#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 -0.33 0.16 0.00 0.00 -1.26 -3.37 105.19 100.38 2kc0 n GLY 15 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.26 -0.55 0.99 3.38 -1.95 -2.51 115.31 114.42 2kc0 h LEU 16 Ca 0.00 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2kc0 h LEU 16 Cb 0.00 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2kc0 h LEU 16 CO 0.00 0.05 0.35 0.00 0.09 0.00 0.00 178.44 178.93 2kc0 h ALA 17 N 0.09 0.70 0.00 1.53 0.00 -1.67 -2.65 119.26 117.27 2kc0 h ALA 17 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kc0 h ALA 17 Cb 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kc0 h ALA 17 CO 0.05 0.09 0.00 -3.47 0.00 0.00 0.00 179.25 175.92 2kc0 n ASP 18 N -4.74 0.00 -0.00 0.00 2.03 -1.19 -1.13 116.55 111.52 2kc0 n ASP 18 Ca 0.04 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.01 2kc0 n ASP 18 Cb 0.05 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.44 2kc0 n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kc0 n ALA 19 N -0.88 2.07 -0.08 -1.67 0.00 -0.95 -4.74 120.51 114.27 2kc0 n ALA 19 Ca 0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2kc0 n ALA 19 Cb 0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 19.45 19.30 2kc0 n ALA 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kc0 n LEU 20 N -1.20 1.30 0.00 0.00 7.99 -0.28 -4.47 117.00 120.34 2kc0 n LEU 20 Ca 0.00 0.06 -0.11 0.00 -0.01 0.00 0.00 56.01 55.95 2kc0 n LEU 20 Cb 0.02 -0.14 -0.05 0.00 -0.11 0.00 0.00 43.42 43.13 2kc0 n LEU 20 CO 0.02 0.65 0.88 0.71 -1.51 0.00 0.00 177.39 178.13 2kc0 h THR 21 N 0.01 0.97 -3.57 -5.08 1.35 -1.48 -3.44 112.91 101.67 2kc0 h THR 21 Ca -0.50 -0.02 -0.04 0.00 -0.55 0.00 0.00 66.41 65.30 2kc0 h THR 21 Cb 2.09 0.89 -0.09 0.00 -1.73 0.00 0.00 68.15 69.31 2kc0 h THR 21 CO 0.01 0.01 -0.07 0.00 -0.25 0.00 0.00 175.52 175.22 2kc0 s ALA 22 N -6.19 -0.37 1.05 6.62 0.00 -1.26 -5.12 121.76 116.49 2kc0 s ALA 22 Ca -0.13 -0.80 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 2kc0 s ALA 22 Cb 0.08 1.04 0.22 0.00 0.00 0.00 0.00 23.12 24.45 2kc0 s ALA 22 CO 0.67 -0.88 1.09 -1.25 0.00 0.00 0.00 175.76 175.39 2kc0 s PRO 23 N -4.00 -0.00 0.32 0.00 0.04 -1.26 -4.45 135.00 125.64 2kc0 s PRO 23 Ca 0.21 0.45 0.07 0.00 0.04 0.00 0.00 61.00 61.77 2kc0 s PRO 23 Cb -0.01 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 2kc0 s PRO 23 CO 0.09 -3.01 0.31 -0.51 0.04 0.00 0.00 177.00 173.91 2kc0 s LEU 24 N -6.62 3.71 -0.08 -3.56 2.01 -1.26 -4.98 118.68 107.89 2kc0 s LEU 24 Ca 0.66 -0.39 -0.31 0.00 0.01 0.00 0.00 54.13 54.10 2kc0 s LEU 24 Cb -0.18 -2.34 -0.09 0.00 0.01 0.00 0.00 46.19 43.59 2kc0 s LEU 24 CO 0.58 -0.30 2.02 0.47 1.01 0.00 0.00 176.35 180.13 2kc0 n ASP 25 N -1.38 3.62 0.00 2.29 9.92 -1.26 -4.87 116.55 124.87 2kc0 n ASP 25 Ca -0.03 0.73 0.08 0.00 -0.53 0.00 0.00 54.79 55.05 2kc0 n ASP 25 Cb 0.59 -1.47 0.49 0.00 -0.64 0.00 0.00 41.12 40.09 2kc0 n ASP 25 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2kc0 n HIS 26 N 8.36 0.00 0.06 1.24 8.25 -1.26 -4.38 115.22 127.50 2kc0 n HIS 26 Ca 0.24 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.68 2kc0 n HIS 26 Cb 0.37 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.47 2kc0 n HIS 26 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2kc0 h LYS 27 N 0.00 -0.18 -0.86 -0.41 1.79 -1.99 -3.47 116.57 111.44 2kc0 h LYS 27 Ca 0.00 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.65 2kc0 h LYS 27 Cb 0.00 0.04 -0.22 0.00 -1.58 0.00 0.00 32.23 30.47 2kc0 h LYS 27 CO 0.00 -0.12 0.02 0.16 -1.08 0.00 0.00 179.45 178.43 2kc0 s ASP 28 N -3.62 -0.82 0.00 0.86 -4.77 -1.26 -5.09 116.67 101.96 2kc0 s ASP 28 Ca -0.03 0.72 0.00 0.00 -3.30 0.00 0.00 52.55 49.94 2kc0 s ASP 28 Cb 0.00 1.77 0.00 0.00 -1.09 0.00 0.00 42.92 43.60 2kc0 s ASP 28 CO 0.08 -0.15 0.00 2.29 0.70 0.00 0.00 175.17 178.09 2kc0 n LYS 29 N 5.33 0.00 0.00 2.11 0.00 -1.26 -5.07 118.16 119.26 2kc0 n LYS 29 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2kc0 n LYS 29 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 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 -0.77 6.13 3.77 2.58 0.00 -0.48 -4.81 105.19 111.61 2kc0 n GLY 30 Ca 0.00 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 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 4.21 -0.25 0.99 0.20 -1.26 -4.81 118.68 117.76 2kc0 s LEU 31 Ca 0.00 2.73 -0.03 0.00 0.69 0.00 0.00 54.13 57.52 2kc0 s LEU 31 Cb 0.00 -3.89 -0.17 0.00 -0.43 0.00 0.00 46.19 41.70 2kc0 s LEU 31 CO 0.00 -0.91 -0.17 0.00 -0.29 0.00 0.00 176.35 174.98 2kc0 n GLN 32 N 0.10 0.65 -3.51 1.98 6.02 -1.26 -1.58 117.38 119.78 2kc0 n GLN 32 Ca 0.04 0.20 -0.16 0.00 -0.01 0.00 0.00 57.00 57.07 2kc0 n GLN 32 Cb 0.43 -1.54 -0.05 0.00 1.02 0.00 0.00 30.24 30.09 2kc0 n GLN 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kc0 s SER 33 N -6.80 -0.61 0.08 1.08 0.15 -1.26 -0.69 113.70 105.66 2kc0 s SER 33 Ca -0.34 0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.88 2kc0 s SER 33 Cb 0.10 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 2kc0 s SER 33 CO 0.60 -0.65 -0.10 -1.48 1.20 0.00 0.00 173.24 172.81 2kc0 s LEU 34 N -1.51 2.38 0.10 3.45 0.05 -0.37 -4.95 118.68 117.83 2kc0 s LEU 34 Ca -0.07 -0.76 -0.13 0.00 0.05 0.00 0.00 54.13 53.21 2kc0 s LEU 34 Cb -0.00 -0.27 -0.06 0.00 -2.05 0.00 0.00 46.19 43.80 2kc0 s LEU 34 CO 0.04 -0.25 0.48 -0.89 -0.55 0.00 0.00 176.35 175.18 2kc0 s THR 35 N -2.25 4.95 -0.83 5.48 2.01 -1.26 -0.78 115.64 122.96 2kc0 s THR 35 Ca 0.02 0.72 -0.02 0.00 0.31 0.00 0.00 61.69 62.72 2kc0 s THR 35 Cb -0.04 -3.71 0.35 0.00 0.01 0.00 0.00 72.50 69.11 2kc0 s THR 35 CO -0.00 0.32 2.05 0.18 -0.69 0.00 0.00 174.62 176.48 2kc0 n LEU 36 N 1.03 7.52 0.19 4.42 4.32 -0.67 -4.81 117.00 129.00 2kc0 n LEU 36 Ca -0.08 -4.79 -0.08 0.00 -0.02 0.00 0.00 56.01 51.04 2kc0 n LEU 36 Cb 0.52 -1.07 -0.04 0.00 -1.62 0.00 0.00 43.42 41.21 2kc0 n LEU 36 CO 0.42 1.74 0.51 0.44 -1.22 0.00 0.00 177.39 179.28 2kc0 h ASP 37 N 2.95 -0.51 -0.04 -1.43 3.32 -1.87 -2.55 116.42 116.30 2kc0 h ASP 37 Ca 0.57 0.03 -0.69 0.00 0.02 0.00 0.00 57.03 56.96 2kc0 h ASP 37 Cb 0.08 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2kc0 h ASP 37 CO 1.43 -0.32 3.56 1.67 -1.72 0.00 0.00 179.24 183.87 2kc0 n GLN 38 N -3.53 3.43 0.10 3.56 -0.06 -1.26 -3.61 117.38 116.00 2kc0 n GLN 38 Ca -0.06 -2.38 0.00 0.00 -2.00 0.00 0.00 57.00 52.55 2kc0 n GLN 38 Cb 0.21 -2.97 0.00 0.00 -4.06 0.00 0.00 30.24 23.42 2kc0 n GLN 38 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2kc0 n SER 39 N 4.42 -1.55 -4.10 1.69 2.88 -1.15 -4.16 113.62 111.64 2kc0 n SER 39 Ca 0.69 0.39 -0.11 0.00 -1.33 0.00 0.00 58.87 58.51 2kc0 n SER 39 Cb 0.29 1.66 -0.08 0.00 -0.75 0.00 0.00 64.21 65.33 2kc0 n SER 39 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kc0 s VAL 40 N -2.00 0.02 0.47 2.46 0.11 -0.97 -5.14 120.40 115.34 2kc0 s VAL 40 Ca 0.00 -1.73 0.03 0.00 -2.93 0.00 0.00 61.98 57.35 2kc0 s VAL 40 Cb 0.00 -2.28 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 2kc0 s VAL 40 CO 0.00 -0.08 0.01 -0.13 -3.33 0.00 0.00 175.10 171.57 2kc0 s ARG 41 N -4.08 2.09 0.00 1.54 1.81 -1.26 -4.80 118.95 114.25 2kc0 s ARG 41 Ca 0.30 -2.28 0.00 0.00 -1.72 0.00 0.00 55.73 52.03 2kc0 s ARG 41 Cb 0.04 -1.53 0.00 0.00 -0.45 0.00 0.00 34.95 33.01 2kc0 s ARG 41 CO 0.09 -0.25 0.42 1.63 -0.68 0.00 0.00 175.30 176.51 2kc0 n LYS 42 N -1.13 0.49 0.00 3.54 5.02 -1.26 -3.33 118.16 121.49 2kc0 n LYS 42 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2kc0 n LYS 42 Cb 0.67 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 2kc0 n LYS 42 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2kc0 n ASN 43 N -0.28 0.53 -4.63 4.39 0.23 -1.25 -4.88 115.26 109.37 2kc0 n ASN 43 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.62 2kc0 n ASN 43 Cb 0.04 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.71 2kc0 n ASN 43 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2kc0 s GLU 44 N -1.82 3.93 0.34 -3.83 2.02 -1.21 -4.91 118.70 113.22 2kc0 s GLU 44 Ca 0.00 1.28 -0.12 0.00 0.02 0.00 0.00 54.97 56.15 2kc0 s GLU 44 Cb 0.00 -3.88 -0.08 0.00 0.10 0.00 