 0.26 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.66 2kc0 n ASP 160 Cb 0.51 -2.22 0.25 0.00 2.34 0.00 0.00 41.12 41.99 2kc0 n ASP 160 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kc0 n ASP 161 N -0.25 0.78 0.00 1.67 9.92 -1.12 -4.53 116.55 123.02 2kc0 n ASP 161 Ca 0.00 -0.58 0.02 0.00 -0.53 0.00 0.00 54.79 53.70 2kc0 n ASP 161 Cb 0.13 0.29 0.09 0.00 -0.64 0.00 0.00 41.12 40.98 2kc0 n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kc0 n ALA 162 N -1.16 1.48 0.17 2.24 0.00 -1.22 -1.29 120.51 120.72 2kc0 n ALA 162 Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.51 2kc0 n ALA 162 Cb 0.34 -1.05 0.28 0.00 0.00 0.00 0.00 19.45 19.02 2kc0 n ALA 162 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kc0 h GLY 163 N 0.53 0.00 -4.64 0.00 0.00 -1.82 -3.46 103.07 93.68 2kc0 h GLY 163 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2kc0 h GLY 163 CO 0.00 0.00 0.54 -0.32 0.00 0.00 0.00 176.54 176.76 2kc0 s GLY 164 N -4.38 2.45 0.25 4.60 0.00 -0.41 -4.93 107.32 104.90 2kc0 s GLY 164 Ca -0.02 0.50 0.11 0.00 0.00 0.00 0.00 44.72 45.31 2kc0 s GLY 164 CO 0.74 1.93 -0.18 0.54 0.00 0.00 0.00 173.10 176.13 2kc0 s LYS 165 N 1.73 1.75 0.06 2.90 3.01 -1.26 -1.93 119.74 126.00 2kc0 s LYS 165 Ca 0.51 -1.62 -0.04 0.00 -1.01 0.00 0.00 55.97 53.81 2kc0 s LYS 165 Cb -0.21 -1.87 -0.02 0.00 -1.01 0.00 0.00 37.83 34.72 2kc0 s LYS 165 CO 0.22 0.36 0.06 -0.48 0.51 0.00 0.00 175.35 176.02 2kc0 s LEU 166 N -3.26 2.04 -0.24 3.17 -0.00 -0.71 -1.74 118.68 117.93 2kc0 s LEU 166 Ca 0.27 -0.78 -0.06 0.00 -0.00 0.00 0.00 54.13 53.56 2kc0 s LEU 166 Cb -0.06 0.52 -0.01 0.00 -0.00 0.00 0.00 46.19 46.63 2kc0 s LEU 166 CO 0.14 -0.61 0.02 -0.89 -0.00 0.00 0.00 176.35 175.02 2kc0 s THR 167 N -3.53 3.84 -0.01 5.48 2.01 -0.19 -0.69 115.64 122.54 2kc0 s THR 167 Ca 0.03 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 2kc0 s THR 167 Cb 0.05 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 2kc0 s THR 167 CO -0.09 0.35 0.09 -0.47 -0.69 0.00 0.00 174.62 173.81 2kc0 s TYR 168 N 1.54 3.30 -0.03 4.92 5.04 -1.06 -1.20 117.35 129.85 2kc0 s TYR 168 Ca 0.06 0.22 -0.05 0.00 -2.44 0.00 0.00 57.07 54.86 2kc0 s TYR 168 Cb -0.15 -1.74 0.01 0.00 0.35 0.00 0.00 41.96 40.42 2kc0 s TYR 168 CO 0.00 0.56 0.11 -0.08 -1.34 0.00 0.00 175.55 174.81 2kc0 s THR 169 N -1.20 0.03 0.12 4.34 -1.32 -0.20 -0.82 115.64 116.59 2kc0 s THR 169 Ca 0.23 -0.22 0.10 0.00 -1.21 0.00 0.00 61.69 60.59 2kc0 s THR 169 Cb -0.12 -0.24 -0.04 0.00 -1.51 0.00 0.00 72.50 70.59 2kc0 s THR 169 CO 0.14 -0.12 -0.23 -0.51 -2.21 0.00 0.00 174.62 171.69 2kc0 s ILE 170 N -0.37 2.52 -0.45 5.08 2.07 -0.95 -1.01 121.20 128.08 2kc0 s ILE 170 Ca -0.04 -1.65 -0.02 0.00 -1.41 0.00 0.00 60.65 57.53 2kc0 s ILE 170 Cb -0.03 -2.13 0.12 0.00 0.13 0.00 0.00 42.46 40.55 2kc0 s ILE 170 CO 0.00 0.09 0.24 -1.81 -1.91 0.00 0.00 174.94 171.56 2kc0 s ASP 171 N -2.10 5.16 0.38 4.50 1.11 -0.23 -1.58 116.67 123.92 2kc0 s ASP 171 Ca 0.16 -2.27 0.06 0.00 0.18 0.00 0.00 52.55 50.67 2kc0 s ASP 171 Cb -0.10 -1.81 0.78 0.00 1.07 0.00 0.00 42.92 42.86 2kc0 s ASP 171 CO 0.08 -0.48 2.02 -0.26 1.18 0.00 0.00 175.17 177.71 2kc0 h PHE 172 N 7.71 0.64 0.00 4.23 -1.00 -0.96 0.16 116.94 127.73 2kc0 h PHE 172 Ca -0.09 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.67 2kc0 h PHE 172 Cb 1.02 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 40.36 2kc0 h PHE 172 CO 0.58 0.39 -0.14 0.00 -1.61 0.00 0.00 178.31 177.52 2kc0 h ALA 173 N 1.67 1.08 -0.01 2.45 0.00 -1.68 -3.23 119.26 119.55 2kc0 h ALA 173 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kc0 h ALA 173 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kc0 h ALA 173 CO -0.05 0.17 -0.19 0.00 0.00 0.00 0.00 179.25 179.18 2kc0 n ALA 174 N -2.20 2.77 -2.12 0.00 0.00 -0.66 -5.02 120.51 113.28 2kc0 n ALA 174 Ca -0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 52.85 2kc0 n ALA 174 Cb 0.34 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 2kc0 n ALA 174 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kc0 n LYS 175 N -0.33 -1.43 -4.95 0.00 3.00 0.47 -5.01 118.16 109.91 2kc0 n LYS 175 Ca 0.03 0.98 -0.27 0.00 -0.00 0.00 0.00 58.31 59.05 2kc0 n LYS 175 Cb 0.18 -5.44 -0.16 0.00 0.00 0.00 0.00 35.03 29.61 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2kc0 s GLN 176 N -4.54 1.74 -0.22 1.64 -0.21 -1.11 -3.78 119.66 113.19 2kc0 s GLN 176 Ca 0.00 -0.70 -0.02 0.00 0.02 0.00 0.00 55.36 54.66 2kc0 s GLN 176 Cb 0.00 -1.60 0.01 0.00 1.00 0.00 0.00 33.01 32.41 2kc0 s GLN 176 CO 0.00 0.37 -0.08 0.20 -2.12 0.00 0.00 175.29 173.66 2kc0 s GLY 177 N -0.29 1.57 0.46 3.09 0.00 -0.08 -1.06 107.32 111.00 2kc0 s GLY 177 Ca 0.03 -1.27 0.03 0.00 0.00 0.00 0.00 44.72 43.51 2kc0 s GLY 177 CO 0.00 0.43 0.03 0.21 0.00 0.00 0.00 173.10 173.77 2kc0 s ASN 178 N 1.39 3.72 0.00 1.64 3.84 -0.18 -1.70 114.94 123.66 2kc0 s ASN 178 Ca 0.04 -1.59 0.00 0.00 0.21 0.00 0.00 52.86 51.52 2kc0 s ASN 178 Cb -0.15 0.32 0.00 0.00 -0.55 0.00 0.00 41.25 40.87 2kc0 s ASN 178 CO -0.06 -0.78 0.00 0.61 -2.79 0.00 0.00 177.10 174.08 2kc0 n GLY 179 N -1.11 2.07 3.64 1.21 0.00 -1.26 -1.04 105.19 108.71 2kc0 n GLY 179 Ca -0.13 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 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 0.31 0.30 0.22 1.61 -2.85 -0.34 -3.92 119.74 115.06 2kc0 s LYS 180 Ca 0.00 0.40 -0.29 0.00 -1.00 0.00 0.00 55.97 55.08 2kc0 s LYS 180 Cb 0.00 0.12 -0.09 0.00 -2.06 0.00 0.00 37.83 35.81 2kc0 s LYS 180 CO 0.00 -0.04 0.91 0.42 0.10 0.00 0.00 175.35 176.74 2kc0 s ILE 181 N 0.46 4.16 -0.26 3.79 -1.09 -0.91 -1.03 121.20 126.32 2kc0 s ILE 181 Ca 0.01 2.01 -0.09 0.00 -2.23 0.00 0.00 60.65 60.36 2kc0 s ILE 181 Cb -0.04 -4.29 0.11 0.00 -1.58 0.00 0.00 42.46 36.66 2kc0 s ILE 181 CO -0.11 0.49 0.56 -0.70 -1.23 0.00 0.00 174.94 173.95 2kc0 s GLU 182 N -1.09 0.48 0.00 2.79 2.12 -0.71 -4.33 118.70 117.96 2kc0 s GLU 182 Ca 0.40 1.29 0.00 0.00 0.36 0.00 0.00 54.97 57.03 2kc0 s GLU 182 Cb -0.25 0.66 0.00 0.00 0.26 0.00 0.00 34.13 34.80 2kc0 s GLU 182 CO 0.31 -0.22 0.00 1.58 -0.54 0.00 0.00 175.26 176.39 2kc0 n HIS 183 N 5.43 0.00 -1.74 5.30 -0.00 -1.26 -4.40 115.22 118.55 2kc0 n HIS 183 Ca -0.11 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.76 2kc0 n HIS 183 Cb 0.49 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.39 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 3.18 0.59 