#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 -0.31 0.37 0.00 0.00 -1.26 -3.32 105.19 100.67 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 0.98 -0.21 0.99 3.38 -1.94 -3.08 115.31 115.42 2kc0 h LEU 16 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kc0 h LEU 16 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2kc0 h LEU 16 CO 0.00 0.58 0.13 0.00 0.09 0.00 0.00 178.44 179.24 2kc0 h ALA 17 N 1.50 0.27 0.00 1.53 0.00 -1.70 -3.10 119.26 117.76 2kc0 h ALA 17 Ca 0.46 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 2kc0 h ALA 17 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kc0 h ALA 17 CO -0.21 -0.24 -0.47 0.22 0.00 0.00 0.00 179.25 178.55 2kc0 h ASP 18 N 0.27 0.00 0.53 0.00 3.58 -1.83 -2.03 116.42 116.95 2kc0 h ASP 18 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2kc0 h ASP 18 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2kc0 h ASP 18 CO -0.02 0.47 0.00 0.00 -2.88 0.00 0.00 179.24 176.81 2kc0 h ALA 19 N 1.53 1.00 0.00 -0.78 0.00 -1.46 -1.52 119.26 118.04 2kc0 h ALA 19 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2kc0 h ALA 19 Cb 0.93 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2kc0 h ALA 19 CO 0.06 0.00 -2.16 1.28 0.00 0.00 0.00 179.25 178.43 2kc0 n LEU 20 N -2.41 0.14 0.19 0.00 4.77 -0.79 -4.33 117.00 114.56 2kc0 n LEU 20 Ca 0.01 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2kc0 n LEU 20 Cb 0.18 0.32 0.19 0.00 -2.33 0.00 0.00 43.42 41.78 2kc0 n LEU 20 CO 0.18 0.34 0.75 0.71 -1.33 0.00 0.00 177.39 178.04 2kc0 h THR 21 N 0.00 0.00 -5.91 -5.08 1.35 -1.28 -3.45 112.91 98.54 2kc0 h THR 21 Ca -0.37 -0.92 -0.27 0.00 -0.55 0.00 0.00 66.41 64.31 2kc0 h THR 21 Cb 1.88 1.87 0.06 0.00 -1.73 0.00 0.00 68.15 70.23 2kc0 h THR 21 CO 0.03 0.00 -0.63 0.00 -0.25 0.00 0.00 175.52 174.67 2kc0 n ALA 22 N -2.06 -2.58 0.30 6.62 0.00 -0.59 -4.94 120.51 117.27 2kc0 n ALA 22 Ca 0.04 -0.11 0.16 0.00 0.00 0.00 0.00 53.44 53.53 2kc0 n ALA 22 Cb 0.52 -2.81 0.57 0.00 0.00 0.00 0.00 19.45 17.72 2kc0 n ALA 22 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kc0 h PRO 23 N -0.65 0.00 -6.58 0.00 0.13 -1.96 -3.46 132.00 119.47 2kc0 h PRO 23 Ca -0.42 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.13 2kc0 h PRO 23 Cb 1.24 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.53 2kc0 h PRO 23 CO 0.39 0.00 -0.24 1.28 -0.23 0.00 0.00 178.00 179.20 2kc0 n LEU 24 N -2.93 1.55 0.00 1.56 7.99 -1.26 -5.00 117.00 118.90 2kc0 n LEU 24 Ca 0.02 0.77 0.00 0.00 -0.01 0.00 0.00 56.01 56.79 2kc0 n LEU 24 Cb 0.34 -1.23 0.00 0.00 -0.11 0.00 0.00 43.42 42.41 2kc0 n LEU 24 CO 0.27 -2.68 0.32 0.47 -1.51 0.00 0.00 177.39 174.27 2kc0 n ASP 25 N 0.21 0.00 0.00 -1.43 8.00 -1.26 -5.05 116.55 117.03 2kc0 n ASP 25 Ca 0.12 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.27 2kc0 n ASP 25 Cb 0.47 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2kc0 n ASP 25 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kc0 n HIS 26 N -1.25 0.00 0.00 1.24 -0.00 -1.26 -5.03 115.22 108.92 2kc0 n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kc0 n HIS 26 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2kc0 n HIS 26 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2kc0 n LYS 27 N 0.00 0.00 0.00 1.57 2.85 -1.26 -4.94 118.16 116.38 2kc0 n LYS 27 Ca 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 2kc0 n LYS 27 Cb 0.00 -1.95 0.00 0.00 -0.65 0.00 0.00 35.03 32.43 2kc0 n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kc0 n ASP 28 N -1.01 0.00 -0.03 -5.58 -0.08 -1.26 -4.14 116.55 104.45 2kc0 n ASP 28 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 2kc0 n ASP 28 Cb 0.45 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.84 2kc0 n ASP 28 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2kc0 n LYS 29 N 14.00 1.88 -0.37 -0.67 2.85 -1.26 -5.09 118.16 129.50 2kc0 n LYS 29 Ca 0.00 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2kc0 n LYS 29 Cb 0.00 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kc0 n GLY 30 N 2.32 5.78 3.73 2.58 0.00 -1.26 -5.13 105.19 113.21 2kc0 n GLY 30 Ca -0.10 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 4.40 0.00 0.99 0.20 -1.26 -4.90 118.68 118.10 2kc0 s LEU 31 Ca 0.00 2.29 0.00 0.00 0.69 0.00 0.00 54.13 57.11 2kc0 s LEU 31 Cb 0.00 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.16 2kc0 s LEU 31 CO 0.00 -0.54 0.21 0.00 -0.29 0.00 0.00 176.35 175.73 2kc0 n GLN 32 N 3.29 0.00 -3.62 1.98 -0.00 -1.26 -4.90 117.38 112.87 2kc0 n GLN 32 Ca 0.08 -0.21 -0.14 0.00 -0.00 0.00 0.00 57.00 56.73 2kc0 n GLN 32 Cb 0.43 -0.44 -0.06 0.00 -0.00 0.00 0.00 30.24 30.17 2kc0 n GLN 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2kc0 s SER 33 N 0.00 -0.39 -0.35 2.61 1.04 -1.26 -1.19 113.70 114.16 2kc0 s SER 33 Ca 0.00 0.19 -0.22 0.00 0.48 0.00 0.00 55.95 56.39 2kc0 s SER 33 Cb 0.00 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.58 2kc0 s SER 33 CO 0.00 -0.65 0.75 -0.22 0.98 0.00 0.00 173.24 174.10 2kc0 s LEU 34 N -1.78 4.15 -0.18 2.42 1.98 -0.59 -4.84 118.68 119.83 2kc0 s LEU 34 Ca -0.07 0.35 -0.16 0.00 -2.89 0.00 0.00 54.13 51.36 2kc0 s LEU 34 Cb -0.01 -2.97 -0.04 0.00 0.66 0.00 0.00 46.19 43.83 2kc0 s LEU 34 CO 0.01 -0.68 0.40 -0.89 -1.89 0.00 0.00 176.35 173.30 2kc0 s THR 35 N 2.98 5.21 -0.61 3.68 2.01 -1.26 -1.03 115.64 126.61 2kc0 s THR 35 Ca 0.30 0.73 -0.08 0.00 0.31 0.00 0.00 61.69 62.95 2kc0 s THR 35 Cb -0.14 -3.73 0.16 0.00 0.01 0.00 0.00 72.50 68.80 2kc0 s THR 35 CO 0.16 0.28 0.48 -0.76 -0.69 0.00 0.00 174.62 174.09 2kc0 s LEU 36 N 1.08 5.77 -0.03 4.42 1.02 -1.09 -4.61 118.68 125.23 2kc0 s LEU 36 Ca 0.20 -2.45 0.18 0.00 0.02 0.00 0.00 54.13 52.08 2kc0 s LEU 36 Cb -0.15 -1.99 -0.21 0.00 0.02 0.00 0.00 46.19 43.86 2kc0 s LEU 36 CO 0.08 -0.54 0.54 -0.67 0.02 0.00 0.00 176.35 175.78 2kc0 n ASP 37 N 4.15 0.45 -0.02 2.29 2.03 -1.26 -4.05 116.55 120.13 2kc0 n ASP 37 Ca 0.03 0.20 -0.00 0.00 0.52 0.00 0.00 54.79 55.54 2kc0 n ASP 37 Cb 0.41 0.76 -0.04 0.00 -0.72 0.00 0.00 41.12 41.52 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 -2.73 1.80 -0.11 -0.67 0.00 -1.26 -4.54 117.38 109.87 2kc0 n GLN 38 Ca -0.15 -0.02 0.11 0.00 -0.00 0.00 0.00 57.00 56.93 2kc0 n GLN 38 Cb 0.88 -1.13 0.47 0.00 0.00 0.00 0.00 30.24 30.46 2kc0 n GLN 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2kc0 h SER 39 N 0.00 0.43 -4.30 1.69 0.87 -1.84 -3.45 113.55 106.95 2kc0 h SER 39 Ca -0.08 0.01 -0.22 0.00 -1.23 0.00 0.00 61.79 60.28 2kc0 h SER 39 Cb 0.83 -0.08 -0.25 0.00 -0.44 0.00 0.00 62.40 62.46 2kc0 h SER 39 CO 0.00 0.26 -0.72 0.54 -0.53 0.00 0.00 176.83 176.39 2kc0 s VAL 40 N -5.45 0.12 1.12 2.23 0.11 -1.26 -5.14 120.40 112.12 2kc0 s VAL 40 Ca -0.08 -0.45 -0.15 0.00 -2.93 0.00 0.00 61.98 58.37 2kc0 s VAL 40 Cb 0.20 -0.18 0.25 0.00 -1.53 0.00 0.00 36.38 35.12 2kc0 s VAL 40 CO 0.76 -0.21 1.07 -0.13 -3.33 0.00 0.00 175.10 173.26 2kc0 s ARG 41 N -0.69 -0.53 0.00 1.54 1.81 -1.26 -4.82 118.95 115.00 2kc0 s ARG 41 Ca -0.07 0.40 0.15 0.00 -1.72 0.00 0.00 55.73 54.49 2kc0 s ARG 41 Cb -0.05 -1.64 0.80 0.00 -0.45 0.00 0.00 34.95 33.61 2kc0 s ARG 41 CO -0.00 -3.35 1.42 1.63 -0.68 0.00 0.00 175.30 174.32 2kc0 n LYS 42 N -4.59 0.25 0.00 3.54 5.02 -1.26 -3.61 118.16 117.51 2kc0 n LYS 42 Ca 0.07 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2kc0 n LYS 42 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 2kc0 n LYS 42 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kc0 n ASN 43 N -1.25 0.56 -4.50 4.39 3.02 -1.26 -4.90 115.26 111.32 2kc0 n ASN 43 Ca 0.08 -0.87 -0.31 0.00 -0.03 0.00 0.00 54.58 53.45 2kc0 n ASN 43 Cb 0.11 0.13 -0.12 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.13 2.12 0.06 3.52 2.12 -1.24 -4.75 118.70 120.39 2kc0 s GLU 44 Ca 0.00 -0.97 0.07 0.00 0.36 0.00 0.00 54.97 54.42 2kc0 s GLU 44 Cb 0.00 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 2kc0 s GLU 44 CO 0.00 0.54 -0.13 0.21 -0.54 0.00 0.00 175.26 175.33 2kc0 s LYS 45 N -1.65 2.14 0.02 4.30 2.20 -0.72 -3.88 119.74 122.15 2kc0 s LYS 45 Ca 0.16 -0.97 