0.00 34.13 30.28 2kc0 s GLU 44 CO 0.00 -1.10 0.72 0.15 0.02 0.00 0.00 175.26 175.05 2kc0 s LYS 45 N 4.14 3.87 -0.11 1.61 1.02 -0.75 -4.28 119.74 125.25 2kc0 s LYS 45 Ca 0.57 0.51 -0.09 0.00 0.02 0.00 0.00 55.97 56.98 2kc0 s LYS 45 Cb -0.17 -2.45 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2kc0 s LYS 45 CO 0.23 0.10 0.28 -1.17 -0.92 0.00 0.00 175.35 173.87 2kc0 s LEU 46 N -3.34 0.73 -0.05 3.17 1.98 -0.85 -1.52 118.68 118.81 2kc0 s LEU 46 Ca 0.52 0.58 0.01 0.00 -2.89 0.00 0.00 54.13 52.34 2kc0 s LEU 46 Cb -0.10 0.94 0.02 0.00 0.66 0.00 0.00 46.19 47.71 2kc0 s LEU 46 CO 0.24 -0.12 -0.04 -0.75 -1.89 0.00 0.00 176.35 173.79 2kc0 s LYS 47 N 0.50 0.83 0.20 1.98 2.36 -0.06 -0.21 119.74 125.33 2kc0 s LYS 47 Ca -0.03 -0.08 0.04 0.00 -2.55 0.00 0.00 55.97 53.35 2kc0 s LYS 47 Cb -0.04 -0.90 -0.03 0.00 -1.05 0.00 0.00 37.83 35.81 2kc0 s LYS 47 CO -0.03 -0.12 0.29 -0.51 1.55 0.00 0.00 175.35 176.53 2kc0 s LEU 48 N 1.11 4.23 -0.10 5.43 1.02 0.61 -0.94 118.68 130.04 2kc0 s LEU 48 Ca -0.08 0.06 -0.09 0.00 0.02 0.00 0.00 54.13 54.04 2kc0 s LEU 48 Cb -0.14 -2.78 0.03 0.00 0.02 0.00 0.00 46.19 43.31 2kc0 s LEU 48 CO -0.01 -0.00 0.27 0.00 0.02 0.00 0.00 176.35 176.62 2kc0 s ALA 49 N -1.87 -0.66 -0.27 4.21 0.00 -0.71 -0.94 121.76 121.52 2kc0 s ALA 49 Ca 0.34 0.76 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 2kc0 s ALA 49 Cb -0.10 -0.44 0.07 0.00 0.00 0.00 0.00 23.12 22.65 2kc0 s ALA 49 CO 0.28 -0.13 0.68 0.00 0.00 0.00 0.00 175.76 176.59 2kc0 s ALA 50 N 0.19 -1.79 -1.48 0.00 0.00 0.15 -2.60 121.76 116.24 2kc0 s ALA 50 Ca -0.00 2.21 -0.11 0.00 0.00 0.00 0.00 51.96 54.05 2kc0 s ALA 50 Cb -0.02 -1.29 0.06 0.00 0.00 0.00 0.00 23.12 21.87 2kc0 s ALA 50 CO -0.00 -0.35 0.91 0.94 0.00 0.00 0.00 175.76 177.26 2kc0 n GLN 51 N 3.65 -5.63 0.00 0.00 7.27 -1.26 -1.95 117.38 119.45 2kc0 n GLN 51 Ca -0.18 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.56 2kc0 n GLN 51 Cb 0.57 -5.56 0.00 0.00 2.41 0.00 0.00 30.24 27.66 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 -1.67 2.65 3.95 1.69 0.00 -1.26 -4.71 105.19 105.85 2kc0 n GLY 52 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.60 3.78 -0.27 4.61 0.00 -0.82 -5.12 121.76 121.34 2kc0 s ALA 53 Ca 0.00 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 50.71 2kc0 s ALA 53 Cb 0.00 -1.98 0.07 0.00 0.00 0.00 0.00 23.12 21.21 2kc0 s ALA 53 CO 0.00 0.10 0.71 -1.83 0.00 0.00 0.00 175.76 174.74 2kc0 s GLU 54 N -4.13 0.83 -0.00 0.00 -1.05 -1.26 -0.67 118.70 112.42 2kc0 s GLU 54 Ca 0.38 0.99 0.03 0.00 -0.15 0.00 0.00 54.97 56.22 2kc0 s GLU 54 Cb -0.10 0.41 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 2kc0 s GLU 54 CO 0.33 -0.10 -0.09 0.15 0.95 0.00 0.00 175.26 176.50 2kc0 s LYS 55 N 0.38 0.71 0.02 -4.83 -0.14 -0.12 -4.92 119.74 110.85 2kc0 s LYS 55 Ca -0.00 -0.35 0.04 0.00 -1.36 0.00 0.00 55.97 54.29 2kc0 s LYS 55 Cb -0.05 -0.68 -0.03 0.00 -1.68 0.00 0.00 37.83 35.38 2kc0 s LYS 55 CO 0.01 0.19 -0.06 0.99 -0.76 0.00 0.00 175.35 175.71 2kc0 s THR 56 N -0.29 3.66 0.17 2.17 2.01 -1.26 -0.28 115.64 121.82 2kc0 s THR 56 Ca 0.03 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 2kc0 s THR 56 Cb -0.04 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 2kc0 s THR 56 CO -0.00 0.35 0.07 -0.31 -0.69 0.00 0.00 174.62 174.04 2kc0 s TYR 57 N -1.04 1.09 0.00 4.92 2.02 0.70 -4.99 117.35 120.05 2kc0 s TYR 57 Ca 0.18 -1.23 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 2kc0 s TYR 57 Cb -0.11 -0.60 0.00 0.00 -0.40 0.00 0.00 41.96 40.85 2kc0 s TYR 57 CO 0.09 -0.47 0.14 0.41 -1.57 0.00 0.00 175.55 174.15 2kc0 n GLY 58 N -0.21 0.11 0.00 0.71 0.00 -1.26 -2.01 105.19 102.52 2kc0 n GLY 58 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2kc0 n GLY 58 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kc0 n ASN 59 N 0.00 0.00 -3.76 1.61 0.23 -1.22 -3.95 115.26 108.17 2kc0 n ASN 59 Ca -0.01 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.63 2kc0 n ASN 59 Cb 0.17 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.80 2kc0 n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kc0 n GLY 60 N 0.00 1.94 4.02 4.83 0.00 -1.26 -4.66 105.19 110.05 2kc0 n GLY 60 Ca 0.00 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 2kc0 n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kc0 s ASP 61 N 5.62 4.63 0.11 1.61 1.01 -1.26 -4.94 116.67 123.45 2kc0 s ASP 61 Ca 0.61 -0.67 -0.25 0.00 0.71 0.00 0.00 52.55 52.95 2kc0 s ASP 61 Cb 0.12 0.28 0.07 0.00 1.01 0.00 0.00 42.92 44.39 2kc0 s ASP 61 CO 0.16 -1.68 0.62 -0.94 0.21 0.00 0.00 175.17 173.54 2kc0 s SER 62 N -4.74 -0.59 -0.05 0.27 1.04 -1.26 -1.68 113.70 106.69 2kc0 s SER 62 Ca 0.65 0.18 0.03 0.00 0.48 0.00 0.00 55.95 57.29 2kc0 s SER 62 Cb -0.05 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2kc0 s SER 62 CO 0.42 -0.88 -0.14 -0.22 0.98 0.00 0.00 173.24 173.40 2kc0 s LEU 63 N -2.36 1.80 0.59 2.42 2.96 0.04 -4.92 118.68 119.22 2kc0 s LEU 63 Ca -0.02 -0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 53.44 2kc0 s LEU 63 Cb -0.01 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 2kc0 s LEU 63 CO -0.07 0.10 1.03 0.20 -1.32 0.00 0.00 176.35 176.28 2kc0 s ASN 64 N 0.29 6.06 0.00 3.68 0.01 -1.26 -1.23 114.94 122.48 2kc0 s ASN 64 Ca -0.08 1.62 0.00 0.00 -0.71 0.00 0.00 52.86 53.69 2kc0 s ASN 64 Cb -0.13 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.03 2kc0 s ASN 64 CO 0.03 -0.98 0.05 1.07 -1.51 0.00 0.00 177.10 175.76 2kc0 n THR 65 N -2.24 0.00 -0.18 1.60 5.66 0.13 -4.90 114.28 114.36 2kc0 n THR 65 Ca 0.07 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.03 2kc0 n THR 65 Cb 0.54 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.27 2kc0 n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kc0 n GLY 66 N 0.00 -2.03 0.06 1.09 0.00 -0.62 -4.55 105.19 99.15 2kc0 n GLY 66 Ca 0.00 0.68 -0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -4.02 0.25 -0.07 1.61 0.00 -1.26 -1.38 118.16 113.28 2kc0 n LYS 67 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.28 2kc0 n LYS 67 Cb 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 35.03 35.12 2kc0 n LYS 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kc0 n LEU 68 N 0.00 -0.06 0.00 3.14 4.32 -1.26 -4.87 117.00 118.27 2kc0 n LEU 68 Ca 0.00 0.12 -0.28 0.00 -0.02 0.00 0.00 56.01 55.84 2kc0 n LEU 68 Cb 0.01 0.28 -0.07 0.00 -1.62 0.00 0.00 43.42 42.02 2kc0 n LEU 68 CO 0.01 -0.07 -0.18 2.29 -1.22 0.00 0.00 177.39 178.21 2kc0 n LYS 69 N -1.86 0.61 -0.57 3.23 -0.00 -1.26 -4.86 118.16 113.44 2kc0 n LYS 69 Ca -0.00 -3.61 0.08 0.00 -0.00 0.00 0.00 58.31 54.78 2kc0 n LYS 69 Cb 0.03 1.74 -0.02 0.00 -0.00 0.00 0.00 35.03 36.78 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 -1.46 -3.39 -3.82 -5.58 3.02 -1.26 -4.94 115.26 97.82 2kc0 n ASN 70 Ca -0.09 0.23 -0.27 0.00 -0.03 0.00 0.00 54.58 54.42 2kc0 n ASN 70 Cb 0.64 -1.73 -0.17 0.00 -0.61 0.00 0.00 39.78 37.91 2kc0 n ASN 70 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2kc0 s ASP 71 N -4.11 2.58 0.07 6.41 1.47 -1.26 -4.71 116.67 117.11 2kc0 s ASP 71 Ca 0.00 -0.58 -0.27 0.00 1.18 0.00 0.00 52.55 52.88 2kc0 s ASP 71 Cb 0.00 -0.71 0.08 0.00 -0.34 0.00 0.00 42.92 41.95 2kc0 s ASP 71 CO 0.00 -0.22 0.94 -1.59 0.68 0.00 0.00 175.17 174.98 2kc0 s LYS 72 N 1.78 0.98 -0.14 2.11 -2.85 -0.31 -4.99 119.74 116.31 2kc0 s LYS 72 Ca 0.01 -0.47 -0.26 0.00 -1.00 0.00 0.00 55.97 54.25 2kc0 s LYS 72 Cb -0.15 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 2kc0 s LYS 72 CO -0.07 -0.44 0.86 0.14 0.10 0.00 0.00 175.35 175.94 2kc0 s VAL 73 N -3.17 4.87 0.16 1.79 -7.23 -1.26 -0.47 120.40 115.09 2kc0 s VAL 73 Ca 0.09 1.71 -0.17 0.00 -1.81 0.00 0.00 61.98 61.81 2kc0 s VAL 73 Cb -0.01 -4.17 -0.07 0.00 0.56 0.00 0.00 36.38 32.69 2kc0 s VAL 73 CO -0.03 0.04 0.61 -0.44 -0.31 0.00 0.00 175.10 174.97 2kc0 s SER 74 N 1.11 6.94 -0.11 4.85 0.01 0.22 -4.93 113.70 121.79 2kc0 s SER 74 Ca 0.41 1.22 -0.23 0.00 1.31 0.00 0.00 55.95 58.65 2kc0 s SER 74 Cb -0.17 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 2kc0 s SER 74 CO 0.14 0.11 0.71 0.00 0.41 0.00 0.00 173.24 174.62 2kc0 s ARG 75 N -1.81 4.37 