0.27 2.01 -1.26 -4.96 118.68 118.51 2kc0 s LEU 184 Ca 0.00 1.50 0.30 0.00 0.01 0.00 0.00 54.13 55.93 2kc0 s LEU 184 Cb 0.00 -4.47 1.79 0.00 0.01 0.00 0.00 46.19 43.53 2kc0 s LEU 184 CO 0.00 -1.13 2.22 0.07 1.01 0.00 0.00 176.35 178.52 2kc0 h LYS 185 N -0.50 0.00 -4.50 1.70 5.09 -2.01 -3.41 116.57 112.93 2kc0 h LYS 185 Ca -0.44 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.05 2kc0 h LYS 185 Cb 1.20 0.00 -0.20 0.00 0.10 0.00 0.00 32.23 33.33 2kc0 h LYS 185 CO 0.60 0.00 -0.73 -1.54 -2.09 0.00 0.00 179.45 175.69 2kc0 s SER 186 N -6.06 0.80 0.23 7.07 1.04 -1.26 -5.08 113.70 110.44 2kc0 s SER 186 Ca -0.05 -0.60 -0.07 0.00 0.48 0.00 0.00 55.95 55.71 2kc0 s SER 186 Cb 0.15 0.05 0.21 0.00 0.10 0.00 0.00 66.02 66.54 2kc0 s SER 186 CO 0.54 -0.25 1.88 1.55 0.98 0.00 0.00 173.24 177.95 2kc0 h PRO 187 N 4.34 1.23 0.00 4.02 0.13 -1.99 -3.12 132.00 136.61 2kc0 h PRO 187 Ca -0.35 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2kc0 h PRO 187 Cb 1.20 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kc0 h PRO 187 CO 0.43 0.86 -0.04 0.93 -0.23 0.00 0.00 178.00 179.95 2kc0 h GLU 188 N 1.25 0.00 0.00 0.86 3.07 -1.98 -2.48 114.58 115.30 2kc0 h GLU 188 Ca 0.33 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.18 2kc0 h GLU 188 Cb -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2kc0 h GLU 188 CO -0.06 0.04 -0.02 -0.07 -1.40 0.00 0.00 179.01 177.50 2kc0 h LEU 189 N 0.00 0.00 -9.46 1.33 3.38 -1.95 -3.45 115.31 105.15 2kc0 h LEU 189 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2kc0 h LEU 189 Cb 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2kc0 h LEU 189 CO 0.01 0.02 0.18 0.20 0.09 0.00 0.00 178.44 178.94 2kc0 s ASN 190 N -5.98 7.18 0.09 -0.43 0.01 -0.94 -4.85 114.94 110.03 2kc0 s ASN 190 Ca 0.04 1.42 -0.00 0.00 -0.71 0.00 0.00 52.86 53.61 2kc0 s ASN 190 Cb 0.07 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 2kc0 s ASN 190 CO 0.61 -0.07 0.25 0.68 -1.51 0.00 0.00 177.10 177.05 2kc0 s VAL 191 N 0.38 5.35 0.72 1.60 -7.23 -1.26 -4.95 120.40 115.02 2kc0 s VAL 191 Ca 0.41 -0.38 -0.12 0.00 -1.81 0.00 0.00 61.98 60.08 2kc0 s VAL 191 Cb -0.20 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.13 2kc0 s VAL 191 CO 0.23 0.09 1.10 -1.81 -0.31 0.00 0.00 175.10 174.39 2kc0 s ASP 192 N -2.62 4.79 -0.05 4.85 1.01 -1.26 -2.15 116.67 121.24 2kc0 s ASP 192 Ca 0.36 1.88 0.05 0.00 0.71 0.00 0.00 52.55 55.54 2kc0 s ASP 192 Cb -0.13 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 2kc0 s ASP 192 CO 0.28 -1.85 -0.19 -0.22 0.21 0.00 0.00 175.17 173.40 2kc0 s LEU 193 N -5.49 2.45 -0.30 1.23 2.96 -1.25 -3.77 118.68 114.50 2kc0 s LEU 193 Ca 0.63 -0.32 -0.28 0.00 -0.22 0.00 0.00 54.13 53.94 2kc0 s LEU 193 Cb -0.18 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.05 2kc0 s LEU 193 CO 0.50 0.31 1.03 0.00 -1.32 0.00 0.00 176.35 176.87 2kc0 s ALA 194 N -0.53 3.53 0.13 5.97 0.00 -1.04 -4.45 121.76 125.38 2kc0 s ALA 194 Ca 0.07 -0.07 -0.32 0.00 0.00 0.00 0.00 51.96 51.64 2kc0 s ALA 194 Cb -0.11 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 2kc0 s ALA 194 CO 0.01 -1.38 1.77 0.00 0.00 0.00 0.00 175.76 176.17 2kc0 n ALA 195 N 6.69 2.11 -2.34 0.00 0.00 -1.26 -4.25 120.51 121.46 2kc0 n ALA 195 Ca 0.11 0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.75 2kc0 n ALA 195 Cb 0.47 -2.53 -0.10 0.00 0.00 0.00 0.00 19.45 17.29 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 2.17 1.51 0.49 0.00 0.00 -0.69 -4.98 121.76 120.27 2kc0 s ALA 196 Ca 0.81 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2kc0 s ALA 196 Cb -0.54 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2kc0 s ALA 196 CO 0.37 -0.03 0.08 0.16 0.00 0.00 0.00 175.76 176.35 2kc0 s ASP 197 N -2.97 4.20 0.20 0.00 -4.77 -1.26 -0.90 116.67 111.17 2kc0 s ASP 197 Ca 0.15 -1.50 -0.30 0.00 -3.30 0.00 0.00 52.55 47.60 2kc0 s ASP 197 Cb 0.00 0.29 -0.08 0.00 -1.09 0.00 0.00 42.92 42.04 2kc0 s ASP 197 CO 0.02 -0.81 1.24 -0.63 0.70 0.00 0.00 175.17 175.68 2kc0 s ILE 198 N -2.81 3.40 0.58 2.11 -1.09 -1.25 -3.77 121.20 118.37 2kc0 s ILE 198 Ca 0.17 1.19 -0.16 0.00 -2.23 0.00 0.00 60.65 59.62 2kc0 s ILE 198 Cb 0.02 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2kc0 s ILE 198 CO 0.10 0.19 1.05 -1.59 -1.23 0.00 0.00 174.94 173.46 2kc0 s LYS 199 N -0.32 3.42 -0.37 2.79 -2.85 -0.84 -4.99 119.74 116.58 2kc0 s LYS 199 Ca 0.54 1.17 -0.28 0.00 -1.00 0.00 0.00 55.97 56.39 2kc0 s LYS 199 Cb -0.34 -2.05 -0.01 0.00 -2.06 0.00 0.00 37.83 33.36 2kc0 s LYS 199 CO 0.38 -0.72 1.75 -1.25 0.10 0.00 0.00 175.35 175.61 2kc0 s PRO 200 N -4.06 3.31 0.00 1.78 0.04 -1.26 -4.69 135.00 130.11 2kc0 s PRO 200 Ca 0.63 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2kc0 s PRO 200 Cb -0.15 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2kc0 s PRO 200 CO 0.36 -1.89 0.00 -3.47 0.04 0.00 0.00 177.00 172.03 2kc0 n ASP 201 N 10.30 0.00 0.00 6.66 -0.08 -1.26 -5.09 116.55 127.08 2kc0 n ASP 201 Ca 0.22 -0.94 0.00 0.00 -1.51 0.00 0.00 54.79 52.56 2kc0 n ASP 201 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 2kc0 n ASP 201 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kc0 n GLY 202 N 0.00 -0.34 0.21 0.27 0.00 -1.21 -4.91 105.19 99.21 2kc0 n GLY 202 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 0.00 1.61 2.10 -2.02 -3.39 116.57 114.87 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 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2kc0 h LYS 203 CO 0.00 0.30 -0.26 0.54 -2.00 0.00 0.00 179.45 178.03 2kc0 n ARG 204 N -3.75 0.00 -3.56 0.07 5.12 -1.26 -5.17 116.66 108.10 2kc0 n ARG 204 Ca -0.01 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.90 2kc0 n ARG 204 Cb 0.40 -0.44 0.02 0.00 -1.16 0.00 0.00 32.46 31.27 2kc0 n ARG 204 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2kc0 n HIS 205 N -2.08 -0.95 -2.52 -1.55 1.44 -1.26 -4.38 115.22 103.91 2kc0 n HIS 205 Ca 0.00 -0.93 -0.24 0.00 -2.01 0.00 0.00 57.72 54.54 2kc0 n HIS 205 Cb 0.13 0.45 0.10 0.00 0.12 0.00 0.00 29.99 30.79 2kc0 n HIS 205 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kc0 s ALA 206 N -1.87 3.59 0.10 1.59 0.00 -1.26 -3.36 121.76 120.55 2kc0 s ALA 206 Ca 0.21 -1.59 -0.19 0.00 0.00 0.00 0.00 51.96 50.39 2kc0 s ALA 206 Cb -0.02 -2.11 0.05 0.00 0.00 0.00 0.00 23.12 21.04 2kc0 s ALA 206 CO 0.03 -1.43 0.47 0.08 0.00 0.00 0.00 175.76 174.91 2kc0 s VAL 207 N -3.15 0.04 -0.08 0.00 1.01 -1.26 -4.93 120.40 112.03 2kc0 s VAL 207 Ca 0.65 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2kc0 s VAL 207 Cb -0.06 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2kc0 s VAL 207 CO 0.44 -0.20 -0.13 -0.63 0.00 0.00 0.00 175.10 174.58 2kc0 s ILE 208 N -3.22 3.16 -0.18 2.22 -1.09 -0.46 -2.00 121.20 119.63 2kc0 s ILE 208 Ca -0.01 -0.66 -0.03 0.00 -2.23 0.00 0.00 60.65 57.72 2kc0 s ILE 208 Cb 0.00 -2.28 0.06 0.00 -1.58 0.00 0.00 42.46 38.66 2kc0 s ILE 208 CO -0.08 0.57 0.03 -0.55 -1.23 0.00 0.00 174.94 173.68 2kc0 s SER 209 N -0.33 2.80 0.14 3.58 0.15 -1.25 -2.22 113.70 116.58 2kc0 s SER 209 Ca 0.03 -0.76 0.02 0.00 0.70 0.00 0.00 55.95 55.94 2kc0 s SER 209 Cb -0.13 -0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 63.60 2kc0 s SER 209 CO 0.02 -0.30 0.07 0.61 1.20 0.00 0.00 173.24 174.84 2kc0 n GLY 210 N 5.06 3.74 3.46 9.45 0.00 -0.33 -4.66 105.19 121.92 2kc0 n GLY 210 Ca -0.09 -1.93 -0.27 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.92 3.65 -0.16 1.61 0.01 -1.26 -0.94 113.70 114.69 2kc0 s SER 211 Ca 0.10 -0.77 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 2kc0 s SER 211 Cb 0.00 -0.38 0.04 0.00 0.21 0.00 0.00 66.02 65.90 2kc0 s SER 211 CO 0.07 0.12 -0.03 -0.69 0.41 0.00 0.00 173.24 173.12 2kc0 s VAL 212 N -1.60 0.91 -0.14 3.43 1.01 -0.64 -2.48 120.40 120.89 2kc0 s VAL 212 Ca 0.21 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 2kc0 s VAL 212 Cb -0.08 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2kc0 s VAL 212 CO 0.11 0.07 0.72 -0.22 0.00 0.00 0.00 175.10 175.77 2kc0 s LEU 213 N 1.72 4.22 -0.22 3.92 1.98 -1.25 -1.14 118.68 127.91 2kc0 s LEU 213 Ca 0.01 1.08 0.01 0.00 -2.89 0.00 0.00 54.13 52.33 2kc0 s LEU 213 Cb -0.15 -3.07 0.03 0.00 0.66 0.00 0.00 46.19 43.66 2kc0 s LEU 213 CO -0.07 -0.25 -0.14 -0.47 -1.89 0.00 0.00 176.35 173.53 2kc0 s TYR 214 N 1.53 2.98 -1.39 5.38 5.04 0.01 -4.60 117.35 126.31 2kc0 s TYR 214 Ca 0.35 -1.80 -0.06 0.00 -2.44 0.00 0.00 57.07 53.12 2kc0 s TYR 214 Cb -0.17 -1.96 0.04 0.00 0.35 0.00 0.00 41.96 40.22 2kc0 s TYR 214 CO 0.14 -0.80 0.47 -1.71 -1.34 0.00 0.00 175.55 172.31 2kc0 n ASN 215 N 4.58 -4.78 -3.23 4.32 5.15 -1.26 -1.09 115.26 118.95 2kc0 n ASN 215 Ca -0.18 -0.28 -0.23 0.00 -0.60 0.00 0.00 54.58 53.29 2kc0 n ASN 215 Cb 0.47 -3.92 0.05 0.00 -0.53 0.00 0.00 39.78 35.85 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 -3.74 -6.03 -0.09 1.20 1.13 -1.26 -4.94 117.38 103.66 2kc0 n GLN 216 Ca -0.08 0.88 0.00 0.00 -1.94 0.00 0.00 57.00 55.87 2kc0 n GLN 216 Cb 0.59 -5.82 0.00 0.00 0.11 0.00 0.00 30.24 25.11 2kc0 n GLN 216 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kc0 n ALA 217 N -4.09 0.00 -0.58 -1.58 0.00 -0.25 -5.18 120.51 108.83 2kc0 n ALA 217 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.38 2kc0 n ALA 217 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 2kc0 n ALA 217 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kc0 n GLU 218 N 0.00 -0.13 -3.29 0.00 4.71 -1.25 -0.81 120.64 119.88 2kc0 n GLU 218 Ca 0.00 0.09 -0.09 0.00 -0.01 0.00 0.00 57.16 57.15 2kc0 n GLU 218 Cb 0.00 -0.16 -0.05 0.00 -1.01 0.00 0.00 31.44 30.23 2kc0 n GLU 218 