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 2kc0 s LYS 45 Cb -0.11 -2.27 -0.01 0.00 -1.51 0.00 0.00 37.83 33.93 2kc0 s LYS 45 CO 0.08 0.53 0.05 -0.48 -0.36 0.00 0.00 175.35 175.17 2kc0 s LEU 46 N -1.77 1.92 -0.07 5.43 2.34 -0.72 -1.35 118.68 124.46 2kc0 s LEU 46 Ca 0.18 -0.42 0.05 0.00 0.06 0.00 0.00 54.13 54.00 2kc0 s LEU 46 Cb -0.11 0.40 -0.01 0.00 -0.56 0.00 0.00 46.19 45.92 2kc0 s LEU 46 CO 0.09 -0.37 -0.24 -0.75 -1.06 0.00 0.00 176.35 174.01 2kc0 s LYS 47 N -1.72 2.70 -0.07 1.48 2.20 0.05 -1.47 119.74 122.91 2kc0 s LYS 47 Ca -0.13 -0.88 0.05 0.00 -0.36 0.00 0.00 55.97 54.65 2kc0 s LYS 47 Cb -0.07 -2.18 -0.00 0.00 -1.51 0.00 0.00 37.83 34.06 2kc0 s LYS 47 CO -0.01 0.30 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.89 2kc0 s LEU 48 N 0.03 2.02 -0.09 5.43 1.98 -0.65 -0.88 118.68 126.52 2kc0 s LEU 48 Ca -0.09 -0.49 -0.21 0.00 -2.89 0.00 0.00 54.13 50.45 2kc0 s LEU 48 Cb -0.15 -1.28 0.05 0.00 0.66 0.00 0.00 46.19 45.47 2kc0 s LEU 48 CO 0.06 0.19 0.50 0.00 -1.89 0.00 0.00 176.35 175.21 2kc0 s ALA 49 N 0.09 -1.28 -0.14 5.97 0.00 -0.12 -0.35 121.76 125.93 2kc0 s ALA 49 Ca -0.09 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 2kc0 s ALA 49 Cb -0.15 -0.30 0.12 0.00 0.00 0.00 0.00 23.12 22.78 2kc0 s ALA 49 CO 0.05 -0.29 0.95 0.00 0.00 0.00 0.00 175.76 176.47 2kc0 s ALA 50 N -0.68 -1.91 -1.55 0.00 0.00 -0.57 -1.59 121.76 115.47 2kc0 s ALA 50 Ca -0.08 1.54 -0.08 0.00 0.00 0.00 0.00 51.96 53.35 2kc0 s ALA 50 Cb -0.03 -0.60 0.07 0.00 0.00 0.00 0.00 23.12 22.56 2kc0 s ALA 50 CO 0.05 -0.32 0.56 0.94 0.00 0.00 0.00 175.76 176.98 2kc0 n GLN 51 N 0.76 -3.13 -0.69 0.00 -0.06 -1.26 -1.43 117.38 111.57 2kc0 n GLN 51 Ca -0.12 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.26 2kc0 n GLN 51 Cb 0.58 -4.72 0.00 0.00 -4.06 0.00 0.00 30.24 22.03 2kc0 n GLN 51 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kc0 n GLY 52 N -1.78 0.66 3.42 1.69 0.00 -1.26 -4.47 105.19 103.44 2kc0 n GLY 52 Ca -0.14 0.00 -0.21 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 -2.02 2.28 -0.20 4.61 0.00 -0.51 -5.04 121.76 120.88 2kc0 s ALA 53 Ca 0.00 -1.89 -0.14 0.00 0.00 0.00 0.00 51.96 49.92 2kc0 s ALA 53 Cb 0.00 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.44 2kc0 s ALA 53 CO 0.00 -0.11 0.51 -1.83 0.00 0.00 0.00 175.76 174.33 2kc0 s GLU 54 N -3.76 0.54 -0.10 0.00 -1.05 -1.26 -1.51 118.70 111.56 2kc0 s GLU 54 Ca 0.30 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 55.97 2kc0 s GLU 54 Cb 0.04 0.13 0.02 0.00 -0.44 0.00 0.00 34.13 33.89 2kc0 s GLU 54 CO 0.12 -0.12 -0.08 0.21 0.95 0.00 0.00 175.26 176.34 2kc0 s LYS 55 N 1.02 1.46 -0.13 -4.83 2.47 0.52 -4.92 119.74 115.34 2kc0 s LYS 55 Ca -0.06 -0.25 -0.22 0.00 -1.56 0.00 0.00 55.97 53.88 2kc0 s LYS 55 Cb -0.06 -1.49 -0.03 0.00 -1.46 0.00 0.00 37.83 34.79 2kc0 s LYS 55 CO -0.09 -0.21 0.64 0.99 0.16 0.00 0.00 175.35 176.84 2kc0 s THR 56 N 1.52 5.05 0.29 3.43 2.01 -1.26 -1.63 115.64 125.05 2kc0 s THR 56 Ca 0.01 1.28 -0.07 0.00 0.31 0.00 0.00 61.69 63.22 2kc0 s THR 56 Cb -0.13 -3.97 0.03 0.00 0.01 0.00 0.00 72.50 68.43 2kc0 s THR 56 CO -0.06 0.20 0.50 0.00 -0.69 0.00 0.00 174.62 174.57 2kc0 n TYR 57 N 4.30 -1.67 -2.66 4.92 4.11 -0.54 -5.02 117.16 120.60 2kc0 n TYR 57 Ca -0.02 -1.59 0.00 0.00 -0.00 0.00 0.00 57.90 56.29 2kc0 n TYR 57 Cb 0.51 0.58 0.00 0.00 -0.00 0.00 0.00 39.34 40.42 2kc0 n TYR 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2kc0 n GLY 58 N -0.42 -1.64 3.67 -7.48 0.00 -1.26 -1.76 105.19 96.30 2kc0 n GLY 58 Ca -0.03 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 2kc0 n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kc0 n ASN 59 N 2.11 -3.52 0.00 1.61 5.03 -1.25 -3.53 115.26 115.71 2kc0 n ASN 59 Ca 0.00 -0.60 0.00 0.00 0.87 0.00 0.00 54.58 54.85 2kc0 n ASN 59 Cb 0.00 -2.91 0.00 0.00 -1.02 0.00 0.00 39.78 35.85 2kc0 n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kc0 n GLY 60 N -1.24 1.07 3.72 7.41 0.00 -1.26 -4.94 105.19 109.95 2kc0 n GLY 60 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2kc0 n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kc0 s ASP 61 N -2.00 4.35 -0.03 1.61 2.15 -1.23 -4.90 116.67 116.62 2kc0 s ASP 61 Ca 0.00 -1.12 0.04 0.00 0.43 0.00 0.00 52.55 51.90 2kc0 s ASP 61 Cb 0.00 -0.47 -0.00 0.00 -0.30 0.00 0.00 42.92 42.15 2kc0 s ASP 61 CO 0.00 -0.53 -0.13 -0.94 -0.17 0.00 0.00 175.17 173.40 2kc0 s SER 62 N -3.88 1.60 -0.64 -0.34 1.04 -1.26 -2.67 113.70 107.54 2kc0 s SER 62 Ca 0.40 -0.25 -0.27 0.00 0.48 0.00 0.00 55.95 56.31 2kc0 s SER 62 Cb 0.05 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2kc0 s SER 62 CO 0.22 0.12 1.58 -0.22 0.98 0.00 0.00 173.24 175.92 2kc0 s LEU 63 N -0.00 3.27 -0.05 2.42 2.96 -0.20 -4.76 118.68 122.31 2kc0 s LEU 63 Ca -0.01 0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 53.67 2kc0 s LEU 63 Cb -0.08 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 2kc0 s LEU 63 CO 0.01 -2.07 1.15 0.20 -1.32 0.00 0.00 176.35 174.32 2kc0 s ASN 64 N 5.93 7.11 0.00 3.68 0.01 -1.26 -1.55 114.94 128.85 2kc0 s ASN 64 Ca 0.54 1.78 0.04 0.00 -0.71 0.00 0.00 52.86 54.50 2kc0 s ASN 64 Cb -0.11 -2.56 0.06 0.00 0.41 0.00 0.00 41.25 39.05 2kc0 s ASN 64 CO 0.20 -0.53 0.90 0.35 -1.51 0.00 0.00 177.10 176.50 2kc0 n THR 65 N 4.50 0.00 0.00 1.60 -2.24 -0.54 -4.61 114.28 112.99 2kc0 n THR 65 Ca 0.10 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2kc0 n THR 65 Cb 0.47 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.07 -0.31 2.68 3.38 0.00 -0.33 -3.03 105.19 107.64 2kc0 n GLY 66 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 2kc0 n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kc0 n LYS 67 N -1.31 1.25 -4.44 1.61 4.81 -1.26 -4.91 118.16 113.92 2kc0 n LYS 67 Ca 0.00 -1.53 -0.22 0.00 -0.87 0.00 0.00 58.31 55.69 2kc0 n LYS 67 Cb 0.19 0.16 -0.10 0.00 0.02 0.00 0.00 35.03 35.29 2kc0 n LYS 67 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kc0 s LEU 68 N -3.57 2.56 0.28 3.14 1.02 -1.17 -5.12 118.68 115.82 2kc0 s LEU 68 Ca 0.16 -1.13 -0.30 0.00 0.02 0.00 0.00 54.13 52.88 2kc0 s LEU 68 Cb 0.42 -0.77 -0.12 0.00 0.02 0.00 0.00 46.19 45.73 2kc0 s LEU 68 CO -0.11 -0.22 1.47 0.29 0.02 0.00 0.00 176.35 177.80 2kc0 n LYS 69 N -0.58 2.33 -2.77 1.70 4.76 -1.26 -5.00 118.16 117.34 2kc0 n LYS 69 Ca -0.06 0.83 -0.16 0.00 -2.87 0.00 0.00 58.31 56.05 2kc0 n LYS 69 Cb 0.62 -2.53 0.03 0.00 -1.84 0.00 0.00 35.03 31.31 2kc0 n LYS 69 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2kc0 n ASN 70 N 1.94 1.86 -3.40 4.39 6.94 -1.26 -4.79 115.26 120.95 2kc0 n ASN 70 Ca 0.09 -2.22 -0.24 0.00 -0.02 0.00 0.00 54.58 52.18 2kc0 n ASN 70 Cb 0.34 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 2kc0 n ASN 70 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2kc0 n ASP 71 N -2.23 -4.17 -4.01 0.53 9.92 -0.27 -4.92 116.55 111.41 2kc0 n ASP 71 Ca 0.06 -0.44 -0.08 0.00 -0.53 0.00 0.00 54.79 53.80 2kc0 n ASP 71 Cb 0.44 -3.42 -0.09 0.00 -0.64 0.00 0.00 41.12 37.42 2kc0 n ASP 71 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2kc0 s LYS 72 N -6.06 0.78 -0.33 -1.24 -2.85 -0.53 -4.97 119.74 104.54 2kc0 s LYS 72 Ca 0.43 -1.15 -0.15 0.00 -1.00 0.00 0.00 55.97 54.10 2kc0 s LYS 72 Cb -0.22 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 35.81 2kc0 s LYS 72 CO 0.52 -0.21 0.34 0.14 0.10 0.00 0.00 175.35 176.24 2kc0 s VAL 73 N -3.92 5.19 -0.14 1.79 -7.23 -1.26 -0.87 120.40 113.96 2kc0 s VAL 73 Ca 0.09 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 2kc0 s VAL 73 Cb 0.06 -3.