0.04 12.44 1.70 -1.26 -2.03 118.95 132.39 2kc0 s ARG 75 Ca 0.38 0.86 0.01 0.00 -0.47 0.00 0.00 55.73 56.50 2kc0 s ARG 75 Cb -0.16 -3.49 -0.03 0.00 -0.57 0.00 0.00 34.95 30.70 2kc0 s ARG 75 CO 0.20 -0.07 -0.05 -0.06 -1.08 0.00 0.00 175.30 174.25 2kc0 s PHE 76 N 1.26 0.46 0.08 5.89 0.08 -0.93 -4.97 117.98 119.84 2kc0 s PHE 76 Ca 0.36 -0.63 0.04 0.00 0.12 0.00 0.00 56.93 56.82 2kc0 s PHE 76 Cb -0.17 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 41.94 2kc0 s PHE 76 CO 0.16 -0.19 0.01 -0.51 -0.10 0.00 0.00 175.22 174.59 2kc0 s ASP 77 N -1.84 5.13 0.06 1.36 1.11 -1.07 -1.90 116.67 119.52 2kc0 s ASP 77 Ca -0.09 -0.13 -0.05 0.00 0.18 0.00 0.00 52.55 52.46 2kc0 s ASP 77 Cb -0.06 -1.26 -0.02 0.00 1.07 0.00 0.00 42.92 42.65 2kc0 s ASP 77 CO -0.02 0.18 0.09 0.72 1.18 0.00 0.00 175.17 177.32 2kc0 s PHE 78 N -1.31 0.26 0.11 4.23 -0.12 -0.44 -1.74 117.98 118.98 2kc0 s PHE 78 Ca 0.26 -0.66 0.02 0.00 -0.05 0.00 0.00 56.93 56.50 2kc0 s PHE 78 Cb -0.12 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.05 2kc0 s PHE 78 CO 0.18 -0.42 -0.06 0.96 -0.05 0.00 0.00 175.22 175.83 2kc0 s ILE 79 N -3.30 0.75 0.55 -4.49 -5.25 -0.12 -1.26 121.20 108.09 2kc0 s ILE 79 Ca 0.01 -1.96 -0.01 0.00 -0.99 0.00 0.00 60.65 57.70 2kc0 s ILE 79 Cb 0.03 -1.76 0.02 0.00 2.95 0.00 0.00 42.46 43.71 2kc0 s ILE 79 CO -0.08 -0.81 0.79 -0.13 -1.79 0.00 0.00 174.94 172.92 2kc0 s ARG 80 N -3.83 2.70 -0.19 0.37 0.52 -0.93 -0.88 118.95 116.72 2kc0 s ARG 80 Ca 0.14 -0.52 -0.07 0.00 -0.52 0.00 0.00 55.73 54.76 2kc0 s ARG 80 Cb 0.05 -2.44 0.08 0.00 0.52 0.00 0.00 34.95 33.17 2kc0 s ARG 80 CO -0.03 -0.65 0.41 -1.14 0.02 0.00 0.00 175.30 173.91 2kc0 s GLN 81 N -4.80 0.33 0.04 3.54 -0.44 -0.57 -4.70 119.66 113.06 2kc0 s GLN 81 Ca 0.55 0.96 -0.20 0.00 -2.50 0.00 0.00 55.36 54.17 2kc0 s GLN 81 Cb -0.10 0.23 0.04 0.00 -1.64 0.00 0.00 33.01 31.53 2kc0 s GLN 81 CO 0.40 -0.23 0.45 -1.50 0.50 0.00 0.00 175.29 174.91 2kc0 s ILE 82 N 2.31 0.05 -0.15 -2.34 2.07 -1.25 -1.80 121.20 120.08 2kc0 s ILE 82 Ca -0.03 -0.38 -0.17 0.00 -1.41 0.00 0.00 60.65 58.66 2kc0 s ILE 82 Cb -0.11 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.49 2kc0 s ILE 82 CO -0.13 -0.21 0.45 -1.61 -1.91 0.00 0.00 174.94 171.54 2kc0 s GLU 83 N -2.37 4.28 -0.27 3.50 8.01 -1.26 -3.67 118.70 126.91 2kc0 s GLU 83 Ca -0.06 0.36 -0.03 0.00 0.01 0.00 0.00 54.97 55.26 2kc0 s GLU 83 Cb -0.01 -3.47 0.03 0.00 -4.31 0.00 0.00 34.13 26.37 2kc0 s GLU 83 CO -0.01 0.08 -0.01 0.08 0.01 0.00 0.00 175.26 175.40 2kc0 s VAL 84 N 0.90 3.16 -1.80 2.63 1.01 -0.06 -4.78 120.40 121.45 2kc0 s VAL 84 Ca 0.23 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2kc0 s VAL 84 Cb -0.15 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.57 2kc0 s VAL 84 CO 0.09 0.10 0.00 -0.67 0.00 0.00 0.00 175.10 174.62 2kc0 n ASP 85 N 4.70 -4.89 0.00 3.32 2.03 -1.26 -0.30 116.55 120.15 2kc0 n ASP 85 Ca -0.15 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2kc0 n ASP 85 Cb 0.46 -4.30 0.00 0.00 -0.72 0.00 0.00 41.12 36.57 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kc0 n GLY 86 N -0.52 0.43 3.29 0.27 0.00 -1.26 -5.08 105.19 102.31 2kc0 n GLY 86 Ca -0.19 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.36 1.15 -0.05 1.61 -1.52 0.59 -5.15 119.66 112.92 2kc0 s GLN 87 Ca 0.00 -1.31 0.05 0.00 -1.95 0.00 0.00 55.36 52.15 2kc0 s GLN 87 Cb 0.00 -1.13 -0.02 0.00 -0.22 0.00 0.00 33.01 31.64 2kc0 s GLN 87 CO 0.00 0.23 -0.20 -0.51 -0.25 0.00 0.00 175.29 174.56 2kc0 s LEU 88 N -2.53 2.41 -0.02 2.90 1.02 -1.26 -0.88 118.68 120.32 2kc0 s LEU 88 Ca 0.12 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 53.95 2kc0 s LEU 88 Cb -0.05 -1.46 -0.00 0.00 0.02 0.00 0.00 46.19 44.69 2kc0 s LEU 88 CO 0.05 0.31 -0.10 -0.63 0.02 0.00 0.00 176.35 175.99 2kc0 s ILE 89 N -0.51 0.84 -0.31 -0.59 1.01 -1.24 -5.02 121.20 115.37 2kc0 s ILE 89 Ca 0.07 -0.41 0.17 0.00 0.00 0.00 0.00 60.65 60.47 2kc0 s ILE 89 Cb -0.11 -0.73 0.45 0.00 0.01 0.00 0.00 42.46 42.08 2kc0 s ILE 89 CO 0.01 0.25 1.32 0.41 0.00 0.00 0.00 174.94 176.93 2kc0 n THR 90 N 3.13 0.56 -1.75 2.92 -1.04 -1.26 -3.82 114.28 113.01 2kc0 n THR 90 Ca -0.17 -1.93 0.03 0.00 -2.04 0.00 0.00 64.05 59.95 2kc0 n THR 90 Cb 0.55 1.09 0.05 0.00 -1.82 0.00 0.00 70.33 70.20 2kc0 n THR 90 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2kc0 n LEU 91 N -0.99 0.82 -4.64 -4.42 -0.00 -1.26 -4.94 117.00 101.57 2kc0 n LEU 91 Ca -0.05 -1.75 -0.37 0.00 -0.00 0.00 0.00 56.01 53.84 2kc0 n LEU 91 Cb 0.84 -0.14 -0.10 0.00 -0.00 0.00 0.00 43.42 44.03 2kc0 n LEU 91 CO -0.03 0.43 -0.14 -1.61 -0.00 0.00 0.00 177.39 176.04 2kc0 s GLU 92 N -0.93 4.05 0.10 1.96 8.01 -1.26 -3.59 118.70 127.05 2kc0 s GLU 92 Ca 0.12 -0.22 0.03 0.00 0.01 0.00 0.00 54.97 54.91 2kc0 s GLU 92 Cb 0.12 -3.57 -0.04 0.00 -4.31 0.00 0.00 34.13 26.32 2kc0 s GLU 92 CO -0.00 -0.02 -0.09 -1.54 0.01 0.00 0.00 175.26 173.61 2kc0 s SER 93 N 1.26 1.42 0.06 -0.19 1.04 -1.26 -2.18 113.70 113.84 2kc0 s SER 93 Ca 0.09 -0.86 -0.02 0.00 0.48 0.00 0.00 55.95 55.64 2kc0 s SER 93 Cb -0.14 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.01 2kc0 s SER 93 CO 0.07 -0.30 0.11 0.61 0.98 0.00 0.00 173.24 174.71 2kc0 n GLY 94 N 0.41 1.98 3.74 7.32 0.00 -0.39 -4.33 105.19 113.92 2kc0 n GLY 94 Ca -0.15 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.03 2.18 -0.24 1.61 2.02 -0.19 -1.32 118.70 120.72 2kc0 s GLU 95 Ca 0.03 -1.98 -0.02 0.00 0.02 0.00 0.00 54.97 53.01 2kc0 s GLU 95 Cb -0.01 -1.88 0.13 0.00 0.10 0.00 0.00 34.13 32.48 2kc0 s GLU 95 CO 0.02 -0.18 0.36 0.12 0.02 0.00 0.00 175.26 175.59 2kc0 s PHE 96 N -2.67 -0.75 -0.54 1.61 5.36 -0.80 -2.16 117.98 118.03 2kc0 s PHE 96 Ca 0.35 0.66 -0.14 0.00 -0.96 0.00 0.00 56.93 56.84 2kc0 s PHE 96 Cb 0.04 -0.07 0.13 0.00 -0.34 0.00 0.00 43.02 42.79 2kc0 s PHE 96 CO 0.19 -0.74 0.48 -1.14 -1.46 0.00 0.00 175.22 172.55 2kc0 s GLN 97 N 2.51 2.90 -0.42 10.12 0.74 -0.83 -2.20 119.66 132.48 2kc0 s GLN 97 Ca 0.12 -1.77 -0.12 0.00 0.05 0.00 0.00 55.36 53.63 2kc0 s GLN 97 Cb -0.15 -4.22 0.05 0.00 1.10 0.00 0.00 33.01 29.79 2kc0 s GLN 97 CO -0.17 -1.30 0.29 0.08 -0.55 0.00 0.00 175.29 173.64 2kc0 s VAL 98 N 1.46 4.79 0.20 1.34 1.01 -0.86 -3.04 120.40 125.30 2kc0 s VAL 98 Ca 0.04 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 2kc0 s VAL 98 Cb -0.28 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 2kc0 s VAL 98 CO 0.01 -0.41 1.03 -0.47 0.00 0.00 0.00 175.10 175.26 2kc0 s TYR 99 N 1.57 3.74 -0.23 5.22 6.14 -0.40 -0.61 117.35 132.77 2kc0 s TYR 99 Ca 0.03 1.74 -0.06 0.00 0.64 0.00 0.00 57.07 59.42 2kc0 s TYR 99 Cb -0.22 -3.15 -0.02 0.00 0.42 0.00 0.00 41.96 38.99 2kc0 s TYR 99 CO 0.06 -0.15 0.04 0.15 0.64 0.00 0.00 175.55 176.29 2kc0 s LYS 100 N -0.67 3.61 0.25 4.97 3.01 0.38 -3.15 119.74 128.15 2kc0 s LYS 100 Ca 0.46 -0.51 0.01 0.00 -1.01 0.00 0.00 55.97 54.92 2kc0 s LYS 100 Cb -0.28 -3.22 -0.05 0.00 -1.01 0.00 0.00 37.83 33.27 2kc0 s LYS 100 CO 0.34 -0.14 0.11 -1.14 0.51 0.00 0.00 175.35 175.03 2kc0 s GLN 101 N 1.43 1.40 -0.31 1.68 0.74 -0.12 -1.16 119.66 123.32 2kc0 s GLN 101 Ca 0.05 -1.76 -0.35 0.00 0.05 0.00 0.00 55.36 53.36 2kc0 s GLN 101 Cb -0.15 -0.18 -0.11 0.00 1.10 0.00 0.00 33.01 33.67 2kc0 s GLN 101 CO 0.02 -0.32 2.14 0.43 -0.55 0.00 0.00 175.29 177.01 2kc0 n SER 102 N -0.48 2.35 -2.53 6.67 7.64 -1.26 -2.47 113.62 123.54 2kc0 n SER 102 Ca 0.00 0.48 -0.05 0.00 1.01 0.00 0.00 58.87 60.32 2kc0 n SER 102 Cb 0.66 -1.29 -0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2kc0 n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kc0 n HIS 103 N 9.45 -1.81 -3.75 1.43 1.44 -1.26 -4.81 115.22 115.91 2kc0 n HIS 103 Ca 0.38 0.02 -0.13 0.00 -2.01 0.00 0.00 57.72 55.97 2kc0 n HIS 103 Cb 0.25 -1.55 -0.08 0.00 0.12 0.00 0.00 29.99 28.72 2kc0 n HIS 103 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2kc0 s SER 104 N -2.04 -0.21 -0.06 4.39 0.15 -1.03 -4.27 113.70 110.63 2kc0 s SER 104 Ca 0.02 0.10 -0.31 0.00 0.70 0.00 0.00 55.95 56.46 2kc0 s SER 104 Cb -0.01 0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.70 2kc0 s SER 104 CO 0.02 -0.47 0.69 0.00 1.20 0.00 0.00 173.24 174.69 