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2kc0 s LYS 219 N -0.13 0.69 0.39 3.49 2.20 -1.26 -4.54 119.74 120.57 2kc0 s LYS 219 Ca 0.00 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.16 2kc0 s LYS 219 Cb 0.00 -0.34 0.07 0.00 -1.51 0.00 0.00 37.83 36.05 2kc0 s LYS 219 CO 0.00 -1.17 0.54 0.41 -0.36 0.00 0.00 175.35 174.77 2kc0 n GLY 220 N 4.45 1.63 3.01 5.54 0.00 -0.30 -4.09 105.19 115.44 2kc0 n GLY 220 Ca 0.10 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.35 0.23 0.04 1.61 1.04 0.38 -1.62 113.70 112.04 2kc0 s SER 221 Ca 0.39 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.35 2kc0 s SER 221 Cb -0.03 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 2kc0 s SER 221 CO 0.25 -0.35 -0.10 -0.72 0.98 0.00 0.00 173.24 173.31 2kc0 s TYR 222 N -1.74 0.86 -0.02 5.02 -0.85 -0.12 -0.78 117.35 119.72 2kc0 s TYR 222 Ca -0.13 -0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.04 2kc0 s TYR 222 Cb -0.08 -0.51 0.00 0.00 0.38 0.00 0.00 41.96 41.76 2kc0 s TYR 222 CO -0.02 -0.02 -0.08 0.45 -1.52 0.00 0.00 175.55 174.36 2kc0 s SER 223 N -1.30 1.13 0.29 -0.18 0.15 0.09 -1.18 113.70 112.70 2kc0 s SER 223 Ca -0.04 -0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.25 2kc0 s SER 223 Cb -0.08 -0.29 0.02 0.00 -1.71 0.00 0.00 66.02 63.95 2kc0 s SER 223 CO 0.01 0.06 0.69 -1.48 1.20 0.00 0.00 173.24 173.71 2kc0 s LEU 224 N 0.18 -0.11 0.26 3.45 0.05 -0.94 -0.75 118.68 120.82 2kc0 s LEU 224 Ca -0.03 -0.75 -0.06 0.00 0.05 0.00 0.00 54.13 53.34 2kc0 s LEU 224 Cb -0.08 2.57 -0.01 0.00 -2.05 0.00 0.00 46.19 46.61 2kc0 s LEU 224 CO 0.00 -1.36 0.37 -0.83 -0.55 0.00 0.00 176.35 173.98 2kc0 s GLY 225 N -2.96 1.09 0.22 -3.48 0.00 -0.93 -1.35 107.32 99.92 2kc0 s GLY 225 Ca 0.14 -1.32 -0.17 0.00 0.00 0.00 0.00 44.72 43.37 2kc0 s GLY 225 CO 0.08 -0.98 0.68 -1.50 0.00 0.00 0.00 173.10 171.39 2kc0 s ILE 226 N -3.82 4.67 0.07 0.90 1.10 -1.26 -3.02 121.20 119.84 2kc0 s ILE 226 Ca 0.30 1.08 0.05 0.00 -0.51 0.00 0.00 60.65 61.57 2kc0 s ILE 226 Cb 0.02 -3.77 -0.03 0.00 0.15 0.00 0.00 42.46 38.82 2kc0 s ILE 226 CO 0.13 0.13 -0.14 -0.36 -2.11 0.00 0.00 174.94 172.59 2kc0 s PHE 227 N -1.61 1.20 0.17 3.50 0.40 0.29 -4.80 117.98 117.14 2kc0 s PHE 227 Ca 0.44 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 2kc0 s PHE 227 Cb -0.15 -0.68 0.00 0.00 0.51 0.00 0.00 43.02 42.70 2kc0 s PHE 227 CO 0.20 0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.58 2kc0 n GLY 228 N 1.29 -3.16 0.00 4.36 0.00 -1.25 -3.02 105.19 103.41 2kc0 n GLY 228 Ca -0.21 -1.18 0.04 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.86 -0.43 3.18 -0.02 0.00 -1.26 -4.09 105.19 100.71 2kc0 n GLY 229 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.99 2kc0 n GLY 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc0 s LYS 230 N -2.31 0.72 -0.90 1.61 -2.85 -1.26 -4.83 119.74 109.91 2kc0 s LYS 230 Ca 0.11 -0.02 -0.08 0.00 -1.00 0.00 0.00 55.97 54.98 2kc0 s LYS 230 Cb 0.06 0.14 0.07 0.00 -2.06 0.00 0.00 37.83 36.04 2kc0 s LYS 230 CO 0.12 -1.11 0.27 0.00 0.10 0.00 0.00 175.35 174.73 2kc0 n ALA 231 N 4.69 -1.03 0.10 0.59 0.00 -1.26 -4.88 120.51 118.72 2kc0 n ALA 231 Ca 0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 2kc0 