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 2kc0 s VAL 73 CO -0.08 -0.04 -0.15 -0.94 -0.31 0.00 0.00 175.10 173.58 2kc0 s SER 74 N 1.73 3.79 0.35 4.85 1.04 -0.37 -4.94 113.70 120.14 2kc0 s SER 74 Ca 0.11 -0.41 -0.27 0.00 0.48 0.00 0.00 55.95 55.86 2kc0 s SER 74 Cb -0.17 -1.57 -0.09 0.00 0.10 0.00 0.00 66.02 64.29 2kc0 s SER 74 CO 0.11 0.13 1.19 0.00 0.98 0.00 0.00 173.24 175.65 2kc0 s ARG 75 N 0.56 4.28 -0.08 4.02 1.70 -1.26 -1.14 118.95 127.04 2kc0 s ARG 75 Ca -0.09 1.92 -0.03 0.00 -0.47 0.00 0.00 55.73 57.06 2kc0 s ARG 75 Cb -0.16 -2.91 0.04 0.00 -0.57 0.00 0.00 34.95 31.36 2kc0 s ARG 75 CO 0.04 -0.15 0.15 -0.06 -1.08 0.00 0.00 175.30 174.20 2kc0 s PHE 76 N -1.28 -0.17 0.17 5.89 0.08 -0.69 -4.96 117.98 117.02 2kc0 s PHE 76 Ca 0.52 0.56 -0.31 0.00 0.12 0.00 0.00 56.93 57.81 2kc0 s PHE 76 Cb -0.33 -0.21 -0.09 0.00 -0.57 0.00 0.00 43.02 41.82 2kc0 s PHE 76 CO 0.43 -0.23 1.49 0.34 -0.10 0.00 0.00 175.22 177.15 2kc0 s ASP 77 N 1.91 6.67 -0.04 1.36 -1.08 -0.62 -0.84 116.67 124.03 2kc0 s ASP 77 Ca -0.01 2.54 0.02 0.00 -0.52 0.00 0.00 52.55 54.58 2kc0 s ASP 77 Cb -0.12 -2.60 0.01 0.00 -1.46 0.00 0.00 42.92 38.76 2kc0 s ASP 77 CO -0.06 -0.75 -0.07 0.12 0.52 0.00 0.00 175.17 174.93 2kc0 s PHE 78 N 0.92 0.95 -0.01 -5.34 2.19 -0.16 -0.94 117.98 115.59 2kc0 s PHE 78 Ca 0.66 -0.28 0.01 0.00 0.33 0.00 0.00 56.93 57.65 2kc0 s PHE 78 Cb -0.41 -0.75 -0.00 0.00 -1.31 0.00 0.00 43.02 40.55 2kc0 s PHE 78 CO 0.33 -0.18 -0.04 0.42 1.83 0.00 0.00 175.22 177.59 2kc0 s ILE 79 N 0.63 0.30 0.35 3.12 1.01 -0.06 -1.65 121.20 124.90 2kc0 s ILE 79 Ca -0.10 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.47 2kc0 s ILE 79 Cb -0.13 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.06 2kc0 s ILE 79 CO 0.01 0.09 0.44 -0.13 0.00 0.00 0.00 174.94 175.35 2kc0 s ARG 80 N -0.01 2.94 -0.30 2.79 0.52 -0.93 -0.77 118.95 123.20 2kc0 s ARG 80 Ca 0.01 -1.15 -0.09 0.00 -0.52 0.00 0.00 55.73 53.98 2kc0 s ARG 80 Cb -0.02 -2.70 0.14 0.00 0.52 0.00 0.00 34.95 32.88 2kc0 s ARG 80 CO -0.00 -0.00 0.64 -1.14 0.02 0.00 0.00 175.30 174.82 2kc0 s GLN 81 N -4.16 0.58 -0.09 3.54 0.74 -0.46 -4.71 119.66 115.11 2kc0 s GLN 81 Ca 0.46 1.40 -0.08 0.00 0.05 0.00 0.00 55.36 57.19 2kc0 s GLN 81 Cb -0.08 0.84 0.03 0.00 1.10 0.00 0.00 33.01 34.89 2kc0 s GLN 81 CO 0.30 -0.26 0.24 -1.50 -0.55 0.00 0.00 175.29 173.53 2kc0 s ILE 82 N 2.89 -0.00 -0.65 -2.34 2.07 -1.26 -1.76 121.20 120.15 2kc0 s ILE 82 Ca -0.02 0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2kc0 s ILE 82 Cb -0.12 -0.35 0.09 0.00 0.13 0.00 0.00 42.46 42.21 2kc0 s ILE 82 CO -0.19 0.01 2.66 1.21 -1.91 0.00 0.00 174.94 176.71 2kc0 n GLU 83 N 3.08 2.90 -1.74 3.50 2.13 -1.26 -4.47 120.64 124.77 2kc0 n GLU 83 Ca -0.14 -2.65 -0.42 0.00 0.66 0.00 0.00 57.16 54.61 2kc0 n GLU 83 Cb 0.58 -2.25 -0.03 0.00 0.27 0.00 0.00 31.44 30.01 2kc0 n GLU 83 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2kc0 s VAL 84 N -2.17 2.57 -1.25 6.31 -7.23 -1.21 -1.64 120.40 115.77 2kc0 s VAL 84 Ca 0.57 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.85 2kc0 s VAL 84 Cb 0.34 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 34.22 2kc0 s VAL 84 CO -0.20 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.06 2kc0 n ASP 85 N 5.57 -4.04 -0.12 4.85 8.00 -1.26 -1.52 116.55 128.04 2kc0 n ASP 85 Ca 0.17 0.21 -0.02 0.00 0.71 0.00 0.00 54.79 55.87 2kc0 n ASP 85 Cb 0.38 -3.51 -0.01 0.00 -0.02 0.00 0.00 41.12 37.97 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kc0 n GLY 86 N -0.67 0.52 3.64 0.44 0.00 -0.65 -5.04 105.19 103.42 2kc0 n GLY 86 Ca -0.15 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.16 2.56 -0.36 1.61 -1.52 -0.57 -5.06 119.66 115.14 2kc0 s GLN 87 Ca 0.00 -0.76 -0.07 0.00 -1.95 0.00 0.00 55.36 52.58 2kc0 s GLN 87 Cb 0.00 -2.53 0.05 0.00 -0.22 0.00 0.00 33.01 30.32 2kc0 s GLN 87 CO 0.00 0.58 0.15 -0.51 -0.25 0.00 0.00 175.29 175.27 2kc0 s LEU 88 N -1.76 4.61 -0.09 2.90 1.02 -1.26 -3.34 118.68 120.75 2kc0 s LEU 88 Ca 0.20 -1.29 0.01 0.00 0.02 0.00 0.00 54.13 53.08 2kc0 s LEU 88 Cb -0.11 -1.90 0.02 0.00 0.02 0.00 0.00 46.19 44.21 2kc0 s LEU 88 CO 0.12 -0.40 -0.12 -0.63 0.02 0.00 0.00 176.35 175.34 2kc0 s ILE 89 N 1.40 1.22 -0.21 -0.59 1.01 -1.26 -5.12 121.20 117.65 2kc0 s ILE 89 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 2kc0 s ILE 89 Cb -0.21 -1.15 0.07 0.00 0.01 0.00 0.00 42.46 41.19 2kc0 s ILE 89 CO 0.02 0.39 0.08 0.28 0.00 0.00 0.00 174.94 175.70 2kc0 s THR 90 N 1.05 0.22 -0.05 2.92 -1.32 -1.26 -4.45 115.64 112.75 2kc0 s THR 90 Ca -0.07 -0.50 0.02 0.00 -1.21 0.00 0.00 61.69 59.93 2kc0 s THR 90 Cb -0.15 -0.90 0.07 0.00 -1.51 0.00 0.00 72.50 70.01 2kc0 s THR 90 CO -0.01 -0.35 0.71 0.18 -2.21 0.00 0.00 174.62 172.93 2kc0 n LEU 91 N 5.15 -0.63 -4.45 9.08 4.77 -1.26 -5.09 117.00 124.56 2kc0 n LEU 91 Ca -0.07 -1.43 -0.37 0.00 -0.03 0.00 0.00 56.01 54.11 2kc0 n LEU 91 Cb 0.47 0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.57 2kc0 n LEU 91 CO 0.10 1.16 -0.27 -1.61 -1.33 0.00 0.00 177.39 175.44 2kc0 s GLU 92 N 0.02 3.67 0.05 3.23 2.02 -1.26 -2.34 118.70 124.09 2kc0 s GLU 92 Ca 0.01 -0.47 -0.14 0.00 0.02 0.00 0.00 54.97 54.40 2kc0 s GLU 92 Cb 0.07 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.97 2kc0 s GLU 92 CO -0.02 -0.19 0.30 -1.54 0.02 0.00 0.00 175.26 173.83 2kc0 s SER 93 N 1.62 -0.12 0.00 -0.19 1.04 -1.25 -2.18 113.70 112.63 2kc0 s SER 93 Ca 0.06 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2kc0 s SER 93 Cb -0.15 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2kc0 s SER 93 CO 0.04 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2kc0 n GLY 94 N 0.48 1.08 3.59 7.32 0.00 -0.66 -4.28 105.19 112.72 2kc0 n GLY 94 Ca -0.18 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 2kc0 n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kc0 s GLU 95 N -0.76 3.90 -0.53 1.61 2.56 0.43 -0.99 118.70 124.92 2kc0 s GLU 95 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 54.97 54.56 2kc0 s GLU 95 Cb 0.00 -3.68 0.07 0.00 2.00 0.00 0.00 34.13 32.51 2kc0 s GLU 95 CO 0.00 -0.27 0.68 0.12 -0.56 0.00 0.00 175.26 175.23 2kc0 s PHE 96 N 1.90 3.00 -0.39 5.30 5.36 -0.02 -1.00 117.98 132.14 2kc0 s PHE 96 Ca 0.10 -0.58 -0.16 0.00 -0.96 0.00 0.00 56.93 55.34 2kc0 s PHE 96 Cb -0.16 -3.70 0.01 0.00 -0.34 0.00 0.00 43.02 38.83 2kc0 s PHE 96 CO 0.11 -1.13 0.38 -1.14 -1.46 0.00 0.00 175.22 171.98 2kc0 s GLN 97 N 2.80 3.25 -0.24 10.12 -0.44 -0.64 -1.71 119.66 132.80 2kc0 s GLN 97 Ca 0.16 -0.68 -0.05 0.00 -2.50 0.00 0.00 55.36 52.28 2kc0 s GLN 97 Cb -0.20 -3.91 -0.01 0.00 -1.64 0.00 0.00 33.01 27.26 2kc0 s GLN 97 CO 0.11 -0.71 -0.00 0.08 0.50 0.00 0.00 175.29 175.27 2kc0 s VAL 98 N 2.00 3.64 -0.20 1.34 1.01 -0.29 -2.04 120.40 125.87 2kc0 s VAL 98 Ca 0.10 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 2kc0 s VAL 98 Cb -0.17 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2kc0 s VAL 98 CO 0.12 0.35 0.57 -0.47 0.00 0.00 0.00 175.10 175.67 2kc0 s TYR 99 N 1.51 3.38 -0.17 5.22 6.14 -0.42 -1.24 117.35 131.77 2kc0 s TYR 99 Ca 0.05 0.84 -0.08 0.00 0.64 0.00 0.00 57.07 58.52 2kc0 s TYR 99 Cb -0.15 -2.72 -0.04 0.00 0.42 0.00 0.00 41.96 39.46 2kc0 s TYR 99 CO -0.01 -0.13 0.11 0.15 0.64 0.00 0.00 175.55 176.31 2kc0 s LYS 100 N 1.73 3.90 0.00 4.97 3.01 -0.05 -2.83 119.74 130.48 2kc0 s LYS 100 Ca 0.26 -0.24 0.00 0.00 -1.01 0.00 0.00 55.97 54.98 2kc0 s LYS 100 Cb -0.16 -3.29 0.00 0.00 -1.01 0.00 0.00 37.83 33.38 2kc0 s LYS 100 CO 0.10 0.43 0.00 1.04 0.51 0.00 0.00 175.35 177.43 2kc0 n GLN 101 N 3.09 0.00 0.00 1.68 6.02 -1.25 -1.12 117.38 125.81 2kc0 n GLN 101 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2kc0 n GLN 101 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 2kc0 n GLN 101 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kc0 n SER 102 N 0.00 3.75 0.00 1.08 7.64 -1.26 -4.13 113.62 120.70 2kc0 n SER 102 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kc0 n SER 102 Cb 0.00 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2kc0 n SER 102 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kc0 n HIS 103 N -2.32 0.00 -4.18 1.43 8.25 -1.26 -4.85 115.22 112.29 2kc0 n HIS 103 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2kc0 n HIS 103 Cb 0.45 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.13 0.70 -0.10 0.41 1.04 -1.26 -1.80 113.70 112.55 2kc0 s SER 104 Ca 0.00 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.19 2kc0 s SER 104 Cb 0.00 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.03 2kc0 s SER 104 CO 0.00 0.05 0.36 0.00 0.98 0.00 0.00 173.24 174.64 2kc0 s ALA 105 N 