2kc0 s ALA 105 N -1.39 -1.78 0.03 5.45 0.00 -0.76 -0.94 121.76 122.37 2kc0 s ALA 105 Ca -0.13 1.33 -0.06 0.00 0.00 0.00 0.00 51.96 53.11 2kc0 s ALA 105 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2kc0 s ALA 105 CO 0.04 -0.37 0.11 -0.48 0.00 0.00 0.00 175.76 175.06 2kc0 s LEU 106 N -1.18 1.74 0.24 0.00 0.05 -1.19 -1.17 118.68 117.18 2kc0 s LEU 106 Ca -0.11 -0.48 0.10 0.00 0.05 0.00 0.00 54.13 53.69 2kc0 s LEU 106 Cb -0.00 0.63 -0.04 0.00 -2.05 0.00 0.00 46.19 44.73 2kc0 s LEU 106 CO 0.10 -0.49 -0.06 0.28 -0.55 0.00 0.00 176.35 175.62 2kc0 s THR 107 N -2.45 3.24 -0.01 5.48 -1.32 -1.19 -1.28 115.64 118.10 2kc0 s THR 107 Ca -0.06 -1.91 -0.04 0.00 -1.21 0.00 0.00 61.69 58.47 2kc0 s THR 107 Cb -0.02 -2.69 0.00 0.00 -1.51 0.00 0.00 72.50 68.28 2kc0 s THR 107 CO -0.04 -0.30 0.09 0.00 -2.21 0.00 0.00 174.62 172.16 2kc0 s ALA 108 N -2.17 -0.21 0.16 11.08 0.00 -1.17 -1.39 121.76 128.06 2kc0 s ALA 108 Ca 0.29 -0.03 -0.08 0.00 0.00 0.00 0.00 51.96 52.14 2kc0 s ALA 108 Cb -0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 2kc0 s ALA 108 CO 0.18 -0.13 0.45 -0.06 0.00 0.00 0.00 175.76 176.20 2kc0 s PHE 109 N -0.75 3.48 -0.01 0.00 0.40 0.01 -1.96 117.98 119.15 2kc0 s PHE 109 Ca -0.08 0.73 0.02 0.00 -0.60 0.00 0.00 56.93 56.99 2kc0 s PHE 109 Cb -0.05 -2.14 0.00 0.00 0.51 0.00 0.00 43.02 41.34 2kc0 s PHE 109 CO 0.00 0.39 -0.05 -0.65 0.70 0.00 0.00 175.22 175.62 2kc0 s GLN 110 N -2.55 0.47 0.02 0.44 1.11 -0.92 -2.79 119.66 115.44 2kc0 s GLN 110 Ca 0.42 -0.16 -0.12 0.00 0.01 0.00 0.00 55.36 55.50 2kc0 s GLN 110 Cb -0.12 -0.47 0.01 0.00 -1.01 0.00 0.00 33.01 31.42 2kc0 s GLN 110 CO 0.22 0.08 0.25 -0.08 0.01 0.00 0.00 175.29 175.77 2kc0 s THR 111 N 0.06 0.08 0.00 -0.19 -1.32 -0.96 -1.02 115.64 112.29 2kc0 s THR 111 Ca -0.00 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 2kc0 s THR 111 Cb -0.04 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 2kc0 s THR 111 CO -0.00 -0.37 0.00 -0.62 -2.21 0.00 0.00 174.62 171.42 2kc0 n GLU 112 N 0.99 0.00 -4.16 7.08 -0.58 -1.26 -1.08 120.64 121.63 2kc0 n GLU 112 Ca -0.20 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.19 2kc0 n GLU 112 Cb 0.57 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.30 2kc0 n GLU 112 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2kc0 s GLN 113 N -0.01 3.39 0.15 3.49 0.74 -1.26 -0.66 119.66 125.50 2kc0 s GLN 113 Ca 0.00 -0.64 -0.08 0.00 0.05 0.00 0.00 55.36 54.69 2kc0 s GLN 113 Cb 0.00 -2.89 -0.01 0.00 1.10 0.00 0.00 33.01 31.20 2kc0 s GLN 113 CO 0.00 -0.06 0.24 0.96 -0.55 0.00 0.00 175.29 175.88 2kc0 s ILE 114 N 1.11 0.08 0.16 -2.34 -0.00 -0.62 -4.44 121.20 115.15 2kc0 s ILE 114 Ca 0.01 -1.45 -0.30 0.00 -0.00 0.00 0.00 60.65 58.91 2kc0 s ILE 114 Cb -0.15 -1.83 -0.08 0.00 -0.00 0.00 0.00 42.46 40.40 2kc0 s ILE 114 CO -0.01 -0.35 1.31 -1.58 -0.00 0.00 0.00 174.94 174.31 2kc0 s GLN 115 N -3.97 4.39 -0.03 0.37 -0.44 -1.24 -1.48 119.66 117.26 2kc0 s GLN 115 Ca 0.17 2.01 0.01 0.00 -2.50 0.00 0.00 55.36 55.05 2kc0 s GLN 115 Cb 0.04 -3.23 -0.03 0.00 -1.64 0.00 0.00 33.01 28.15 2kc0 s GLN 115 CO -0.01 -0.28 -0.01 0.34 0.50 0.00 0.00 175.29 175.83 2kc0 s ASP 116 N 0.59 5.08 0.14 6.67 -1.08 0.82 -4.91 116.67 123.99 2kc0 s ASP 116 Ca 0.59 0.02 0.24 0.00 -0.52 0.00 0.00 52.55 52.87 2kc0 s ASP 116 Cb -0.35 -1.34 0.21 0.00 -1.46 0.00 0.00 42.92 39.98 2kc0 s ASP 116 CO 0.35 0.31 1.22 0.28 0.52 0.00 0.00 175.17 177.85 2kc0 h SER 117 N 4.62 0.00 -0.58 -0.34 0.02 -1.96 -3.01 113.55 112.31 2kc0 h SER 117 Ca -0.49 -0.17 0.12 0.00 -0.84 0.00 0.00 61.79 60.41 2kc0 h SER 117 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 2kc0 h SER 117 CO 0.56 0.08 0.40 1.05 -1.14 0.00 0.00 176.83 177.78 2kc0 h GLU 118 N 0.00 0.24 0.00 3.45 4.11 -1.96 -1.34 114.58 119.08 2kc0 h GLU 118 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2kc0 h GLU 118 Cb 0.82 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2kc0 h GLU 118 CO 0.00 0.16 -0.12 1.58 0.07 0.00 0.00 179.01 180.70 2kc0 n HIS 119 N -4.44 0.00 -3.96 2.06 -0.00 -1.26 -5.05 115.22 102.56 2kc0 n HIS 119 Ca 0.10 -0.50 -0.32 0.00 -0.00 0.00 0.00 57.72 57.00 2kc0 n HIS 119 Cb 0.47 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2kc0 n HIS 119 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2kc0 n SER 120 N -0.68 -2.27 0.00 0.26 3.41 -0.51 -4.42 113.62 109.42 2kc0 n SER 120 Ca 0.06 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 2kc0 n SER 120 Cb 0.55 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.83 0.00 3.68 5.00 0.00 -1.13 -5.02 105.19 105.88 2kc0 n GLY 121 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2kc0 n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kc0 s LYS 122 N 0.00 2.13 0.10 1.61 1.02 -1.25 -5.02 119.74 118.33 2kc0 s LYS 122 Ca 0.00 -2.35 0.02 0.00 0.02 0.00 0.00 55.97 53.66 2kc0 s LYS 122 Cb 0.00 -1.14 -0.04 0.00 -0.52 0.00 0.00 37.83 36.13 2kc0 s LYS 122 CO 0.00 -0.45 -0.07 0.00 -0.92 0.00 0.00 175.35 173.91 2kc0 s MET 123 N -3.80 0.84 0.06 1.68 0.23 -1.26 -0.13 119.30 116.92 2kc0 s MET 123 Ca 0.10 -1.30 -0.01 0.00 -1.03 0.00 0.00 55.69 53.45 2kc0 s MET 123 Cb 0.01 -0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.00 2kc0 s MET 123 CO 0.07 0.00 -0.03 0.14 -2.03 0.00 0.00 175.02 173.17 2kc0 s VAL 124 N -3.41 0.25 -0.22 5.16 -7.23 -0.55 -4.89 120.40 109.52 2kc0 s VAL 124 Ca 0.11 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 2kc0 s VAL 124 Cb 0.04 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.46 2kc0 s VAL 124 CO -0.04 -0.95 -0.11 0.00 -0.31 0.00 0.00 175.10 173.69 2kc0 s ALA 125 N -3.90 2.24 -0.21 1.32 0.00 -1.26 -1.59 121.76 118.36 2kc0 s ALA 125 Ca 0.09 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 50.60 2kc0 s ALA 125 Cb 0.08 -1.40 0.06 0.00 0.00 0.00 0.00 23.12 21.86 2kc0 s ALA 125 CO -0.09 -0.94 0.03 -1.59 0.00 0.00 0.00 175.76 173.17 2kc0 s LYS 126 N 1.28 0.77 -0.28 0.00 0.00 0.17 -4.97 119.74 116.71 2kc0 s LYS 126 Ca -0.04 -0.55 -0.29 0.00 0.00 0.00 0.00 55.97 55.09 2kc0 s LYS 126 Cb -0.17 -2.15 -0.33 0.00 0.00 0.00 0.00 37.83 35.17 2kc0 s LYS 126 CO -0.07 -0.67 1.72 2.89 0.00 0.00 0.00 175.35 179.21 2kc0 n ARG 127 N 4.99 0.17 -3.77 1.78 1.85 -1.26 -4.14 116.66 116.28 2kc0 n ARG 127 Ca -0.09 -1.23 -0.37 0.00 -1.00 0.00 0.00 57.85 55.17 2kc0 n ARG 127 Cb 0.46 -2.82 -0.12 0.00 -1.05 0.00 0.00 32.46 28.93 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 7.11 2.30 0.60 2.89 -0.44 -0.24 -4.97 119.66 126.91 2kc0 s GLN 128 Ca 0.70 -1.53 -0.13 0.00 -2.50 0.00 0.00 55.36 51.90 2kc0 s GLN 128 Cb 0.11 -3.51 -0.04 0.00 -1.64 0.00 0.00 33.01 27.93 2kc0 s GLN 128 CO 0.30 -0.89 1.02 -0.06 0.50 0.00 0.00 175.29 176.16 2kc0 s PHE 129 N 1.26 3.47 0.04 1.67 0.40 -1.26 -2.28 117.98 121.28 2kc0 s PHE 129 Ca 0.03 1.37 -0.21 0.00 -0.60 0.00 0.00 56.93 57.52 2kc0 s PHE 129 Cb -0.22 -2.78 0.05 0.00 0.51 0.00 0.00 43.02 40.58 2kc0 s PHE 129 CO -0.01 -0.70 0.48 0.50 0.70 0.00 0.00 175.22 176.18 2kc0 s ARG 130 N -4.79 0.98 0.53 0.44 6.06 -1.12 -4.90 118.95 116.16 2kc0 s ARG 130 Ca 0.57 -0.27 -0.14 0.00 -2.50 0.00 0.00 55.73 53.39 2kc0 s ARG 130 Cb -0.11 0.44 -0.07 0.00 0.06 0.00 0.00 34.95 35.27 2kc0 s ARG 130 CO 0.47 -0.34 0.97 -1.50 -2.50 0.00 0.00 175.30 172.39 2kc0 s ILE 131 N -2.39 4.62 0.39 4.11 1.10 -1.26 -0.81 121.20 126.96 2kc0 s ILE 131 Ca -0.06 1.03 0.01 0.00 -0.51 0.00 0.00 60.65 61.12 2kc0 s ILE 131 Cb -0.01 -3.77 0.01 0.00 0.15 0.00 0.00 42.46 38.85 2kc0 s ILE 131 CO -0.01 -0.80 0.12 0.61 -2.11 0.00 0.00 174.94 172.75 2kc0 n GLY 132 N -1.89 3.36 3.91 1.50 0.00 -0.49 -4.69 105.19 106.89 2kc0 n GLY 132 Ca 0.06 -2.30 -0.27 0.00 0.00 0.00 0.00 46.02 43.50 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 -3.19 5.82 -0.18 1.61 1.01 -1.26 -4.72 116.67 115.76 2kc0 s ASP 133 Ca 0.09 0.82 -0.05 0.00 0.71 0.00 0.00 52.55 54.13 2kc0 s ASP 133 Cb -0.01 -1.91 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 2kc0 s ASP 133 CO 0.06 -0.92 -0.01 -0.63 0.21 0.00 0.00 175.17 173.88 2kc0 s ILE 134 N -2.93 4.01 -0.07 0.77 -1.09 -1.26 -3.19 121.20 117.44 2kc0 s ILE 134 Ca 0.52 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.66 