n ALA 231 Cb 0.56 -1.72 -0.08 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.47 -0.29 -2.72 0.00 5.75 -1.77 -3.43 115.11 112.18 2kc0 h GLN 232 Ca -0.29 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.32 2kc0 h GLN 232 Cb 1.19 0.07 -0.08 0.00 1.07 0.00 0.00 27.48 29.73 2kc0 h GLN 232 CO 0.39 0.08 0.33 -1.83 -2.65 0.00 0.00 178.83 175.15 2kc0 s GLU 233 N -4.13 1.42 0.03 1.69 -1.05 -1.17 -1.81 118.70 113.68 2kc0 s GLU 233 Ca -0.14 -0.73 0.04 0.00 -0.15 0.00 0.00 54.97 54.00 2kc0 s GLU 233 Cb 0.01 0.52 -0.02 0.00 -0.44 0.00 0.00 34.13 34.21 2kc0 s GLU 233 CO 0.52 -0.64 -0.13 0.14 0.95 0.00 0.00 175.26 176.10 2kc0 s VAL 234 N -3.61 1.04 0.10 1.83 -7.23 0.16 -0.54 120.40 112.15 2kc0 s VAL 234 Ca 0.09 -0.88 -0.10 0.00 -1.81 0.00 0.00 61.98 59.27 2kc0 s VAL 234 Cb -0.03 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 35.98 2kc0 s VAL 234 CO 0.00 0.05 0.25 0.00 -0.31 0.00 0.00 175.10 175.09 2kc0 s ALA 235 N -0.73 -0.39 0.00 1.32 0.00 -1.17 -2.10 121.76 118.70 2kc0 s ALA 235 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2kc0 s ALA 235 Cb -0.07 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2kc0 s ALA 235 CO 0.01 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.63 2kc0 n GLY 236 N -0.11 -0.63 3.27 0.00 0.00 -1.19 -2.19 105.19 104.35 2kc0 n GLY 236 Ca -0.15 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.17 -0.02 1.61 1.04 0.07 -1.02 113.70 111.20 2kc0 s SER 237 Ca 0.00 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.35 2kc0 s SER 237 Cb 0.00 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 2kc0 s SER 237 CO 0.00 -0.62 -0.14 0.00 0.98 0.00 0.00 173.24 173.46 2kc0 s ALA 238 N -2.46 1.21 -0.08 5.32 0.00 0.04 -0.74 121.76 125.06 2kc0 s ALA 238 Ca -0.06 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2kc0 s ALA 238 Cb -0.01 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.76 2kc0 s ALA 238 CO -0.03 0.25 -0.08 -2.00 0.00 0.00 0.00 175.76 173.90 2kc0 s GLU 239 N -0.09 1.38 -0.08 0.00 2.12 0.04 -0.57 118.70 121.51 2kc0 s GLU 239 Ca 0.01 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.10 2kc0 s GLU 239 Cb -0.08 -1.32 0.02 0.00 0.26 0.00 0.00 34.13 33.01 2kc0 s GLU 239 CO 0.00 -0.12 -0.11 0.54 -0.54 0.00 0.00 175.26 175.04 2kc0 s VAL 240 N 1.17 1.07 -0.15 3.70 0.11 -0.34 -0.47 120.40 125.50 2kc0 s VAL 240 Ca -0.06 -0.41 -0.05 0.00 -2.93 0.00 0.00 61.98 58.53 2kc0 s VAL 240 Cb -0.14 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 2kc0 s VAL 240 CO -0.02 0.35 0.04 -1.59 -3.33 0.00 0.00 175.10 170.55 2kc0 s LYS 241 N 0.92 3.62 0.15 1.54 -2.85 -1.26 -0.57 119.74 121.29 2kc0 s LYS 241 Ca -0.10 -0.36 -0.02 0.00 -1.00 0.00 0.00 55.97 54.49 2kc0 s LYS 241 Cb -0.15 -3.07 -0.04 0.00 -2.06 0.00 0.00 37.83 32.52 2kc0 s LYS 241 CO 0.01 0.44 0.11 0.99 0.10 0.00 0.00 175.35 177.00 2kc0 s THR 242 N -0.13 0.08 0.56 3.79 2.01 -0.10 -4.26 115.64 117.58 2kc0 s THR 242 Ca 0.06 -1.85 0.29 0.00 0.31 0.00 0.00 61.69 60.49 2kc0 s THR 242 Cb -0.12 -2.11 0.42 0.00 0.01 0.00 0.00 72.50 70.69 2kc0 s THR 242 CO 0.01 -0.34 1.93 1.62 -0.69 0.00 0.00 174.62 177.15 2kc0 h VAL 243 N 2.77 0.54 0.00 3.82 3.04 -2.02 0.45 116.25 124.84 2kc0 h VAL 243 Ca -0.35 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.27 2kc0 h VAL 243 Cb 1.21 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 2kc0 h VAL 243 CO 0.56 0.00 -0.33 0.78 -1.01 0.00 0.00 177.57 177.57 2kc0 h ASN 244 N 0.00 0.00 -0.24 3.17 -0.26 -2.02 -3.50 115.58 112.73 2kc0 h ASN 244 Ca 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 2kc0 h ASN 244 Cb 1.