0.01 -0.91 0.03 5.32 0.00 0.14 -3.81 121.76 122.54 2kc0 s ALA 105 Ca 0.00 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 52.83 2kc0 s ALA 105 Cb -0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 2kc0 s ALA 105 CO -0.00 -0.20 -0.03 -0.48 0.00 0.00 0.00 175.76 175.04 2kc0 s LEU 106 N -0.24 2.28 0.10 0.00 2.34 -1.13 -1.40 118.68 120.63 2kc0 s LEU 106 Ca -0.04 -0.58 0.09 0.00 0.06 0.00 0.00 54.13 53.66 2kc0 s LEU 106 Cb -0.03 0.10 -0.04 0.00 -0.56 0.00 0.00 46.19 45.66 2kc0 s LEU 106 CO 0.02 -0.34 -0.20 -0.89 -1.06 0.00 0.00 176.35 173.88 2kc0 s THR 107 N -1.85 2.73 0.06 5.48 2.01 -0.63 -1.30 115.64 122.14 2kc0 s THR 107 Ca -0.12 -1.49 0.05 0.00 0.31 0.00 0.00 61.69 60.44 2kc0 s THR 107 Cb -0.07 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2kc0 s THR 107 CO -0.02 0.15 -0.13 0.00 -0.69 0.00 0.00 174.62 173.92 2kc0 s ALA 108 N -1.08 1.06 -0.11 7.40 0.00 -0.87 -1.61 121.76 126.54 2kc0 s ALA 108 Ca 0.17 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 2kc0 s ALA 108 Cb -0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2kc0 s ALA 108 CO 0.08 0.14 0.10 -0.06 0.00 0.00 0.00 175.76 176.03 2kc0 s PHE 109 N -1.24 3.48 -0.37 0.00 0.40 -0.05 -1.62 117.98 118.58 2kc0 s PHE 109 Ca -0.03 0.43 0.02 0.00 -0.60 0.00 0.00 56.93 56.75 2kc0 s PHE 109 Cb -0.10 -1.89 0.15 0.00 0.51 0.00 0.00 43.02 41.69 2kc0 s PHE 109 CO 0.02 0.66 0.30 -1.14 0.70 0.00 0.00 175.22 175.76 2kc0 s GLN 110 N -1.02 0.63 -0.21 0.44 -0.44 -0.17 -2.31 119.66 116.57 2kc0 s GLN 110 Ca 0.15 -1.25 -0.12 0.00 -2.50 0.00 0.00 55.36 51.64 2kc0 s GLN 110 Cb -0.12 -1.07 -0.05 0.00 -1.64 0.00 0.00 33.01 30.14 2kc0 s GLN 110 CO 0.04 -1.23 0.24 -0.08 0.50 0.00 0.00 175.29 174.76 2kc0 s THR 111 N 1.07 5.31 -0.04 -0.34 -1.32 -0.99 -0.43 115.64 118.91 2kc0 s THR 111 Ca 0.20 0.38 -0.01 0.00 -1.21 0.00 0.00 61.69 61.06 2kc0 s THR 111 Cb -0.17 -3.58 -0.26 0.00 -1.51 0.00 0.00 72.50 66.98 2kc0 s THR 111 CO -0.03 0.34 0.70 1.05 -2.21 0.00 0.00 174.62 174.47 2kc0 h GLU 112 N 7.24 0.20 -2.66 7.08 4.11 -1.84 -0.85 114.58 127.86 2kc0 h GLU 112 Ca -0.38 -0.34 -0.11 0.00 0.07 0.00 0.00 59.36 58.60 2kc0 h GLU 112 Cb 1.16 0.13 -0.23 0.00 0.50 0.00 0.00 28.75 30.31 2kc0 h GLU 112 CO 0.70 1.01 -0.17 1.14 0.07 0.00 0.00 179.01 181.75 2kc0 s GLN 113 N -2.60 0.59 0.05 1.06 -2.07 -1.26 -3.72 119.66 111.71 2kc0 s GLN 113 Ca -0.11 0.46 -0.10 0.00 -1.82 0.00 0.00 55.36 53.78 2kc0 s GLN 113 Cb 0.07 0.28 0.01 0.00 -1.09 0.00 0.00 33.01 32.28 2kc0 s GLN 113 CO 0.83 -0.10 0.21 -1.50 -1.32 0.00 0.00 175.29 173.40 2kc0 s ILE 114 N -0.14 0.11 -0.02 3.63 2.07 -0.37 -3.85 121.20 122.63 2kc0 s ILE 114 Ca -0.03 -0.90 -0.30 0.00 -1.41 0.00 0.00 60.65 58.00 2kc0 s ILE 114 Cb -0.03 -0.98 -0.05 0.00 0.13 0.00 0.00 42.46 41.52 2kc0 s ILE 114 CO 0.02 -0.50 1.47 -1.58 -1.91 0.00 0.00 174.94 172.44 2kc0 s GLN 115 N -2.77 4.24 -0.90 3.50 -0.44 -0.99 -0.98 119.66 121.32 2kc0 s GLN 115 Ca -0.03 2.02 -0.12 0.00 -2.50 0.00 0.00 55.36 54.73 2kc0 s GLN 115 Cb -0.00 -3.69 0.23 0.00 -1.64 0.00 0.00 33.01 27.91 2kc0 s GLN 115 CO -0.05 -0.67 0.85 0.34 0.50 0.00 0.00 175.29 176.26 2kc0 s ASP 116 N 2.29 6.85 0.00 6.67 -1.08 0.95 -4.92 116.67 127.43 2kc0 s ASP 116 Ca 0.66 -2.98 0.27 0.00 -0.52 0.00 0.00 52.55 49.98 2kc0 s ASP 116 Cb -0.32 -2.19 1.54 0.00 -1.46 0.00 0.00 42.92 40.50 2kc0 s ASP 116 CO 0.26 -0.48 1.95 -1.20 0.52 0.00 0.00 175.17 176.23 2kc0 n SER 117 N 3.55 0.00 -0.00 -0.34 7.64 -1.26 -1.90 113.62 121.31 2kc0 n SER 117 Ca 0.17 -0.64 -0.00 0.00 1.01 0.00 0.00 58.87 59.41 2kc0 n SER 117 Cb 0.44 -0.08 -0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2kc0 n SER 117 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2kc0 n GLU 118 N -1.08 2.97 -0.00 1.43 0.28 -1.26 -4.60 120.64 118.37 2kc0 n GLU 118 Ca 0.18 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 57.00 2kc0 n GLU 118 Cb 0.13 -1.00 -0.09 0.00 1.43 0.00 0.00 31.44 31.90 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 0.88 0.00 -1.84 3.86 -1.99 -3.47 115.15 112.59 2kc0 h HIS 119 Ca -0.00 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2kc0 h HIS 119 Cb 1.00 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2kc0 h HIS 119 CO 0.00 1.25 0.00 0.45 0.86 0.00 0.00 177.93 180.49 2kc0 n SER 120 N -4.05 0.00 -1.33 2.45 2.88 -1.16 -5.02 113.62 107.39 2kc0 n SER 120 Ca -0.09 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.38 2kc0 n SER 120 Cb 0.73 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.52 3.13 0.46 0.00 -0.80 -5.04 105.19 103.45 2kc0 n GLY 121 Ca 0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.75 0.70 -3.66 1.61 4.76 -1.24 -4.99 118.16 113.60 2kc0 n LYS 122 Ca -0.00 -3.21 -0.33 0.00 -2.87 0.00 0.00 58.31 51.90 2kc0 n LYS 122 Cb 0.52 1.44 -0.05 0.00 -1.84 0.00 0.00 35.03 35.10 2kc0 n LYS 122 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2kc0 s MET 123 N -3.49 3.65 0.03 1.97 -2.45 -1.26 -0.03 119.30 117.72 2kc0 s MET 123 Ca 0.13 -0.01 -0.04 0.00 -1.25 0.00 0.00 55.69 54.51 2kc0 s MET 123 Cb 0.01 -2.93 -0.01 0.00 1.25 0.00 0.00 34.83 33.14 2kc0 s MET 123 CO 0.09 0.52 0.07 0.08 1.05 0.00 0.00 175.02 176.83 2kc0 s VAL 124 N -1.53 0.13 -1.20 10.11 1.01 -0.15 -4.83 120.40 123.95 2kc0 s VAL 124 Ca 0.37 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2kc0 s VAL 124 Cb -0.13 -0.84 0.21 0.00 0.00 0.00 0.00 36.38 35.62 2kc0 s VAL 124 CO 0.21 -0.61 2.11 0.00 0.00 0.00 0.00 175.10 176.82 2kc0 n ALA 125 N 0.85 6.41 -1.58 5.51 0.00 -1.26 -1.23 120.51 129.21 2kc0 n ALA 125 Ca -0.19 -4.32 -0.42 0.00 0.00 0.00 0.00 53.44 48.50 2kc0 n ALA 125 Cb 0.58 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 2kc0 n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kc0 n LYS 126 N 1.11 2.20 -1.88 0.00 4.01 -1.25 -4.89 118.16 117.45 2kc0 n LYS 126 Ca 0.54 -2.32 -0.23 0.00 -0.51 0.00 0.00 58.31 55.79 2kc0 n LYS 126 Cb 0.26 -3.18 -0.08 0.00 -0.51 0.00 0.00 35.03 31.52 2kc0 n LYS 126 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2kc0 n ARG 127 N 6.85 1.07 -3.79 1.97 1.85 -1.24 -4.68 116.66 118.69 2kc0 n ARG 127 Ca 0.50 -2.20 -0.37 0.00 -1.00 0.00 0.00 57.85 54.79 2kc0 n ARG 127 Cb 0.41 -3.80 -0.13 0.00 -1.05 0.00 0.00 32.46 27.89 2kc0 n ARG 127 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2kc0 s GLN 128 N 7.19 3.14 -0.29 2.89 -0.44 -0.32 -4.97 119.66 126.86 2kc0 s GLN 128 Ca 0.73 -0.82 -0.03 0.00 -2.50 0.00 0.00 55.36 52.74 2kc0 s GLN 128 Cb -0.02 -3.31 0.04 0.00 -1.64 0.00 0.00 33.01 28.08 2kc0 s GLN 128 CO 0.16 -0.40 0.01 0.12 0.50 0.00 0.00 175.29 175.68 2kc0 s PHE 129 N 1.49 3.19 0.16 1.67 5.36 -1.26 -2.36 117.98 126.24 2kc0 s PHE 129 Ca 0.03 -1.59 -0.06 0.00 -0.96 0.00 0.00 56.93 54.35 2kc0 s PHE 129 Cb -0.17 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2kc0 s PHE 129 CO 0.02 -0.74 0.22 -0.98 -1.46 0.00 0.00 175.22 172.27 2kc0 s ARG 130 N 1.33 1.12 -0.21 10.12 1.70 -0.98 -4.74 118.95 127.30 2kc0 s ARG 130 Ca -0.02 -1.30 -0.09 0.00 -0.47 0.00 0.00 55.73 53.85 2kc0 s ARG 130 Cb -0.18 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 2kc0 s ARG 130 CO -0.01 -0.39 0.10 -1.50 -1.08 0.00 0.00 175.30 172.42 2kc0 s ILE 131 N -4.01 4.98 -0.39 4.99 2.07 -1.26 -0.87 121.20 126.71 2kc0 s ILE 131 Ca 0.22 0.04 0.06 0.00 -1.41 0.00 0.00 60.65 59.56 2kc0 s ILE 131 Cb 0.05 -3.28 0.30 0.00 0.13 0.00 0.00 42.46 39.65 2kc0 s ILE 131 CO 0.02 0.41 1.24 0.61 -1.91 0.00 0.00 174.94 175.31 2kc0 n GLY 132 N 3.91 0.08 3.64 1.50 0.00 -0.64 -4.99 105.19 108.69 2kc0 n GLY 132 Ca -0.16 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.83 -0.41 -0.10 1.61 1.01 -1.19 -3.62 116.67 113.15 2kc0 s ASP 133 Ca 0.19 0.65 0.01 0.00 0.71 0.00 0.00 52.55 54.10 2kc0 s ASP 133 Cb 0.28 1.18 0.02 0.00 1.01 0.00 0.00 42.92 45.41 2kc0 s ASP 133 CO -0.09 -0.10 -0.10 -0.63 0.21 0.00 0.00 175.17 174.46 2kc0 s ILE 134 N 1.31 1.13 -0.03 0.77 -1.09 -1.26 -1.61 121.20 120.42 2kc0 s ILE 134 Ca -0.09 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 57.98 2kc0 s ILE 134 Cb -0.03 -1.09 -0.01 0.00 -1.58 0.00 0.00 42.46 39.75 