2kc0 s ILE 134 Cb -0.10 -2.79 -0.02 0.00 -1.58 0.00 0.00 42.46 37.97 2kc0 s ILE 134 CO 0.46 0.46 -0.14 0.00 -1.23 0.00 0.00 174.94 174.49 2kc0 s ALA 135 N 0.63 2.64 0.00 9.38 0.00 -0.32 -5.03 121.76 129.07 2kc0 s ALA 135 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2kc0 s ALA 135 Cb -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2kc0 s ALA 135 CO 0.02 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.66 2kc0 n GLY 136 N 2.64 3.03 3.67 0.00 0.00 -1.26 -1.83 105.19 111.44 2kc0 n GLY 136 Ca -0.17 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.61 4.28 0.03 1.61 2.02 -1.26 -5.00 118.70 118.77 2kc0 s GLU 137 Ca 0.00 1.69 -0.30 0.00 0.02 0.00 0.00 54.97 56.37 2kc0 s GLU 137 Cb 0.00 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 2kc0 s GLU 137 CO 0.00 -0.60 1.03 -1.01 0.02 0.00 0.00 175.26 174.70 2kc0 s HIS 138 N 2.96 3.62 -0.23 1.61 3.76 -1.26 -2.96 115.29 122.80 2kc0 s HIS 138 Ca 0.56 1.62 -0.11 0.00 -0.15 0.00 0.00 55.06 56.98 2kc0 s HIS 138 Cb -0.23 -3.18 -0.05 0.00 1.11 0.00 0.00 32.58 30.23 2kc0 s HIS 138 CO 0.18 -0.27 0.19 0.99 -0.85 0.00 0.00 174.74 174.98 2kc0 s THR 139 N 0.91 5.35 -0.09 1.30 2.01 -1.15 -4.80 115.64 119.17 2kc0 s THR 139 Ca 0.53 0.26 -0.33 0.00 0.31 0.00 0.00 61.69 62.46 2kc0 s THR 139 Cb -0.23 -3.53 -0.11 0.00 0.01 0.00 0.00 72.50 68.64 2kc0 s THR 139 CO 0.29 0.35 1.95 -1.20 -0.69 0.00 0.00 174.62 175.32 2kc0 n SER 140 N 4.16 3.52 0.20 3.53 7.64 -1.18 -4.44 113.62 127.05 2kc0 n SER 140 Ca -0.14 0.86 0.07 0.00 1.01 0.00 0.00 58.87 60.68 2kc0 n SER 140 Cb 0.52 -1.41 0.38 0.00 -1.01 0.00 0.00 64.21 62.68 2kc0 n SER 140 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2kc0 h PHE 141 N 10.19 0.00 0.00 1.43 -5.15 -1.89 -3.20 116.94 118.32 2kc0 h PHE 141 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 2kc0 h PHE 141 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.44 2kc0 h PHE 141 CO 0.91 0.31 0.00 -3.47 -2.00 0.00 0.00 178.31 174.06 2kc0 n ASP 142 N -3.46 0.05 -0.09 -0.68 2.03 -1.26 -2.01 116.55 111.14 2kc0 n ASP 142 Ca 0.00 -1.20 0.01 0.00 0.52 0.00 0.00 54.79 54.13 2kc0 n ASP 142 Cb 0.48 -0.03 0.01 0.00 -0.72 0.00 0.00 41.12 40.87 2kc0 n ASP 142 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kc0 n LYS 143 N -0.44 -0.09 -4.30 -0.67 4.76 -1.21 -5.02 118.16 111.18 2kc0 n LYS 143 Ca 0.00 -0.79 -0.25 0.00 -2.87 0.00 0.00 58.31 54.40 2kc0 n LYS 143 Cb 0.01 -1.04 -0.13 0.00 -1.84 0.00 0.00 35.03 32.04 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 -0.31 2.31 0.49 -0.35 1.43 -0.85 -5.11 118.68 116.29 2kc0 s LEU 144 Ca 0.03 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.21 2kc0 s LEU 144 Cb 0.02 -0.94 -0.06 0.00 0.03 0.00 0.00 46.19 45.23 2kc0 s LEU 144 CO 0.03 0.08 1.20 -2.16 0.23 0.00 0.00 176.35 175.73 2kc0 s PRO 145 N -1.95 3.55 -0.40 1.29 0.04 -1.26 -4.92 135.00 131.34 2kc0 s PRO 145 Ca 0.08 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2kc0 s PRO 145 Cb -0.10 -2.31 0.22 0.00 0.04 0.00 0.00 34.50 32.35 2kc0 s PRO 145 CO 0.05 -0.75 2.16 -1.91 0.04 0.00 0.00 177.00 176.59 2kc0 n GLU 146 N -0.74 2.05 -3.55 4.56 2.13 -1.26 -4.82 120.64 119.00 2kc0 n GLU 146 Ca 0.09 -1.97 -0.12 0.00 0.66 0.00 0.00 57.16 55.81 2kc0 n GLU 146 Cb 0.48 -1.81 -0.05 0.00 0.27 0.00 0.00 31.44 30.33 2kc0 n GLU 146 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2kc0 s GLY 147 N -0.08 -0.37 0.00 8.31 0.00 -1.15 -4.06 107.32 109.96 2kc0 s GLY 147 Ca 0.41 1.73 0.00 0.00 0.00 0.00 0.00 44.72 46.86 2kc0 s GLY 147 CO -0.05 0.93 0.00 0.61 0.00 0.00 0.00 173.10 174.59 2kc0 n GLY 148 N 0.67 1.29 2.91 0.20 0.00 -1.26 -4.44 105.19 104.55 2kc0 n GLY 148 Ca -0.12 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.56 2kc0 n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kc0 s ARG 149 N -1.40 0.23 -0.23 1.61 1.70 -1.26 -0.56 118.95 119.04 2kc0 s ARG 149 Ca 0.00 -0.09 0.02 0.00 -0.47 0.00 0.00 55.73 55.19 2kc0 s ARG 149 Cb 0.00 -0.24 0.05 0.00 -0.57 0.00 0.00 34.95 34.19 2kc0 s ARG 149 CO 0.00 0.05 -0.11 0.00 -1.08 0.00 0.00 175.30 174.15 2kc0 s ALA 150 N 0.01 2.32 0.25 7.88 0.00 -0.28 -4.93 121.76 127.01 2kc0 s ALA 150 Ca 0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 2kc0 s ALA 150 Cb -0.02 -1.43 -0.09 0.00 0.00 0.00 0.00 23.12 21.58 2kc0 s ALA 150 CO -0.00 -0.98 1.20 0.99 0.00 0.00 0.00 175.76 176.97 2kc0 s THR 151 N 1.24 3.30 0.02 0.00 2.01 -1.26 -2.03 115.64 118.92 2kc0 s THR 151 Ca -0.05 1.20 0.01 0.00 0.31 0.00 0.00 61.69 63.17 2kc0 s THR 151 Cb -0.18 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2kc0 s THR 151 CO -0.07 0.24 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.74 2kc0 s TYR 152 N -0.64 0.42 -0.45 4.92 2.02 -0.38 -4.42 117.35 118.82 2kc0 s TYR 152 Ca 0.50 -0.28 -0.11 0.00 -0.37 0.00 0.00 57.07 56.81 2kc0 s TYR 152 Cb -0.35 -0.27 0.08 0.00 -0.40 0.00 0.00 41.96 41.03 2kc0 s TYR 152 CO 0.42 -0.06 0.32 0.50 -1.57 0.00 0.00 175.55 175.16 2kc0 s ARG 153 N -0.79 2.72 0.32 -0.62 3.00 0.04 -1.97 118.95 121.65 2kc0 s ARG 153 Ca -0.05 -1.48 -0.05 0.00 -1.00 0.00 0.00 55.73 53.15 2kc0 s ARG 153 Cb -0.06 -3.93 -0.05 0.00 0.00 0.00 0.00 34.95 30.92 2kc0 s ARG 153 CO -0.00 -1.03 0.60 0.20 0.00 0.00 0.00 175.30 175.07 2kc0 s GLY 154 N 2.41 1.80 -0.05 8.12 0.00 -0.97 -2.87 107.32 115.75 2kc0 s GLY 154 Ca 0.04 -0.54 0.06 0.00 0.00 0.00 0.00 44.72 44.27 2kc0 s GLY 154 CO 0.03 -0.42 -0.23 -1.59 0.00 0.00 0.00 173.10 170.89 2kc0 s THR 155 N -2.19 2.27 -0.18 0.90 2.01 0.06 -3.36 115.64 115.15 2kc0 s THR 155 Ca 0.45 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2kc0 s THR 155 Cb -0.10 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.58 2kc0 s THR 155 CO 0.32 0.57 -0.17 0.00 -0.69 0.00 0.00 174.62 174.65 2kc0 s ALA 156 N -0.29 2.43 -0.18 7.40 0.00 -0.38 -3.41 121.76 127.32 2kc0 s ALA 156 Ca 0.01 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2kc0 s ALA 156 Cb -0.13 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.76 2kc0 s ALA 156 CO 0.02 -0.31 -0.12 -0.59 0.00 0.00 0.00 175.76 174.76 2kc0 s PHE 157 N 1.24 2.34 0.07 0.00 -0.71 -1.20 -3.72 117.98 116.00 2kc0 s PHE 157 Ca 0.03 -1.45 -0.28 0.00 -1.04 0.00 0.00 56.93 54.19 2kc0 s PHE 157 Cb -0.14 -1.64 0.09 0.00 -1.21 0.00 0.00 43.02 40.13 2kc0 s PHE 157 CO -0.09 -0.72 1.11 0.20 -1.34 0.00 0.00 175.22 174.38 2kc0 s GLY 158 N 1.42 -0.32 0.00 1.99 0.00 -1.26 -1.74 107.32 107.41 2kc0 s GLY 158 Ca 0.01 0.41 0.07 0.00 0.00 0.00 0.00 44.72 45.22 2kc0 s GLY 158 CO -0.09 0.07 1.16 -1.26 0.00 0.00 0.00 173.10 172.97 2kc0 n SER 159 N -0.47 0.00 -0.01 1.64 2.88 -1.26 -1.98 113.62 114.42 2kc0 n SER 159 Ca -0.07 0.35 -0.17 0.00 -1.33 0.00 0.00 58.87 57.64 2kc0 n SER 159 Cb 0.62 -0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 63.54 2kc0 n SER 159 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2kc0 h ASP 160 N 0.00 0.25 0.00 -3.46 3.32 -1.97 -3.46 116.42 111.10 2kc0 h ASP 160 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 57.03 56.07 2kc0 h ASP 160 Cb 0.10 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2kc0 h ASP 160 CO 0.00 1.21 -0.12 -0.90 -1.72 0.00 0.00 179.24 177.71 2kc0 n ASP 161 N -4.35 0.61 -1.96 6.45 5.75 -1.18 -5.04 116.55 116.83 2kc0 n ASP 161 Ca -0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.56 2kc0 n ASP 161 Cb 0.66 0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.79 2kc0 n ASP 161 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kc0 n ALA 162 N -0.68 -0.53 -0.33 2.12 0.00 -0.84 -4.78 120.51 115.47 2kc0 n ALA 162 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2kc0 n ALA 162 Cb 0.06 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.51 0.45 3.67 0.00 0.00 -1.26 -4.94 105.19 102.60 2kc0 n GLY 163 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.18 1.45 0.05 -0.02 0.00 -1.24 -4.92 107.32 102.46 2kc0 s GLY 164 Ca 0.00 1.27 0.07 0.00 0.00 0.00 0.00 44.72 46.07 2kc0 s GLY 164 CO 0.00 3.22 -0.18 0.54 0.00 0.00 0.00 173.10 176.68 2kc0 s LYS 165 N 3.64 2.06 0.05 2.90 3.01 -1.26 -1.25 119.74 128.89 2kc0 s LYS 165 Ca 0.82 -1.00 -0.08 0.00 -1.01 0.00 0.00 55.97 