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 2kc0 h ASN 244 CO -0.00 0.33 0.00 0.61 -1.06 0.00 0.00 177.43 177.31 2kc0 n GLY 245 N 0.62 0.95 3.74 2.83 0.00 0.15 -5.13 105.19 108.34 2kc0 n GLY 245 Ca 0.01 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.76 4.51 -0.04 -0.61 2.07 -1.26 -0.93 121.20 122.18 2kc0 s ILE 246 Ca 0.00 -0.38 0.06 0.00 -1.41 0.00 0.00 60.65 58.92 2kc0 s ILE 246 Cb 0.00 -3.00 -0.01 0.00 0.13 0.00 0.00 42.46 39.58 2kc0 s ILE 246 CO 0.00 0.44 -0.24 -0.13 -1.91 0.00 0.00 174.94 173.10 2kc0 s ARG 247 N -1.42 2.17 -0.13 3.50 0.52 0.26 -5.00 118.95 118.85 2kc0 s ARG 247 Ca 0.19 -0.85 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2kc0 s ARG 247 Cb -0.12 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 2kc0 s ARG 247 CO 0.09 0.43 -0.05 -1.01 0.02 0.00 0.00 175.30 174.78 2kc0 s HIS 248 N -0.33 3.00 0.01 -0.53 3.76 -1.26 -1.20 115.29 118.74 2kc0 s HIS 248 Ca 0.02 -0.23 0.04 0.00 -0.15 0.00 0.00 55.06 54.74 2kc0 s HIS 248 Cb -0.11 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 2kc0 s HIS 248 CO 0.01 0.06 -0.12 0.42 -0.85 0.00 0.00 174.74 174.26 2kc0 s ILE 249 N 0.06 0.92 0.20 0.60 -1.09 0.26 -4.22 121.20 117.93 2kc0 s ILE 249 Ca -0.00 -0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 57.65 2kc0 s ILE 249 Cb -0.14 -0.80 -0.07 0.00 -1.58 0.00 0.00 42.46 39.87 2kc0 s ILE 249 CO 0.03 0.13 0.52 -0.83 -1.23 0.00 0.00 174.94 173.56 2kc0 s GLY 250 N -0.61 2.30 -0.10 6.18 0.00 -0.01 -0.78 107.32 114.31 2kc0 s GLY 250 Ca 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 44.72 44.41 2kc0 s GLY 250 CO 0.00 -0.14 0.05 1.08 0.00 0.00 0.00 173.10 174.09 2kc0 s LEU 251 N -2.64 3.88 -0.22 0.66 2.01 -0.19 -3.15 118.68 119.03 2kc0 s LEU 251 Ca 0.45 0.27 -0.09 0.00 0.01 0.00 0.00 54.13 54.76 2kc0 s LEU 251 Cb -0.12 -1.91 0.09 0.00 0.01 0.00 0.00 46.19 44.26 2kc0 s LEU 251 CO 0.21 0.39 0.49 0.00 1.01 0.00 0.00 176.35 178.45 2kc0 s ALA 252 N -0.94 -1.40 -0.22 4.21 0.00 -1.22 -3.16 121.76 119.05 2kc0 s ALA 252 Ca 0.14 1.78 -0.19 0.00 0.00 0.00 0.00 51.96 53.69 2kc0 s ALA 252 Cb -0.12 -1.36 0.06 0.00 0.00 0.00 0.00 23.12 21.70 2kc0 s ALA 252 CO 0.03 -0.67 0.57 0.00 0.00 0.00 0.00 175.76 175.69 2kc0 s ALA 253 N 2.36 -1.42 0.02 0.00 0.00 -0.89 -1.26 121.76 120.57 2kc0 s ALA 253 Ca -0.05 1.66 0.01 0.00 0.00 0.00 0.00 51.96 53.58 2kc0 s ALA 253 Cb -0.11 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 2kc0 s ALA 253 CO -0.15 -0.28 -0.04 -1.59 0.00 0.00 0.00 175.76 173.70 2kc0 s LYS 254 N 0.49 0.36 0.00 0.00 0.00 -1.25 -0.67 119.74 118.67 2kc0 s LYS 254 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 55.97 55.34 2kc0 s LYS 254 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 37.83 37.78 2kc0 s LYS 254 CO -0.02 -0.02 0.38 0.94 0.00 0.00 0.00 175.35 176.64