2kc0 s ILE 134 CO -0.14 0.37 -0.18 0.00 -1.23 0.00 0.00 174.94 173.76 2kc0 s ALA 135 N 1.25 1.59 0.00 9.38 0.00 -0.50 -4.86 121.76 128.63 2kc0 s ALA 135 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2kc0 s ALA 135 Cb -0.14 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2kc0 s ALA 135 CO -0.03 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.47 2kc0 n GLY 136 N 2.89 1.74 3.56 0.00 0.00 -1.26 -0.69 105.19 111.44 2kc0 n GLY 136 Ca -0.17 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 2.95 0.29 1.61 2.02 -0.75 -4.98 118.70 117.84 2kc0 s GLU 137 Ca 0.00 0.53 -0.29 0.00 0.02 0.00 0.00 54.97 55.23 2kc0 s GLU 137 Cb 0.00 -4.27 -0.09 0.00 0.10 0.00 0.00 34.13 29.86 2kc0 s GLU 137 CO 0.00 -2.37 1.10 -1.01 0.02 0.00 0.00 175.26 173.00 2kc0 s HIS 138 N 7.63 3.54 0.03 1.61 3.76 -1.26 -0.63 115.29 129.96 2kc0 s HIS 138 Ca 0.60 1.69 0.08 0.00 -0.15 0.00 0.00 55.06 57.28 2kc0 s HIS 138 Cb -0.12 -3.27 -0.02 0.00 1.11 0.00 0.00 32.58 30.27 2kc0 s HIS 138 CO 0.22 -0.57 -0.23 0.95 -0.85 0.00 0.00 174.74 174.25 2kc0 s THR 139 N -1.22 1.88 0.25 1.30 -4.23 -1.22 -4.88 115.64 107.53 2kc0 s THR 139 Ca 0.46 -1.22 -0.30 0.00 -1.18 0.00 0.00 61.69 59.45 2kc0 s THR 139 Cb -0.31 -1.60 -0.10 0.00 1.34 0.00 0.00 72.50 71.83 2kc0 s THR 139 CO 0.40 0.34 1.43 -0.44 -0.54 0.00 0.00 174.62 175.80 2kc0 s SER 140 N -1.05 6.66 0.19 3.99 0.01 -1.25 -4.45 113.70 117.81 2kc0 s SER 140 Ca 0.09 2.67 -0.05 0.00 1.31 0.00 0.00 55.95 59.97 2kc0 s SER 140 Cb -0.09 -2.63 0.12 0.00 0.21 0.00 0.00 66.02 63.64 2kc0 s SER 140 CO 0.01 -0.69 1.55 2.19 0.41 0.00 0.00 173.24 176.71 2kc0 h PHE 141 N 4.90 0.82 0.00 2.43 -5.15 -1.94 -3.33 116.94 114.68 2kc0 h PHE 141 Ca -0.46 -0.25 0.00 0.00 -0.20 0.00 0.00 57.97 57.06 2kc0 h PHE 141 Cb 1.22 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 37.21 2kc0 h PHE 141 CO 0.60 0.98 0.00 -0.25 -2.00 0.00 0.00 178.31 177.64 2kc0 n ASP 142 N -4.03 0.78 0.00 -0.68 8.00 -1.26 -1.38 116.55 117.98 2kc0 n ASP 142 Ca -0.02 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.14 2kc0 n ASP 142 Cb 0.53 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2kc0 n ASP 142 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kc0 n LYS 143 N 0.21 5.55 -2.36 -1.24 4.76 -1.25 -5.09 118.16 118.73 2kc0 n LYS 143 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 2kc0 n LYS 143 Cb 0.18 -0.54 0.02 0.00 -1.84 0.00 0.00 35.03 32.85 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 -2.00 3.34 0.23 -0.35 1.02 -0.48 -5.04 118.68 115.41 2kc0 s LEU 144 Ca 0.00 0.92 0.14 0.00 0.02 0.00 0.00 54.13 55.21 2kc0 s LEU 144 Cb 0.00 -3.82 0.01 0.00 0.02 0.00 0.00 46.19 42.40 2kc0 s LEU 144 CO 0.00 -0.90 1.35 1.55 0.02 0.00 0.00 176.35 178.37 2kc0 h PRO 145 N -0.10 0.00 -4.00 1.29 0.13 -1.97 -3.48 132.00 123.87 2kc0 h PRO 145 Ca -0.46 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.45 2kc0 h PRO 145 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2kc0 h PRO 145 CO 0.61 0.53 -0.29 0.39 -0.23 0.00 0.00 178.00 179.01 2kc0 n GLU 146 N -3.20 -2.35 -0.08 0.86 1.02 -1.26 -4.85 120.64 110.78 2kc0 n GLU 146 Ca 0.00 0.54 -0.08 0.00 -0.02 0.00 0.00 57.16 57.60 2kc0 n GLU 146 Cb 0.77 -5.13 -0.13 0.00 -0.02 0.00 0.00 31.44 26.94 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 -0.79 -0.79 0.00 0.62 0.00 -1.26 -3.82 105.19 99.15 2kc0 n GLY 147 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 2.01 4.27 3.05 -0.02 0.00 -1.26 -4.68 105.19 108.56 2kc0 n GLY 148 Ca -0.26 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 4.12 0.42 -0.17 1.61 1.70 -1.26 -0.77 118.95 124.60 2kc0 s ARG 149 Ca 0.00 -0.54 0.01 0.00 -0.47 0.00 0.00 55.73 54.73 2kc0 s ARG 149 Cb 0.00 0.16 0.03 0.00 -0.57 0.00 0.00 34.95 34.57 2kc0 s ARG 149 CO 0.00 -0.09 -0.16 0.00 -1.08 0.00 0.00 175.30 173.97 2kc0 s ALA 150 N -1.58 2.09 0.39 7.88 0.00 0.01 -4.86 121.76 125.70 2kc0 s ALA 150 Ca -0.14 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 50.54 2kc0 s ALA 150 Cb -0.08 -1.15 -0.10 0.00 0.00 0.00 0.00 23.12 21.79 2kc0 s ALA 150 CO -0.00 -0.45 0.86 0.99 0.00 0.00 0.00 175.76 177.16 2kc0 s THR 151 N 1.38 4.53 0.03 0.00 2.01 -1.26 -1.60 115.64 120.73 2kc0 s THR 151 Ca 0.04 1.23 -0.06 0.00 0.31 0.00 0.00 61.69 63.21 2kc0 s THR 151 Cb -0.14 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 2kc0 s THR 151 CO -0.11 -0.30 0.10 -0.31 -0.69 0.00 0.00 174.62 173.31 2kc0 s TYR 152 N -2.14 0.18 0.01 4.92 2.02 -0.44 -4.84 117.35 117.05 2kc0 s TYR 152 Ca 0.58 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.83 2kc0 s TYR 152 Cb -0.10 -0.13 -0.01 0.00 -0.40 0.00 0.00 41.96 41.33 2kc0 s TYR 152 CO 0.16 -0.35 -0.00 1.03 -1.57 0.00 0.00 175.55 174.82 2kc0 s ARG 153 N -2.42 0.12 0.13 -0.62 1.81 -1.25 -2.07 118.95 114.64 2kc0 s ARG 153 Ca -0.06 -0.20 -0.25 0.00 -1.72 0.00 0.00 55.73 53.50 2kc0 s ARG 153 Cb -0.02 0.04 0.08 0.00 -0.45 0.00 0.00 34.95 34.60 2kc0 s ARG 153 CO -0.04 -0.02 1.08 0.20 -0.68 0.00 0.00 175.30 175.84 2kc0 s GLY 154 N -0.50 -0.08 0.19 -3.53 0.00 -0.86 -1.77 107.32 100.75 2kc0 s GLY 154 Ca -0.06 -0.02 -0.20 0.00 0.00 0.00 0.00 44.72 44.45 2kc0 s GLY 154 CO -0.00 1.68 0.69 -1.59 0.00 0.00 0.00 173.10 173.87 2kc0 s THR 155 N -2.51 4.60 -0.27 0.90 2.01 -0.40 -1.04 115.64 118.93 2kc0 s THR 155 Ca 0.19 1.26 0.02 0.00 0.31 0.00 0.00 61.69 63.47 2kc0 s THR 155 Cb -0.01 -3.88 0.07 0.00 0.01 0.00 0.00 72.50 68.69 2kc0 s THR 155 CO 0.03 0.29 -0.05 0.00 -0.69 0.00 0.00 174.62 174.20 2kc0 s ALA 156 N -1.42 2.39 -0.17 7.40 0.00 0.06 -2.83 121.76 127.19 2kc0 s ALA 156 Ca 0.40 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2kc0 s ALA 156 Cb -0.18 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.35 2kc0 s ALA 156 CO 0.21 -1.31 -0.19 -0.59 0.00 0.00 0.00 175.76 173.88 2kc0 s PHE 157 N 1.18 2.77 0.26 0.00 -0.71 -1.08 -3.80 117.98 116.59 2kc0 s PHE 157 Ca -0.03 -1.50 -0.21 0.00 -1.04 0.00 0.00 56.93 54.14 2kc0 s PHE 157 Cb -0.19 -1.91 0.03 0.00 -1.21 0.00 0.00 43.02 39.73 2kc0 s PHE 157 CO -0.07 -0.73 0.69 0.20 -1.34 0.00 0.00 175.22 173.97 2kc0 s GLY 158 N 1.18 -0.15 0.00 1.99 0.00 -1.26 -0.76 107.32 108.32 2kc0 s GLY 158 Ca 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 44.72 44.53 2kc0 s GLY 158 CO -0.09 -0.08 0.16 -1.14 0.00 0.00 0.00 173.10 171.95 2kc0 n SER 159 N -0.44 0.29 0.05 1.64 3.41 -1.24 -2.53 113.62 114.80 2kc0 n SER 159 Ca -0.06 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 2kc0 n SER 159 Cb 0.60 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2kc0 n SER 159 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kc0 n ASP 160 N 2.06 -0.54 -0.06 4.04 -0.08 -1.26 -5.00 116.55 115.70 2kc0 n ASP 160 Ca 0.00 0.18 -0.11 0.00 -1.51 0.00 0.00 54.79 53.35 2kc0 n ASP 160 Cb 0.03 0.70 -0.05 0.00 2.34 0.00 0.00 41.12 44.14 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 -2.75 2.14 0.00 1.67 2.03 -1.18 -5.02 116.55 113.43 2kc0 n ASP 161 Ca 0.00 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2kc0 n ASP 161 Cb 0.00 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 -3.17 0.00 -0.00 -1.67 0.00 -1.05 -4.69 120.51 109.93 2kc0 n ALA 162 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2kc0 n ALA 162 Cb 0.71 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.93 2kc0 n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kc0 n GLY 163 N 0.19 -0.01 3.62 0.00 0.00 -1.26 -4.82 105.19 102.91 2kc0 n GLY 163 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kc0 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kc0 s GLY 164 N -2.43 1.58 0.20 -0.02 0.00 -1.25 -4.87 107.32 100.53 2kc0 s GLY 164 Ca -0.00 -0.09 0.04 0.00 0.00 0.00 0.00 44.72 44.67 2kc0 s GLY 164 CO 0.01 0.51 -0.06 0.54 0.00 0.00 0.00 173.10 174.10 2kc0 s LYS 165 N -4.73 1.24 0.08 2.90 -0.14 -1.23 -0.76 119.74 117.11 2kc0 s LYS 165 Ca 0.66 -1.59 0.04 0.00 -1.36 0.00 0.00 55.97 53.72 2kc0 s LYS 165 Cb -0.21 -0.70 -0.03 0.00 -1.68 0.00 0.00 37.83 35.21 2kc0 s LYS 165 CO 0.60 0.00 -0.11 -0.48 -0.76 0.00 0.00 175.35 174.60 2kc0 s LEU 166 N -3.26 2.35 -0.26 3.17 -0.00 -0.21 -1.25 118.68 119.22 2kc0 s LEU 166 Ca 0.23 -0.72 -0.07 0.00 -0.00 0.00 0.00 54.13 53.57 2kc0 s LEU 166 Cb 0.04 -0.36 -0.01 0.00 -0.00 0.00 0.00 46.19 45.86 2kc0 s LEU 166 CO 0.06 -0.20 0.05 -0.89 -0.00 0.00 0.00 176.35 175.37 2kc0 s THR 167 N -1.97 4.04 0.13 5.48 2.01 0.05 -2.04 115.64 123.34 2kc0 s THR 167 Ca 0.02 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 2kc0 s THR 167 Cb -0.06 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 2kc0 s THR 167 CO 0.01 0.28 0.34 -0.47 -0.69 0.00 0.00 174.62 174.09 2kc0 s TYR 168 N 1.56 3.49 -0.24 4.92 5.04 -0.88 -1.09 117.35 130.14 2kc0 s TYR 168 Ca 0.05 0.45 -0.03 0.00 -2.44 0.00 0.00 57.07 55.11 2kc0 s TYR 168 Cb -0.15 -1.93 0.13 0.00 0.35 0.00 0.00 41.96 40.36 2kc0 s TYR 168 CO 0.02 0.46 0.36 0.99 -1.34 0.00 0.00 175.55 176.04 2kc0 s THR 169 N -1.65 -0.56 -0.28 4.34 2.01 0.16 -1.33 115.64 118.32 2kc0 s THR 169 Ca 0.39 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2kc0 s THR 169 Cb -0.12 -0.81 0.08 0.00 0.01 0.00 0.00 72.50 71.66 2kc0 s THR 169 CO 0.26 -0.15 0.04 -0.51 -0.69 0.00 0.00 174.62 173.57 2kc0 s ILE 170 N 2.51 1.26 -0.77 1.82 2.07 -0.63 -0.62 121.20 126.84 2kc0 s ILE 170 Ca 0.12 -1.42 -0.25 0.00 -1.41 0.00 0.00 60.65 57.69 2kc0 s ILE 170 Cb -0.15 -1.81 -0.06 0.00 0.13 0.00 0.00 42.46 40.57 2kc0 s ILE 170 CO -0.16 -0.45 2.07 -1.81 -1.91 0.00 0.00 174.94 172.68 2kc0 s ASP 171 N 1.46 4.84 0.46 4.50 1.11 -1.15 -0.81 116.67 127.07 2kc0 s ASP 171 Ca 0.04 -0.12 0.19 0.00 0.18 0.00 0.00 52.55 52.84 2kc0 s ASP 171 Cb -0.18 -2.54 1.17 0.00 1.07 0.00 0.00 42.92 42.43 2kc0 s ASP 171 CO -0.15 -2.92 1.92 -0.26 1.18 0.00 0.00 175.17 174.95 2kc0 h PHE 172 N 13.24 0.35 0.00 4.23 -1.00 -1.58 0.13 116.94 132.31 2kc0 h PHE 172 Ca -0.04 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.75 2kc0 h PHE 172 Cb 1.07 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.52 2kc0 h PHE 172 CO 1.14 0.12 0.00 0.00 -1.61 0.00 0.00 178.31 177.97 2kc0 n ALA 173 N -2.56 1.91 0.37 2.45 0.00 0.05 -2.98 120.51 119.75 2kc0 n ALA 173 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.63 2kc0 n ALA 173 Cb 0.60 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 2kc0 n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kc0 n ALA 174 N -1.69 2.92 -2.29 0.00 0.00 -0.05 -4.98 120.51 114.42 2kc0 n ALA 174 Ca 0.04 -0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.03 2kc0 n ALA 174 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.83 -1.94 -4.37 0.00 4.81 0.24 -4.99 118.16 111.09 2kc0 n LYS 175 Ca 0.02 0.77 -0.33 0.00 -0.87 0.00 0.00 58.31 57.90 2kc0 n LYS 175 Cb 0.15 -5.35 -0.15 0.00 0.02 0.00 0.00 35.03 29.69 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2kc0 s GLN 176 N -4.80 3.17 -0.43 1.64 -1.52 -1.19 -4.05 119.66 112.48 2kc0 s GLN 176 Ca 0.00 -0.76 -0.11 0.00 -1.95 0.00 0.00 55.36 52.54 2kc0 s GLN 176 Cb 0.00 -2.65 0.08 0.00 -0.22 0.00 0.00 33.01 30.22 2kc0 s GLN 176 CO 0.00 -0.06 0.29 0.20 -0.25 0.00 0.00 175.29 175.47 2kc0 s GLY 177 N 1.01 1.99 0.53 3.09 0.00 0.33 -2.92 107.32 111.35 2kc0 s GLY 177 Ca -0.02 -2.14 0.03 0.00 0.00 0.00 0.00 44.72 42.59 2kc0 s GLY 177 CO -0.03 0.99 0.18 0.21 0.00 0.00 0.00 173.10 174.44 2kc0 s ASN 178 N 2.24 4.35 0.00 1.64 3.84 0.20 -1.29 114.94 125.92 2kc0 s ASN 178 Ca 0.03 -1.50 0.00 0.00 0.21 0.00 0.00 52.86 51.60 2kc0 s ASN 178 Cb -0.23 0.53 0.00 0.00 -0.55 0.00 0.00 41.25 41.00 2kc0 s ASN 178 CO 0.03 -0.99 0.00 0.61 -2.79 0.00 0.00 177.10 173.97 2kc0 n GLY 179 N -1.50 1.61 3.62 1.21 0.00 -1.26 -0.67 105.19 108.21 2kc0 n GLY 179 Ca -0.12 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.01 0.23 0.38 1.61 -2.85 -0.25 -3.92 119.74 114.92 2kc0 s LYS 180 Ca 0.00 0.01 -0.14 0.00 -1.00 0.00 0.00 55.97 54.84 2kc0 s LYS 180 Cb 0.00 0.11 -0.08 0.00 -2.06 0.00 0.00 37.83 35.79 2kc0 s LYS 180 CO 0.00 -0.08 0.79 0.42 0.10 0.00 0.00 175.35 176.58 2kc0 s ILE 181 N -1.42 4.67 -0.29 3.79 -1.09 -0.79 -0.77 121.20 125.29 2kc0 s ILE 181 Ca 0.07 0.93 -0.13 0.00 -2.23 0.00 0.00 60.65 59.29 2kc0 s ILE 181 Cb -0.01 -3.66 0.12 0.00 -1.58 0.00 0.00 42.46 37.34 2kc0 s ILE 181 CO -0.05 -0.36 0.74 -0.70 -1.23 0.00 0.00 174.94 173.35 2kc0 s GLU 182 N -3.39 0.55 0.00 2.79 2.12 -0.38 -4.27 118.70 116.11 2kc0 s GLU 182 Ca 0.55 1.21 0.00 0.00 0.36 0.00 0.00 54.97 57.09 2kc0 s GLU 182 Cb -0.10 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.83 2kc0 s GLU 182 CO 0.23 -0.16 0.00 0.72 -0.54 0.00 0.00 175.26 175.51 2kc0 n HIS 183 N 4.92 0.00 -1.45 5.30 8.25 -1.26 -3.47 115.22 127.50 2kc0 n HIS 183 Ca -0.14 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.99 2kc0 n HIS 183 Cb 0.53 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.72 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 0.00 3.26 0.66 2.41 2.01 -1.26 -4.92 118.68 120.84 2kc0 s LEU 184 Ca 0.00 2.13 0.37 0.00 0.01 0.00 0.00 54.13 56.64 2kc0 s LEU 184 Cb 0.00 -4.56 2.00 0.00 0.01 0.00 0.00 46.19 43.64 2kc0 s LEU 184 CO 0.00 -2.08 2.16 0.07 1.01 0.00 0.00 176.35 177.50 2kc0 h LYS 185 N -0.45 0.00 -4.48 1.70 -0.00 -2.02 -3.41 116.57 107.92 2kc0 h LYS 185 Ca -0.46 0.00 -0.25 0.00 -0.00 0.00 0.00 60.65 59.93 2kc0 h LYS 185 Cb 1.27 0.00 -0.21 0.00 -0.00 0.00 0.00 32.23 33.29 2kc0 h LYS 185 CO 0.51 0.00 -0.73 -1.12 -0.00 0.00 0.00 179.45 178.11 2kc0 s SER 186 N -4.98 0.78 0.26 7.07 0.01 -1.26 -5.08 113.70 110.50 2kc0 s SER 186 Ca -0.04 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.66 2kc0 s SER 186 Cb 0.12 0.05 0.35 0.00 0.21 0.00 0.00 66.02 66.75 2kc0 s SER 186 CO 0.38 -0.24 1.66 1.55 0.41 0.00 0.00 173.24 177.00 2kc0 h PRO 187 N 4.40 0.43 0.00 12.44 0.13 -1.97 -2.47 132.00 144.97 2kc0 h PRO 187 Ca -0.35 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2kc0 h PRO 187 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kc0 h PRO 187 CO 0.43 0.74 0.00 -0.85 -0.23 0.00 0.00 178.00 178.08 2kc0 n GLU 188 N -4.05 0.55 -0.01 0.86 0.28 -1.26 -1.28 120.64 115.73 2kc0 n GLU 188 Ca -0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.09 2kc0 n GLU 188 Cb 0.47 -1.18 -0.14 0.00 1.43 0.00 0.00 31.44 32.02 2kc0 n GLU 188 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kc0 n LEU 189 N -0.68 0.36 -4.76 -1.84 4.77 -0.93 -4.92 117.00 109.00 2kc0 n LEU 189 Ca 0.05 -0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.43 2kc0 n LEU 189 Cb 0.02 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2kc0 n LEU 189 CO 0.04 0.09 0.81 0.20 -1.33 0.00 0.00 177.39 177.19 2kc0 s ASN 190 N -3.80 7.22 0.20 -1.43 0.02 -0.40 -4.92 114.94 111.83 2kc0 s ASN 190 Ca -0.02 2.30 0.09 0.00 -1.02 0.00 0.00 52.86 54.21 2kc0 s ASN 190 Cb 0.14 -2.63 -0.05 0.00 0.02 0.00 0.00 41.25 38.74 2kc0 s ASN 190 CO 0.84 -0.18 -0.16 0.68 0.02 0.00 0.00 177.10 178.29 2kc0 s VAL 191 N -1.17 1.85 0.64 1.60 -7.23 -1.26 -4.87 120.40 109.95 2kc0 s VAL 191 Ca 0.45 -2.13 -0.14 0.00 -1.81 0.00 0.00 61.98 58.34 2kc0 s VAL 191 Cb -0.32 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2kc0 s VAL 191 CO 0.42 -0.48 1.07 -1.81 -0.31 0.00 0.00 175.10 173.99 2kc0 s ASP 192 N -3.11 5.49 -0.07 4.85 1.01 -1.26 -1.89 116.67 121.68 2kc0 s ASP 192 Ca 0.21 1.81 0.05 0.00 0.71 0.00 0.00 52.55 55.33 2kc0 s ASP 192 Cb -0.03 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 2kc0 s ASP 192 CO 0.08 -1.37 -0.22 -0.22 0.21 0.00 0.00 175.17 173.65 2kc0 s LEU 193 N -4.86 2.01 -0.23 1.23 2.96 -1.25 -3.50 118.68 115.03 2kc0 s LEU 193 Ca 0.63 -0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 53.77 2kc0 s LEU 193 Cb -0.17 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.26 2kc0 s LEU 193 CO 0.42 0.19 1.16 0.00 -1.32 0.00 0.00 176.35 176.80 2kc0 s ALA 194 N 0.07 3.60 0.22 5.97 0.00 -0.62 -4.35 121.76 126.66 2kc0 s ALA 194 Ca -0.09 0.22 -0.32 0.00 0.00 0.00 0.00 51.96 51.78 2kc0 s ALA 194 Cb -0.15 -3.63 -0.14 0.00 0.00 0.00 0.00 23.12 19.21 2kc0 s ALA 194 CO 0.05 -1.27 1.38 0.00 0.00 0.00 0.00 175.76 175.92 2kc0 n ALA 195 N 6.70 0.82 -3.49 0.00 0.00 -1.26 -4.17 120.51 119.11 2kc0 n ALA 195 Ca 0.13 