54.70 2kc0 s LYS 165 Cb -0.41 -2.19 -0.00 0.00 -1.01 0.00 0.00 37.83 34.21 2kc0 s LYS 165 CO 0.37 0.53 0.17 -0.48 0.51 0.00 0.00 175.35 176.45 2kc0 s LEU 166 N -1.53 1.48 -0.16 3.17 -0.00 -1.21 -3.74 118.68 116.69 2kc0 s LEU 166 Ca 0.15 -0.48 -0.09 0.00 -0.00 0.00 0.00 54.13 53.71 2kc0 s LEU 166 Cb -0.11 0.91 -0.05 0.00 -0.00 0.00 0.00 46.19 46.94 2kc0 s LEU 166 CO 0.06 -0.60 0.16 -0.89 -0.00 0.00 0.00 176.35 175.08 2kc0 s THR 167 N -2.95 5.43 0.04 5.48 2.01 -1.02 -2.29 115.64 122.34 2kc0 s THR 167 Ca -0.02 0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.31 2kc0 s THR 167 Cb 0.01 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2kc0 s THR 167 CO -0.06 0.52 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.89 2kc0 s TYR 168 N -0.27 2.55 -0.07 4.92 1.51 -0.83 -2.90 117.35 122.26 2kc0 s TYR 168 Ca 0.12 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.79 2kc0 s TYR 168 Cb -0.12 -1.45 0.03 0.00 -0.11 0.00 0.00 41.96 40.31 2kc0 s TYR 168 CO 0.02 0.25 0.33 -0.08 -1.11 0.00 0.00 175.55 174.96 2kc0 s THR 169 N -0.93 0.03 -0.14 -0.71 -1.32 -1.19 -1.25 115.64 110.13 2kc0 s THR 169 Ca 0.15 -0.25 -0.01 0.00 -1.21 0.00 0.00 61.69 60.37 2kc0 s THR 169 Cb -0.10 -0.55 0.04 0.00 -1.51 0.00 0.00 72.50 70.37 2kc0 s THR 169 CO 0.05 -0.13 -0.04 -0.51 -2.21 0.00 0.00 174.62 171.78 2kc0 s ILE 170 N -0.60 0.90 -0.59 5.08 2.07 -0.86 -1.71 121.20 125.49 2kc0 s ILE 170 Ca -0.07 -0.43 -0.27 0.00 -1.41 0.00 0.00 60.65 58.47 2kc0 s ILE 170 Cb -0.04 -1.09 -0.01 0.00 0.13 0.00 0.00 42.46 41.46 2kc0 s ILE 170 CO 0.02 0.16 1.73 -1.81 -1.91 0.00 0.00 174.94 173.13 2kc0 s ASP 171 N 1.73 5.56 0.59 4.50 1.11 -0.98 -1.12 116.67 128.05 2kc0 s ASP 171 Ca 0.02 0.34 0.29 0.00 0.18 0.00 0.00 52.55 53.38 2kc0 s ASP 171 Cb -0.14 -2.53 1.73 0.00 1.07 0.00 0.00 42.92 43.05 2kc0 s ASP 171 CO -0.07 -2.15 2.18 -0.26 1.18 0.00 0.00 175.17 176.04 2kc0 h PHE 172 N 13.64 0.00 0.00 4.23 -1.00 -1.11 0.16 116.94 132.86 2kc0 h PHE 172 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 2kc0 h PHE 172 Cb 1.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.70 2kc0 h PHE 172 CO 1.04 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 177.74 2kc0 n ALA 173 N -2.33 1.32 -0.41 2.45 0.00 -1.03 -2.93 120.51 117.58 2kc0 n ALA 173 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kc0 n ALA 173 Cb 0.19 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.50 0.12 -1.40 0.00 0.00 -0.16 -4.86 120.51 112.71 2kc0 n ALA 174 Ca 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2kc0 n ALA 174 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 2kc0 n ALA 174 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kc0 n LYS 175 N -0.03 -1.57 -3.50 0.00 4.01 0.39 -4.90 118.16 112.55 2kc0 n LYS 175 Ca 0.00 0.97 -0.40 0.00 -0.51 0.00 0.00 58.31 58.37 2kc0 n LYS 175 Cb 0.10 -5.33 -0.10 0.00 -0.51 0.00 0.00 35.03 29.19 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2kc0 s GLN 176 N -3.19 3.66 -0.25 1.97 -0.21 -1.12 -3.77 119.66 116.74 2kc0 s GLN 176 Ca 0.00 -0.46 -0.08 0.00 0.02 0.00 0.00 55.36 54.84 2kc0 s GLN 176 Cb 0.00 -3.76 -0.03 0.00 1.00 0.00 0.00 33.01 30.21 2kc0 s GLN 176 CO 0.00 -0.39 0.10 0.20 -2.12 0.00 0.00 175.29 173.08 2kc0 s GLY 177 N 1.73 1.81 0.50 3.09 0.00 0.43 -2.32 107.32 112.56 2kc0 s GLY 177 Ca 0.08 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.72 2kc0 s GLY 177 CO 0.11 0.55 0.06 0.21 0.00 0.00 0.00 173.10 174.03 2kc0 s ASN 178 N 1.60 4.19 0.17 1.64 3.84 -0.69 -1.88 114.94 123.80 2kc0 s ASN 178 Ca 0.06 -1.55 -0.12 0.00 0.21 0.00 0.00 52.86 51.46 2kc0 s ASN 178 Cb -0.15 0.38 0.05 0.00 -0.55 0.00 0.00 41.25 40.97 2kc0 s ASN 178 CO 0.05 -0.84 0.62 0.61 -2.79 0.00 0.00 177.10 174.75 2kc0 n GLY 179 N -1.30 1.02 3.63 1.21 0.00 -1.26 -3.14 105.19 105.35 2kc0 n GLY 179 Ca -0.15 -1.10 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 2kc0 n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc0 s LYS 180 N -2.04 0.33 0.04 1.61 -2.85 -1.14 -2.61 119.74 113.07 2kc0 s LYS 180 Ca 0.13 0.29 0.04 0.00 -1.00 0.00 0.00 55.97 55.43 2kc0 s LYS 180 Cb -0.02 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 2kc0 s LYS 180 CO 0.05 -0.06 -0.05 0.42 0.10 0.00 0.00 175.35 175.81 2kc0 s ILE 181 N -0.19 3.76 -0.28 3.79 -1.09 -0.25 -2.43 121.20 124.50 2kc0 s ILE 181 Ca 0.04 -0.87 0.16 0.00 -2.23 0.00 0.00 60.65 57.76 2kc0 s ILE 181 Cb -0.04 -2.69 0.42 0.00 -1.58 0.00 0.00 42.46 38.57 2kc0 s ILE 181 CO -0.08 0.29 1.36 1.21 -1.23 0.00 0.00 174.94 176.49 2kc0 n GLU 182 N 1.19 1.38 -0.49 2.79 2.13 -1.25 -3.94 120.64 122.46 2kc0 n GLU 182 Ca -0.14 -2.02 0.07 0.00 0.66 0.00 0.00 57.16 55.73 2kc0 n GLU 182 Cb 0.52 -0.29 0.19 0.00 0.27 0.00 0.00 31.44 32.13 2kc0 n GLU 182 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kc0 n HIS 183 N -1.08 0.00 -4.13 4.31 8.25 -1.26 -5.01 115.22 116.29 2kc0 n HIS 183 Ca -0.09 -1.34 -0.22 0.00 -0.26 0.00 0.00 57.72 55.81 2kc0 n HIS 183 Cb 0.85 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.69 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 -3.04 3.64 0.51 2.41 2.01 -1.26 -4.66 118.68 118.28 2kc0 s LEU 184 Ca 0.36 -0.38 0.20 0.00 0.01 0.00 0.00 54.13 54.33 2kc0 s LEU 184 Cb 0.34 -2.17 1.28 0.00 0.01 0.00 0.00 46.19 45.65 2kc0 s LEU 184 CO -0.05 -0.06 2.03 0.07 1.01 0.00 0.00 176.35 179.35 2kc0 h LYS 185 N 1.56 0.09 -5.63 1.70 2.10 -1.98 -3.42 116.57 110.99 2kc0 h LYS 185 Ca -0.47 -0.01 -0.48 0.00 -2.00 0.00 0.00 60.65 57.69 2kc0 h LYS 185 Cb 1.24 -0.02 -0.24 0.00 -0.90 0.00 0.00 32.23 32.32 2kc0 h LYS 185 CO 0.61 0.06 -0.81 -1.12 -2.00 0.00 0.00 179.45 176.19 2kc0 s SER 186 N -6.45 1.98 0.35 7.07 0.01 -1.26 -5.06 113.70 110.34 2kc0 s SER 186 Ca -0.06 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 56.72 2kc0 s SER 186 Cb 0.19 -0.12 0.66 0.00 0.21 0.00 0.00 66.02 66.96 2kc0 s SER 186 CO 0.72 0.04 1.89 1.55 0.41 0.00 0.00 173.24 177.85 2kc0 h PRO 187 N 4.62 0.45 0.00 12.44 0.13 -1.97 -2.45 132.00 145.22 2kc0 h PRO 187 Ca -0.41 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kc0 h PRO 187 Cb 1.18 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2kc0 h PRO 187 CO 0.42 0.50 0.14 1.49 -0.23 0.00 0.00 178.00 180.32 2kc0 h GLU 188 N 0.43 0.00 0.00 0.86 4.81 -1.97 -1.74 114.58 116.97 2kc0 h GLU 188 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2kc0 h GLU 188 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2kc0 h GLU 188 CO 0.01 0.00 -1.22 1.28 -0.73 0.00 0.00 179.01 178.36 2kc0 n LEU 189 N -2.82 0.58 -4.73 1.64 4.77 -0.92 -4.04 117.00 111.47 2kc0 n LEU 189 Ca -0.02 -0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.42 2kc0 n LEU 189 Cb 0.19 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2kc0 n LEU 189 CO 0.15 0.08 0.82 0.20 -1.33 0.00 0.00 177.39 177.31 2kc0 s ASN 190 N -3.84 7.21 0.15 -1.43 0.02 -0.66 -4.59 114.94 111.80 2kc0 s ASN 190 Ca 0.02 2.09 0.05 0.00 -1.02 0.00 0.00 52.86 54.00 2kc0 s ASN 190 Cb 0.15 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.77 2kc0 s ASN 190 CO 0.84 -0.29 -0.11 0.68 0.02 0.00 0.00 177.10 178.24 2kc0 s VAL 191 N 0.05 1.24 0.33 1.60 -7.23 -1.25 -4.79 120.40 110.36 2kc0 s VAL 191 Ca 0.52 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2kc0 s VAL 191 Cb -0.30 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2kc0 s VAL 191 CO 0.34 -0.69 0.55 -1.81 -0.31 0.00 0.00 175.10 173.19 2kc0 s ASP 192 N -3.08 6.33 -0.03 4.85 1.01 -1.26 -1.09 116.67 123.40 2kc0 s ASP 192 Ca 0.16 0.54 -0.02 0.00 0.71 0.00 0.00 52.55 53.93 2kc0 s ASP 192 Cb 0.01 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 2kc0 s ASP 192 CO 0.02 -0.27 0.12 -0.76 0.21 0.00 0.00 175.17 174.48 2kc0 s LEU 193 N -4.11 4.13 -0.53 1.23 1.02 -1.07 -3.79 118.68 115.56 2kc0 s LEU 193 Ca 0.41 0.27 -0.29 0.00 0.02 0.00 0.00 54.13 54.55 2kc0 s LEU 193 Cb -0.10 -2.34 0.03 0.00 0.02 0.00 0.00 46.19 43.80 2kc0 s LEU 193 CO 0.35 0.30 1.17 0.00 0.02 0.00 0.00 176.35 178.19 2kc0 s ALA 194 N -1.20 3.07 -0.16 4.21 0.00 -0.49 -4.38 121.76 122.81 2kc0 s ALA 194 Ca 0.23 -0.66 -0.40 0.00 0.00 0.00 0.00 51.96 51.13 2kc0 s ALA 194 Cb -0.12 -3.97 -0.17 0.00 