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 2kc0 n ALA 195 Cb 0.46 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.56 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 -0.02 -0.95 0.60 0.00 0.00 -0.41 -4.91 121.76 116.07 2kc0 s ALA 196 Ca 0.70 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.89 2kc0 s ALA 196 Cb -0.68 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 21.72 2kc0 s ALA 196 CO 0.49 -0.22 0.87 0.16 0.00 0.00 0.00 175.76 177.07 2kc0 s ASP 197 N 0.80 5.22 0.43 0.00 -4.77 -1.26 -0.52 116.67 116.58 2kc0 s ASP 197 Ca -0.05 0.31 -0.23 0.00 -3.30 0.00 0.00 52.55 49.28 2kc0 s ASP 197 Cb -0.06 -1.17 -0.08 0.00 -1.09 0.00 0.00 42.92 40.52 2kc0 s ASP 197 CO -0.06 -1.25 1.11 0.27 0.70 0.00 0.00 175.17 175.95 2kc0 s ILE 198 N -2.95 3.38 -0.00 2.11 -4.36 -1.26 -4.21 121.20 113.91 2kc0 s ILE 198 Ca 0.57 1.05 0.06 0.00 -0.26 0.00 0.00 60.65 62.07 2kc0 s ILE 198 Cb -0.10 -3.54 -0.03 0.00 1.25 0.00 0.00 42.46 40.04 2kc0 s ILE 198 CO 0.42 -0.00 -0.18 -1.59 0.24 0.00 0.00 174.94 173.82 2kc0 s LYS 199 N -2.60 2.22 0.36 0.37 0.00 -0.65 -5.01 119.74 114.44 2kc0 s LYS 199 Ca 0.61 -0.87 -0.14 0.00 0.00 0.00 0.00 55.97 55.56 2kc0 s LYS 199 Cb -0.26 -2.23 -0.08 0.00 0.00 0.00 0.00 37.83 35.26 2kc0 s LYS 199 CO 0.32 0.57 0.78 -1.25 0.00 0.00 0.00 175.35 175.77 2kc0 s PRO 200 N -1.06 3.96 0.00 1.78 0.04 -1.26 -4.02 135.00 134.44 2kc0 s PRO 200 Ca 0.13 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2kc0 s PRO 200 Cb -0.10 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2kc0 s PRO 200 CO 0.03 0.06 0.00 -0.25 0.04 0.00 0.00 177.00 176.88 2kc0 n ASP 201 N -0.71 0.00 -4.78 6.66 8.00 -1.26 -5.07 116.55 119.38 2kc0 n ASP 201 Ca 0.04 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.22 2kc0 n ASP 201 Cb 0.53 0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 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 -0.78 2.02 0.46 0.44 0.00 -1.26 -5.03 107.32 103.17 2kc0 s GLY 202 Ca 0.00 -0.93 0.25 0.00 0.00 0.00 0.00 44.72 44.04 2kc0 s GLY 202 CO 0.00 -0.86 1.73 0.07 0.00 0.00 0.00 173.10 174.04 2kc0 h LYS 203 N 3.73 0.00 0.00 2.90 2.10 -2.04 -2.33 116.57 120.93 2kc0 h LYS 203 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2kc0 h LYS 203 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2kc0 h LYS 203 CO 0.64 0.00 0.00 2.89 -2.00 0.00 0.00 179.45 180.98 2kc0 n ARG 204 N -2.48 0.12 -4.38 0.07 1.85 -1.26 -4.99 116.66 105.59 2kc0 n ARG 204 Ca -0.02 -0.36 -0.25 0.00 -1.00 0.00 0.00 57.85 56.22 2kc0 n ARG 204 Cb 0.21 -0.63 -0.13 0.00 -1.05 0.00 0.00 32.46 30.85 2kc0 n ARG 204 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2kc0 s HIS 205 N -0.10 1.92 0.18 2.89 3.76 -0.88 -3.90 115.29 119.17 2kc0 s HIS 205 Ca 0.00 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2kc0 s HIS 205 Cb 0.00 -1.06 -0.05 0.00 1.11 0.00 0.00 32.58 32.58 2kc0 s HIS 205 CO 0.00 0.21 0.03 0.00 -0.85 0.00 0.00 174.74 174.14 2kc0 s ALA 206 N -1.08 1.34 -0.01 -1.40 0.00 -1.26 -4.31 121.76 115.04 2kc0 s ALA 206 Ca 0.08 -1.63 -0.16 0.00 0.00 0.00 0.00 51.96 50.25 2kc0 s ALA 206 Cb -0.10 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2kc0 s ALA 206 CO 0.04 -0.38 0.34 0.08 0.00 0.00 0.00 175.76 175.84 2kc0 s VAL 207 N -3.75 0.06 -0.10 0.00 1.01 -1.26 -4.65 120.40 111.71 2kc0 s VAL 207 Ca 0.27 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2kc0 s VAL 207 Cb 0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2kc0 s VAL 207 CO 0.06 -0.25 -0.09 -0.63 0.00 0.00 0.00 175.10 174.19 2kc0 s ILE 208 N -1.51 3.48 -0.29 2.22 -1.09 -0.20 -1.64 121.20 122.17 2kc0 s ILE 208 Ca -0.12 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 2kc0 s ILE 208 Cb -0.04 -2.45 0.09 0.00 -1.58 0.00 0.00 42.46 38.48 2kc0 s ILE 208 CO 0.04 0.56 0.06 -0.44 -1.23 0.00 0.00 174.94 173.92 2kc0 s SER 209 N -0.27 4.02 0.25 3.58 0.01 -1.26 -2.88 113.70 117.15 2kc0 s SER 209 Ca 0.03 -1.57 0.01 0.00 1.31 0.00 0.00 55.95 55.73 2kc0 s SER 209 Cb -0.13 -1.02 -0.00 0.00 0.21 0.00 0.00 66.02 65.08 2kc0 s SER 209 CO 0.03 -0.37 0.04 0.61 0.41 0.00 0.00 173.24 173.96 2kc0 n GLY 210 N 4.74 3.75 3.48 3.44 0.00 -0.84 -4.84 105.19 114.91 2kc0 n GLY 210 Ca -0.03 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.59 2kc0 n GLY 210 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 211 N -2.43 3.43 -0.17 1.61 1.04 -1.26 -1.48 113.70 114.44 2kc0 s SER 211 Ca 0.06 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.37 2kc0 s SER 211 Cb 0.00 -0.28 0.05 0.00 0.10 0.00 0.00 66.02 65.88 2kc0 s SER 211 CO 0.04 -0.12 -0.04 -0.69 0.98 0.00 0.00 173.24 173.41 2kc0 s VAL 212 N -2.66 1.08 0.99 5.02 1.01 -0.73 -1.59 120.40 123.53 2kc0 s VAL 212 Ca 0.30 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 2kc0 s VAL 212 Cb -0.01 -1.30 0.19 0.00 0.00 0.00 0.00 36.38 35.26 2kc0 s VAL 212 CO 0.14 0.07 1.17 -0.76 0.00 0.00 0.00 175.10 175.72 2kc0 s LEU 213 N 1.64 1.83 -0.24 3.92 1.43 -1.23 -0.56 118.68 125.46 2kc0 s LEU 213 Ca -0.00 0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 53.81 2kc0 s LEU 213 Cb -0.16 -2.87 0.13 0.00 0.03 0.00 0.00 46.19 43.33 2kc0 s LEU 213 CO -0.07 -2.98 0.43 -0.47 0.23 0.00 0.00 176.35 173.48 2kc0 s TYR 214 N -3.33 -0.96 -1.24 0.29 5.04 -1.26 -4.81 117.35 111.07 2kc0 s TYR 214 Ca 0.68 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.48 2kc0 s TYR 214 Cb -0.11 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.39 2kc0 s TYR 214 CO 0.54 -0.69 0.00 0.09 -1.34 0.00 0.00 175.55 174.15 2kc0 n ASN 215 N 5.38 -4.33 -2.74 4.32 4.13 -1.26 -0.59 115.26 120.18 2kc0 n ASN 215 Ca -0.05 0.16 -0.17 0.00 1.68 0.00 0.00 54.58 56.21 2kc0 n ASN 215 Cb 0.50 -3.68 -0.00 0.00 -1.54 0.00 0.00 39.78 35.06 2kc0 n ASN 215 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kc0 n GLN 216 N -2.80 -2.80 -2.71 3.52 1.13 -1.26 -4.86 117.38 107.60 2kc0 n GLN 216 Ca -0.17 0.64 -0.08 0.00 -1.94 0.00 0.00 57.00 55.45 2kc0 n GLN 216 Cb 0.62 -5.30 0.10 0.00 0.11 0.00 0.00 30.24 25.76 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 -2.69 1.43 -3.11 -1.58 0.00 0.25 -5.15 120.51 109.66 2kc0 n ALA 217 Ca -0.12 -1.70 0.01 0.00 0.00 0.00 0.00 53.44 51.63 2kc0 n ALA 217 Cb 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2kc0 n ALA 217 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kc0 n GLU 218 N -0.37 0.08 -3.33 0.00 4.07 -1.20 -4.82 120.64 115.07 2kc0 n GLU 218 Ca 0.01 -0.19 -0.09 0.00 -0.06 0.00 0.00 57.16 56.83 2kc0 n GLU 218 Cb 0.82 0.25 -0.07 0.00 -0.06 0.00 0.00 31.44 32.38 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 -2.01 0.37 0.07 5.31 2.20 -1.26 -4.72 119.74 119.71 2kc0 s LYS 219 Ca 0.03 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 2kc0 s LYS 219 Cb -0.00 -0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 35.91 2kc0 s LYS 219 CO 0.01 -0.76 0.02 0.41 -0.36 0.00 0.00 175.35 174.66 2kc0 n GLY 220 N 5.36 4.00 3.05 5.54 0.00 0.28 -2.82 105.19 120.59 2kc0 n GLY 220 Ca -0.02 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 2kc0 n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 221 N -1.44 0.06 0.04 1.61 1.04 0.40 -1.77 113.70 113.64 2kc0 s SER 221 Ca 0.02 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2kc0 s SER 221 Cb 0.00 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 2kc0 s SER 221 CO 0.02 -0.28 -0.07 -0.72 0.98 0.00 0.00 173.24 173.17 2kc0 s TYR 222 N -1.10 0.59 -0.02 5.02 -0.85 -0.55 -0.66 117.35 119.78 2kc0 s TYR 222 Ca -0.12 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 2kc0 s TYR 222 Cb -0.07 -0.36 0.02 0.00 0.38 0.00 0.00 41.96 41.93 2kc0 s TYR 222 CO 0.01 -0.12 0.00 0.45 -1.52 0.00 0.00 175.55 174.37 2kc0 s SER 223 N -1.68 0.32 0.29 -0.18 0.15 -0.27 -1.99 113.70 110.35 2kc0 s SER 223 Ca -0.10 -0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.38 2kc0 s SER 223 Cb -0.09 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.08 2kc0 s SER 223 CO -0.00 -0.08 0.64 -1.48 1.20 0.00 0.00 173.24 173.51 2kc0 s LEU 224 N 0.84 0.07 0.25 3.45 0.05 -1.14 -0.86 118.68 121.35 2kc0 s LEU 224 Ca -0.08 -0.88 0.01 0.00 0.05 0.00 0.00 54.13 53.23 2kc0 s LEU 224 Cb -0.11 2.35 -0.04 0.00 -2.05 0.00 0.00 46.19 46.33 2kc0 s LEU 224 CO -0.02 -1.34 0.13 -0.83 -0.55 0.00 0.00 176.35 173.74 2kc0 s GLY 225 N -3.00 1.73 -0.08 -3.48 0.00 -1.11 -1.03 107.32 100.35 2kc0 s GLY 225 Ca 0.17 -1.80 -0.22 0.00 0.00 0.00 0.00 44.72 42.87 2kc0 s GLY 225 CO 0.10 -1.53 0.67 -0.42 0.00 0.00 0.00 173.10 171.91 2kc0 s ILE 226 N -3.84 5.06 0.19 0.90 -1.09 -1.26 -3.89 121.20 117.27 2kc0 s ILE 226 Ca 0.38 1.36 0.09 0.00 -2.23 0.00 0.00 60.65 60.24 2kc0 s ILE 226 Cb 0.07 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2kc0 s ILE 226 CO 0.14 0.25 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.56 2kc0 s PHE 227 N 0.87 1.87 0.05 3.97 0.40 -0.72 -3.38 117.98 121.05 2kc0 s PHE 227 Ca 0.35 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 2kc0 s PHE 227 Cb -0.17 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.45 2kc0 s PHE 227 CO 0.16 0.38 0.00 0.41 0.70 0.00 0.00 175.22 176.88 2kc0 n GLY 228 N 0.07 -2.77 0.07 4.36 0.00 0.19 -1.49 105.19 105.63 2kc0 n GLY 228 Ca -0.11 -1.35 0.04 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.94 -0.59 2.66 -0.02 0.00 -1.26 -2.89 105.19 101.14 2kc0 n GLY 229 Ca -0.00 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2kc0 n GLY 229 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kc0 n LYS 230 N -1.77 0.87 -3.82 1.61 2.85 -1.26 -5.02 118.16 111.61 2kc0 n LYS 230 Ca -0.01 -2.04 -0.29 0.00 -1.05 0.00 0.00 58.31 54.92 2kc0 n LYS 230 Cb 0.09 -1.31 0.02 0.00 -0.65 0.00 0.00 35.03 33.19 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kc0 n ALA 231 N 1.11 -1.24 -0.29 0.58 0.00 -1.14 -4.90 120.51 114.63 2kc0 n ALA 231 Ca 0.10 0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.72 2kc0 n ALA 231 Cb 0.65 -4.33 0.15 0.00 0.00 0.00 0.00 19.45 15.92 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 -1.95 1.15 -2.78 0.00 5.75 -1.46 -3.42 115.11 112.40 2kc0 h GLN 232 Ca -0.56 -0.11 0.07 0.00 -0.15 0.00 0.00 58.65 57.90 2kc0 h GLN 232 Cb 1.37 -0.24 -0.09 0.00 1.07 0.00 0.00 27.48 29.58 2kc0 h GLN 232 CO 0.66 0.81 0.31 -1.83 -2.65 0.00 0.00 178.83 176.12 2kc0 s GLU 233 N -5.86 1.38 -0.01 1.69 -1.05 -1.14 -0.90 118.70 112.80 2kc0 s GLU 233 Ca -0.12 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 2kc0 s GLU 233 Cb 0.17 0.53 0.01 0.00 -0.44 0.00 0.00 34.13 34.41 2kc0 s GLU 233 CO 0.81 -0.62 0.00 0.14 0.95 0.00 0.00 175.26 176.55 2kc0 s VAL 234 N -3.64 0.06 0.05 1.83 -7.23 0.25 -1.75 120.40 109.97 2kc0 s VAL 234 Ca 0.07 0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 60.29 2kc0 s VAL 234 Cb -0.03 -0.12 -0.03 0.00 0.56 0.00 0.00 36.38 36.76 2kc0 s VAL 234 CO -0.03 0.07 0.00 0.00 -0.31 0.00 0.00 175.10 174.84 2kc0 s ALA 235 N 0.55 0.37 0.00 1.32 0.00 -1.25 -2.14 121.76 120.60 2kc0 s ALA 235 Ca -0.05 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2kc0 s ALA 235 Cb -0.07 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.34 2kc0 s ALA 235 CO -0.01 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2kc0 n GLY 236 N 0.20 -0.57 3.16 0.00 0.00 -1.25 -2.74 105.19 104.00 2kc0 n GLY 236 Ca -0.15 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.04 0.04 1.61 1.04 -0.04 -2.56 113.70 109.75 2kc0 s SER 237 Ca 0.00 -0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.30 2kc0 s SER 237 Cb 0.00 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 2kc0 s SER 237 CO 0.00 -0.44 -0.10 0.00 0.98 0.00 0.00 173.24 173.68 2kc0 s ALA 238 N -1.66 0.80 0.07 5.32 0.00 -0.07 -1.11 121.76 125.11 2kc0 s ALA 238 Ca -0.12 -0.72 0.10 0.00 0.00 0.00 0.00 51.96 51.21 2kc0 s ALA 238 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2kc0 s ALA 238 CO 0.01 0.10 -0.26 -2.00 0.00 0.00 0.00 175.76 173.61 2kc0 s GLU 239 N -1.22 1.61 -0.13 0.00 -6.30 0.16 -0.89 118.70 111.92 2kc0 s GLU 239 Ca -0.03 -1.16 -0.08 0.00 -2.50 0.00 0.00 54.97 51.19 2kc0 s GLU 239 Cb -0.08 -1.87 0.05 0.00 0.00 0.00 0.00 34.13 32.22 2kc0 s GLU 239 CO 0.01 0.47 0.32 0.54 0.02 0.00 0.00 175.26 176.62 2kc0 s VAL 240 N -0.89 -0.02 -1.13 3.70 0.11 -0.19 -0.45 120.40 121.52 2kc0 s VAL 240 Ca 0.12 0.09 -0.05 0.00 -2.93 0.00 0.00 61.98 59.20 2kc0 s VAL 240 Cb -0.10 -0.48 0.27 0.00 -1.53 0.00 0.00 36.38 34.54 2kc0 s VAL 240 CO 0.03 0.04 1.60 0.29 -3.33 0.00 0.00 175.10 173.73 2kc0 n LYS 241 N 3.90 4.29 -1.06 1.54 5.02 -1.13 -0.93 118.16 129.79 2kc0 n LYS 241 Ca -0.21 -4.29 -0.29 0.00 -2.02 0.00 0.00 58.31 51.49 2kc0 n LYS 241 Cb 0.55 -2.62 0.24 0.00 -0.02 0.00 0.00 35.03 33.19 2kc0 n LYS 241 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2kc0 n THR 242 N 1.80 0.00 0.22 -0.18 -2.24 -1.25 -4.62 114.28 108.01 2kc0 n THR 242 Ca 0.30 -0.50 0.18 0.00 -2.27 0.00 0.00 64.05 61.77 2kc0 n THR 242 Cb 0.34 -1.25 0.83 0.00 -2.10 0.00 0.00 70.33 68.14 2kc0 n THR 242 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2kc0 h VAL 243 N -2.67 0.26 -0.01 2.28 -1.51 -1.95 0.21 116.25 112.86 2kc0 h VAL 243 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2kc0 h VAL 243 Cb 1.23 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2kc0 h VAL 243 CO 0.27 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.20 2kc0 n ASN 244 N -3.43 0.21 0.00 4.19 3.02 -1.26 -4.98 115.26 113.01 2kc0 n ASN 244 Ca 0.02 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 2kc0 n ASN 244 Cb 0.42 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 0.94 2.66 3.25 7.41 0.00 0.73 -4.91 105.19 115.28 2kc0 n GLY 245 Ca 0.20 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 0.03 0.01 -0.61 1.10 -1.26 -3.86 121.20 116.61 2kc0 s ILE 246 Ca 0.00 -0.25 -0.03 0.00 -0.51 0.00 0.00 60.65 59.86 2kc0 s ILE 246 Cb 0.00 -0.58 -0.01 0.00 0.15 0.00 0.00 42.46 42.02 2kc0 s ILE 246 CO 0.00 -0.14 0.03 -0.13 -2.11 0.00 0.00 174.94 172.60 2kc0 s ARG 247 N -0.65 0.38 0.18 3.50 1.81 -0.11 -4.83 118.95 119.23 2kc0 s ARG 247 Ca -0.08 -0.53 0.11 0.00 -1.72 0.00 0.00 55.73 53.51 2kc0 s ARG 247 Cb -0.04 0.15 -0.04 0.00 -0.45 0.00 0.00 34.95 34.56 2kc0 s ARG 247 CO 0.03 -0.08 -0.23 -1.01 -0.68 0.00 0.00 175.30 173.33 2kc0 s HIS 248 N -1.44 2.20 0.00 -0.53 3.76 -1.26 -1.02 115.29 117.00 2kc0 s HIS 248 Ca -0.15 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.40 2kc0 s HIS 248 Cb -0.09 -1.11 -0.01 0.00 1.11 0.00 0.00 32.58 32.49 2kc0 s HIS 248 CO -0.00 0.45 -0.08 0.42 -0.85 0.00 0.00 174.74 174.68 2kc0 s ILE 249 N -1.65 0.61 0.14 0.60 1.01 -0.07 -3.59 121.20 118.24 2kc0 s ILE 249 Ca 0.19 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 2kc0 s ILE 249 Cb -0.08 -0.53 -0.06 0.00 0.01 0.00 0.00 42.46 41.80 2kc0 s ILE 249 CO 0.09 0.11 0.48 -0.83 0.00 0.00 0.00 174.94 174.79 2kc0 s GLY 250 N -0.35 2.37 -0.12 6.18 0.00 0.06 -0.89 107.32 114.57 2kc0 s GLY 250 Ca 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 44.72 44.42 2kc0 s GLY 250 CO -0.00 -0.06 -0.00 1.08 0.00 0.00 0.00 173.10 174.12 2kc0 s LEU 251 N -2.15 3.52 -0.45 0.66 2.01 -1.06 -2.64 118.68 118.58 2kc0 s LEU 251 Ca 0.38 0.06 0.06 0.00 0.01 0.00 0.00 54.13 54.64 2kc0 s LEU 251 Cb -0.14 -1.83 0.18 0.00 0.01 0.00 0.00 46.19 44.41 2kc0 s LEU 251 CO 0.19 0.29 0.58 0.00 1.01 0.00 0.00 176.35 178.42 2kc0 s ALA 252 N -0.33 -1.34 0.05 4.21 0.00 -1.13 -3.82 121.76 119.39 2kc0 s ALA 252 Ca 0.07 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.42 2kc0 s ALA 252 Cb -0.12 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 2kc0 s ALA 252 CO 0.02 -2.18 -0.15 0.00 0.00 0.00 0.00 175.76 173.45 2kc0 s ALA 253 N 1.12 1.28 0.03 0.00 0.00 -0.91 -1.27 121.76 122.01 2kc0 s ALA 253 Ca 0.24 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.32 2kc0 s ALA 253 Cb -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2kc0 s ALA 253 CO -0.07 0.24 -0.08 0.21 0.00 0.00 0.00 175.76 176.06 2kc0 s LYS 254 N -1.27 0.55 0.00 0.00 2.20 -0.73 -0.58 119.74 119.90 2kc0 s LYS 254 Ca 0.02 -0.62 0.16 0.00 -0.36 0.00 0.00 55.97 55.17 2kc0 s LYS 254 Cb -0.08 -0.40 0.96 0.00 -1.51 0.00 0.00 37.83 36.80 2kc0 s LYS 254 CO 0.02 0.09 1.37 0.94 -0.36 0.00 0.00 175.35 177.40