0.00 0.00 0.00 23.12 18.86 2kc0 s ALA 194 CO 0.13 -2.48 1.53 0.00 0.00 0.00 0.00 175.76 174.95 2kc0 n ALA 195 N 8.17 -0.93 -2.52 0.00 0.00 -1.26 -3.91 120.51 120.06 2kc0 n ALA 195 Ca 0.10 0.46 -0.24 0.00 0.00 0.00 0.00 53.44 53.77 2kc0 n ALA 195 Cb 0.49 -2.09 -0.15 0.00 0.00 0.00 0.00 19.45 17.70 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 2.12 1.46 0.73 0.00 0.00 -0.79 -4.95 121.76 120.34 2kc0 s ALA 196 Ca 0.94 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 2kc0 s ALA 196 Cb -1.10 -0.33 0.11 0.00 0.00 0.00 0.00 23.12 21.80 2kc0 s ALA 196 CO 0.61 0.34 1.01 0.34 0.00 0.00 0.00 175.76 178.06 2kc0 s ASP 197 N -0.69 4.37 0.47 0.00 2.15 -1.26 -0.42 116.67 121.29 2kc0 s ASP 197 Ca 0.06 -0.09 -0.24 0.00 0.43 0.00 0.00 52.55 52.71 2kc0 s ASP 197 Cb -0.07 -0.35 -0.07 0.00 -0.30 0.00 0.00 42.92 42.12 2kc0 s ASP 197 CO 0.00 -1.85 1.30 -0.63 -0.17 0.00 0.00 175.17 173.82 2kc0 s ILE 198 N -3.22 2.51 0.01 4.11 1.01 -1.25 -3.42 121.20 120.96 2kc0 s ILE 198 Ca 0.65 0.41 0.07 0.00 0.00 0.00 0.00 60.65 61.78 2kc0 s ILE 198 Cb -0.07 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2kc0 s ILE 198 CO 0.45 0.02 -0.21 -0.54 0.00 0.00 0.00 174.94 174.66 2kc0 s LYS 199 N -2.61 2.12 0.38 2.79 1.02 -0.45 -4.95 119.74 118.05 2kc0 s LYS 199 Ca 0.64 -0.93 -0.25 0.00 0.02 0.00 0.00 55.97 55.45 2kc0 s LYS 199 Cb -0.37 -2.15 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 2kc0 s LYS 199 CO 0.45 0.56 1.08 -1.25 -0.92 0.00 0.00 175.35 175.27 2kc0 s PRO 200 N -1.04 4.20 0.11 -1.68 0.04 -1.26 -4.07 135.00 131.29 2kc0 s PRO 200 Ca 0.12 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2kc0 s PRO 200 Cb -0.10 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2kc0 s PRO 200 CO 0.02 -0.13 0.00 -3.47 0.04 0.00 0.00 177.00 173.46 2kc0 n ASP 201 N 0.12 -0.39 -3.60 6.66 -0.08 -1.26 -5.05 116.55 112.95 2kc0 n ASP 201 Ca 0.04 0.19 -0.16 0.00 -1.51 0.00 0.00 54.79 53.35 2kc0 n ASP 201 Cb 0.48 0.50 -0.07 0.00 2.34 0.00 0.00 41.12 44.37 2kc0 n ASP 201 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2kc0 s GLY 202 N -4.27 -0.44 0.42 0.27 0.00 -1.26 -5.06 107.32 96.98 2kc0 s GLY 202 Ca 0.00 1.03 0.29 0.00 0.00 0.00 0.00 44.72 46.04 2kc0 s GLY 202 CO 0.00 0.73 1.88 0.07 0.00 0.00 0.00 173.10 175.77 2kc0 h LYS 203 N 3.41 0.00 0.00 2.90 2.10 -2.03 -0.93 116.57 122.02 2kc0 h LYS 203 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2kc0 h LYS 203 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2kc0 h LYS 203 CO 0.38 0.00 0.00 2.89 -2.00 0.00 0.00 179.45 180.72 2kc0 n ARG 204 N -2.50 2.08 -4.24 0.07 -4.01 -1.26 -4.87 116.66 101.92 2kc0 n ARG 204 Ca -0.02 -1.21 -0.31 0.00 -1.04 0.00 0.00 57.85 55.27 2kc0 n ARG 204 Cb 0.05 -0.91 -0.09 0.00 -3.04 0.00 0.00 32.46 28.47 2kc0 n ARG 204 CO 0.00 0.00 0.00 -1.01 -3.04 0.00 0.00 177.63 173.58 2kc0 s HIS 205 N -0.73 2.95 0.03 2.89 3.76 -0.36 -3.08 115.29 120.75 2kc0 s HIS 205 Ca 0.00 -0.03 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 2kc0 s HIS 205 Cb 0.00 -1.56 -0.02 0.00 1.11 0.00 0.00 32.58 32.11 2kc0 s HIS 205 CO 0.00 0.45 -0.13 0.00 -0.85 0.00 0.00 174.74 174.21 2kc0 s ALA 206 N -1.19 1.06 -0.00 -1.40 0.00 -1.26 -4.48 121.76 114.49 2kc0 s ALA 206 Ca 0.22 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 2kc0 s ALA 206 Cb -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2kc0 s ALA 206 CO 0.14 0.20 0.01 0.08 0.00 0.00 0.00 175.76 176.19 2kc0 s VAL 207 N -0.75 -0.00 -0.09 0.00 1.01 -1.26 -3.97 120.40 115.35 2kc0 s VAL 207 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 2kc0 s VAL 207 Cb -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 2kc0 s VAL 207 CO 0.01 0.00 -0.06 -0.63 0.00 0.00 0.00 175.10 174.42 2kc0 s ILE 208 N 0.02 3.75 -0.18 2.22 -1.09 0.32 -1.34 121.20 124.89 2kc0 s ILE 208 Ca -0.00 -0.45 -0.05 0.00 -2.23 0.00 0.00 60.65 57.92 2kc0 s ILE 208 Cb -0.00 -2.56 0.07 0.00 -1.58 0.00 0.00 42.46 38.39 2kc0 s ILE 208 CO -0.00 0.57 0.14 -0.55 -1.23 0.00 0.00 174.94 173.87 2kc0 s SER 209 N -0.48 2.00 0.14 3.58 0.15 -1.22 -2.65 113.70 115.22 2kc0 s SER 209 Ca 0.07 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.28 2kc0 s SER 209 Cb -0.12 -0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.16 2kc0 s SER 209 CO 0.02 -0.34 0.12 0.61 1.20 0.00 0.00 173.24 174.85 2kc0 n GLY 210 N 5.29 3.51 3.50 9.45 0.00 -0.61 -4.65 105.19 121.68 2kc0 n GLY 210 Ca -0.06 -1.74 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.96 3.84 -0.09 1.61 0.01 -1.25 -1.04 113.70 114.83 2kc0 s SER 211 Ca 0.16 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 2kc0 s SER 211 Cb 0.01 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.77 2kc0 s SER 211 CO 0.11 0.12 -0.03 -0.69 0.41 0.00 0.00 173.24 173.16 2kc0 s VAL 212 N -1.63 0.67 -0.02 3.43 1.01 -0.59 -1.40 120.40 121.87 2kc0 s VAL 212 Ca 0.22 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 2kc0 s VAL 212 Cb -0.09 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2kc0 s VAL 212 CO 0.12 0.31 0.73 -0.22 0.00 0.00 0.00 175.10 176.04 2kc0 s LEU 213 N 1.81 4.37 -0.11 3.92 1.98 -1.25 -1.28 118.68 128.12 2kc0 s LEU 213 Ca 0.04 1.30 0.00 0.00 -2.89 0.00 0.00 54.13 52.59 2kc0 s LEU 213 Cb -0.12 -3.15 0.02 0.00 0.66 0.00 0.00 46.19 43.59 2kc0 s LEU 213 CO -0.06 -0.07 -0.10 -0.47 -1.89 0.00 0.00 176.35 173.76 2kc0 s TYR 214 N 0.46 1.60 -1.27 5.38 5.04 -0.43 -4.69 117.35 123.43 2kc0 s TYR 214 Ca 0.38 -0.77 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 2kc0 s TYR 214 Cb -0.19 -1.25 0.00 0.00 0.35 0.00 0.00 41.96 40.87 2kc0 s TYR 214 CO 0.20 -0.48 0.00 -1.71 -1.34 0.00 0.00 175.55 172.23 2kc0 n ASN 215 N 4.60 -4.43 -3.79 4.32 5.15 -1.26 -0.71 115.26 119.13 2kc0 n ASN 215 Ca -0.16 0.15 -0.27 0.00 -0.60 0.00 0.00 54.58 53.70 2kc0 n ASN 215 Cb 0.50 -3.75 0.04 0.00 -0.53 0.00 0.00 39.78 36.04 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 -2.82 -5.90 0.00 1.20 1.13 -1.26 -4.88 117.38 104.86 2kc0 n GLN 216 Ca -0.17 0.65 0.00 0.00 -1.94 0.00 0.00 57.00 55.54 2kc0 n GLN 216 Cb 0.62 -5.51 0.00 0.00 0.11 0.00 0.00 30.24 25.46 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 -4.64 0.00 -0.79 -1.58 0.00 0.11 -5.18 120.51 108.43 2kc0 n ALA 217 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.42 2kc0 n ALA 217 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.37 -3.25 0.00 4.71 -1.23 -1.31 120.64 119.18 2kc0 n GLU 218 Ca 0.00 0.24 -0.04 0.00 -0.01 0.00 0.00 57.16 57.35 2kc0 n GLU 218 Cb 0.00 -0.45 -0.03 0.00 -1.01 0.00 0.00 31.44 29.94 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 -0.33 0.56 0.32 3.49 2.20 -1.26 -4.63 119.74 120.09 2kc0 s LYS 219 Ca 0.00 0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.70 2kc0 s LYS 219 Cb 0.00 -0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.23 2kc0 s LYS 219 CO 0.00 -1.09 0.27 0.41 -0.36 0.00 0.00 175.35 174.58 2kc0 n GLY 220 N 5.06 2.75 3.10 5.54 0.00 -0.41 -3.72 105.19 117.52 2kc0 n GLY 220 Ca 0.05 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.89 0.24 0.04 1.61 1.04 0.64 -1.54 113.70 112.84 2kc0 s SER 221 Ca 0.20 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2kc0 s SER 221 Cb -0.02 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 2kc0 s SER 221 CO 0.13 -0.52 -0.09 -0.72 0.98 0.00 0.00 173.24 173.02 2kc0 s TYR 222 N -2.83 0.78 -0.01 5.02 1.13 -0.20 -1.15 117.35 120.09 2kc0 s TYR 222 Ca -0.03 -0.42 -0.04 0.00 -1.41 0.00 0.00 57.07 55.17 2kc0 s TYR 222 Cb 0.00 -0.47 0.00 0.00 -1.10 0.00 0.00 41.96 40.40 2kc0 s TYR 222 CO -0.06 -0.04 0.09 -1.54 -2.51 0.00 0.00 175.55 171.50 2kc0 s SER 223 N -1.34 0.00 0.16 -0.18 1.04 0.09 -1.58 113.70 111.89 2kc0 s SER 223 Ca -0.06 -0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.06 2kc0 s SER 223 Cb -0.09 0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.29 2kc0 s SER 223 CO 0.01 -0.20 0.71 -1.48 0.98 0.00 0.00 173.24 173.26 2kc0 s LEU 224 N -0.74 -0.43 0.46 2.42 0.05 -1.08 -0.36 118.68 119.01 2kc0 s LEU 224 Ca -0.08 -0.17 0.06 0.00 0.05 0.00 0.00 54.13 53.98 2kc0 s LEU 224 Cb -0.05 2.48 -0.02 0.00 -2.05 0.00 0.00 46.19 46.55 2kc0 s LEU 224 CO 0.00 -0.98 0.19 -0.83 -0.55 0.00 0.00 176.35 174.18 2kc0 s GLY 225 N -2.75 2.49 -0.22 -3.48 0.00 -1.16 -0.52 107.32 101.68 2kc0 s GLY 225 Ca 0.05 -1.58 -0.09 0.00 0.00 0.00 0.00 44.72 43.11 2kc0 s GLY 225 CO -0.07 -1.99 0.10 -0.42 0.00 0.00 0.00 173.10 170.73 2kc0 s ILE 226 N -2.70 4.93 0.12 0.90 -1.09 -1.25 -4.20 121.20 117.91 2kc0 s ILE 226 Ca 0.32 0.03 0.10 0.00 -2.23 0.00 0.00 60.65 58.86 2kc0 s ILE 226 Cb 0.02 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 2kc0 s ILE 226 CO 0.18 0.39 -0.24 -0.36 -1.23 0.00 0.00 174.94 173.68 2kc0 s PHE 227 N 0.90 2.07 0.06 3.97 0.08 -1.17 -2.91 117.98 120.97 2kc0 s PHE 227 Ca 0.05 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2kc0 s PHE 227 Cb -0.13 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.20 2kc0 s PHE 227 CO 0.03 0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.85 2kc0 n GLY 228 N 0.93 -2.88 0.28 4.36 0.00 -1.15 -2.77 105.19 103.95 2kc0 n GLY 228 Ca -0.18 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.57 2kc0 n GLY 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kc0 h GLY 229 N -0.01 0.52 -6.36 -0.02 0.00 -1.98 -3.27 103.07 91.94 2kc0 h GLY 229 Ca -0.00 -0.27 -0.59 0.00 0.00 0.00 0.00 47.33 46.46 2kc0 h GLY 229 CO 0.00 0.26 -0.78 0.28 0.00 0.00 0.00 176.54 176.30 2kc0 n LYS 230 N -4.34 1.56 -4.05 4.80 5.02 -1.26 -4.98 118.16 114.90 2kc0 n LYS 230 Ca 0.02 -4.04 -0.45 0.00 -2.02 0.00 0.00 58.31 51.82 2kc0 n LYS 230 Cb 0.19 -1.91 0.02 0.00 -0.02 0.00 0.00 35.03 33.31 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kc0 n ALA 231 N 1.53 -2.65 -0.07 7.82 0.00 -1.23 -4.90 120.51 121.01 2kc0 n ALA 231 Ca 0.25 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 2kc0 n ALA 231 Cb 0.44 -2.31 -0.11 0.00 0.00 0.00 0.00 19.45 17.47 2kc0 n ALA 231 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kc0 h GLN 232 N -2.35 0.00 -2.59 0.00 1.08 -1.73 -3.46 115.11 106.06 2kc0 h GLN 232 Ca -0.71 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 56.62 2kc0 h GLN 232 Cb 1.41 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.79 2kc0 h GLN 232 CO 0.50 0.84 0.46 -1.83 -0.95 0.00 0.00 178.83 177.85 2kc0 s GLU 233 N -2.12 1.49 0.01 1.46 4.04 -1.24 -3.63 118.70 118.70 2kc0 s GLU 233 Ca -0.16 -0.90 0.01 0.00 0.04 0.00 0.00 54.97 53.95 2kc0 s GLU 233 Cb -0.02 0.45 -0.01 0.00 0.02 0.00 0.00 34.13 34.57 2kc0 s GLU 233 CO 0.58 -0.69 -0.03 0.14 -1.84 0.00 0.00 175.26 173.42 2kc0 s VAL 234 N -2.76 0.17 0.06 1.83 -7.23 -0.10 -3.05 120.40 109.31 2kc0 s VAL 234 Ca 0.16 -0.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.91 2kc0 s VAL 234 Cb -0.03 -0.21 -0.04 0.00 0.56 0.00 0.00 36.38 36.66 2kc0 s VAL 234 CO 0.06 -0.16 -0.04 0.00 -0.31 0.00 0.00 175.10 174.64 2kc0 s ALA 235 N -0.59 0.57 0.00 1.32 0.00 -1.26 -1.46 121.76 120.34 2kc0 s ALA 235 Ca -0.05 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2kc0 s ALA 235 Cb -0.04 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2kc0 s ALA 235 CO -0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2kc0 n GLY 236 N 0.30 -0.83 3.25 0.00 0.00 -0.93 -2.97 105.19 104.01 2kc0 n GLY 236 Ca -0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.07 0.02 1.61 1.04 0.52 -1.37 113.70 111.45 2kc0 s SER 237 Ca 0.00 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2kc0 s SER 237 Cb 0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 2kc0 s SER 237 CO 0.00 -0.72 -0.06 0.00 0.98 0.00 0.00 173.24 173.44 2kc0 s ALA 238 N -3.38 0.40 0.05 5.32 0.00 0.05 -0.73 121.76 123.47 2kc0 s ALA 238 Ca 0.01 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.48 2kc0 s ALA 238 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 2kc0 s ALA 238 CO -0.09 -0.01 -0.12 -2.00 0.00 0.00 0.00 175.76 173.54 2kc0 s GLU 239 N -1.06 0.77 -0.01 0.00 -6.30 -0.30 -0.54 118.70 111.27 2kc0 s GLU 239 Ca -0.07 -0.82 0.02 0.00 -2.50 0.00 0.00 54.97 51.59 2kc0 s GLU 239 Cb -0.07 -0.73 -0.00 0.00 0.00 0.00 0.00 34.13 33.33 2kc0 s GLU 239 CO -0.00 0.17 -0.06 0.54 0.02 0.00 0.00 175.26 175.93 2kc0 s VAL 240 N -1.13 0.45 -1.01 3.70 0.11 -0.15 -0.26 120.40 122.12 2kc0 s VAL 240 Ca -0.02 -0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 58.69 2kc0 s VAL 240 Cb -0.09 -0.40 0.26 0.00 -1.53 0.00 0.00 36.38 34.62 2kc0 s VAL 240 CO 0.01 0.14 0.98 -1.59 -3.33 0.00 0.00 175.10 171.31 2kc0 s LYS 241 N -0.02 3.96 0.75 1.54 -2.85 -1.24 -0.94 119.74 120.94 2kc0 s LYS 241 Ca 0.01 -2.96 -0.12 0.00 -1.00 0.00 0.00 55.97 51.90 2kc0 s LYS 241 Cb -0.04 -4.49 0.04 0.00 -2.06 0.00 0.00 37.83 31.28 2kc0 s LYS 241 CO -0.00 -1.26 1.11 -0.08 0.10 0.00 0.00 175.35 175.22 2kc0 s THR 242 N -0.77 3.18 0.42 3.79 -1.32 -1.25 -4.60 115.64 115.08 2kc0 s THR 242 Ca 0.26 0.38 0.20 0.00 -1.21 0.00 0.00 61.69 61.33 2kc0 s THR 242 Cb -0.10 -3.30 0.20 0.00 -1.51 0.00 0.00 72.50 67.79 2kc0 s THR 242 CO -0.08 -0.50 1.58 -0.37 -2.21 0.00 0.00 174.62 173.04 2kc0 h VAL 243 N -0.84 0.00 0.00 5.08 -1.51 -1.99 0.18 116.25 117.17 2kc0 h VAL 243 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2kc0 h VAL 243 Cb 1.27 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 2kc0 h VAL 243 CO 0.63 0.00 0.00 0.78 -1.23 0.00 0.00 177.57 177.75 2kc0 h ASN 244 N 0.00 0.00 0.00 4.19 2.35 -1.98 -3.48 115.58 116.66 2kc0 h ASN 244 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kc0 h ASN 244 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2kc0 h ASN 244 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2kc0 n GLY 245 N -0.41 2.27 3.31 2.83 0.00 0.64 -5.01 105.19 108.82 2kc0 n GLY 245 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 0.05 -0.03 -0.61 1.10 -1.26 -3.94 121.20 116.51 2kc0 s ILE 246 Ca 0.00 -0.43 -0.02 0.00 -0.51 0.00 0.00 60.65 59.69 2kc0 s ILE 246 Cb 0.00 -0.83 0.01 0.00 0.15 0.00 0.00 42.46 41.79 2kc0 s ILE 246 CO 0.00 -0.24 0.07 -0.13 -2.11 0.00 0.00 174.94 172.54 2kc0 s ARG 247 N -1.90 0.07 0.06 3.50 1.81 -0.12 -4.88 118.95 117.49 2kc0 s ARG 247 Ca -0.09 0.13 0.06 0.00 -1.72 0.00 0.00 55.73 54.10 2kc0 s ARG 247 Cb -0.02 -0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 34.44 2kc0 s ARG 247 CO 0.02 -0.04 -0.09 -1.01 -0.68 0.00 0.00 175.30 173.50 2kc0 s HIS 248 N 0.22 2.78 -0.02 -0.53 3.76 -1.26 -0.98 115.29 119.26 2kc0 s HIS 248 Ca -0.02 -0.12 0.03 0.00 -0.15 0.00 0.00 55.06 54.80 2kc0 s HIS 248 Cb -0.02 -1.51 -0.00 0.00 1.11 0.00 0.00 32.58 32.16 2kc0 s HIS 248 CO -0.01 0.38 -0.09 0.42 -0.85 0.00 0.00 174.74 174.60 2kc0 s ILE 249 N -1.10 0.75 0.18 0.60 1.01 0.30 -4.15 121.20 118.79 2kc0 s ILE 249 Ca 0.19 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.30 2kc0 s ILE 249 Cb -0.11 -0.65 -0.08 0.00 0.01 0.00 0.00 42.46 41.63 2kc0 s ILE 249 CO 0.11 0.23 0.64 -0.83 0.00 0.00 0.00 174.94 175.08 2kc0 s GLY 250 N 0.03 2.56 -0.12 6.18 0.00 -0.71 -0.77 107.32 114.48 2kc0 s GLY 250 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.73 2kc0 s GLY 250 CO 0.00 0.37 -0.03 1.08 0.00 0.00 0.00 173.10 174.52 2kc0 s LEU 251 N -1.88 3.32 -0.21 0.66 2.01 -0.47 -3.27 118.68 118.84 2kc0 s LEU 251 Ca 0.40 -0.04 -0.04 0.00 0.01 0.00 0.00 54.13 54.46 2kc0 s LEU 251 Cb -0.16 -1.78 0.11 0.00 0.01 0.00 0.00 46.19 44.37 2kc0 s LEU 251 CO 0.20 0.26 0.30 0.00 1.01 0.00 0.00 176.35 178.12 2kc0 s ALA 252 N -0.17 -0.69 -0.02 4.21 0.00 -1.22 -2.19 121.76 121.67 2kc0 s ALA 252 Ca 0.03 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2kc0 s ALA 252 Cb -0.13 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.59 2kc0 s ALA 252 CO 0.02 -1.13 0.02 0.00 0.00 0.00 0.00 175.76 174.67 2kc0 s ALA 253 N 2.44 0.17 0.27 0.00 0.00 -0.53 -0.76 121.76 123.34 2kc0 s ALA 253 Ca 0.08 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.33 2kc0 s ALA 253 Cb -0.15 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.64 2kc0 s ALA 253 CO -0.13 -0.09 0.01 -1.59 0.00 0.00 0.00 175.76 173.96 2kc0 s LYS 254 N 1.04 1.47 0.00 0.00 -2.85 -1.14 -0.92 119.74 117.34 2kc0 s LYS 254 Ca -0.09 -1.77 0.29 0.00 -1.00 0.00 0.00 55.97 53.40 2kc0 s LYS 254 Cb -0.13 -0.77 1.72 0.00 -2.06 0.00 0.00 37.83 36.59 2kc0 s LYS 254 CO -0.02 -0.11 2.05 0.94 0.10 0.00 0.00 175.35 178.31