#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1k s SER 2 N 0.00 5.90 0.08 8.00 1.04 -1.26 -5.01 113.70 122.45 1m1k s SER 2 Ca 0.00 0.29 -0.23 0.00 0.48 0.00 0.00 55.95 56.49 1m1k s SER 2 Cb 0.00 -1.59 -0.14 0.00 0.10 0.00 0.00 66.02 64.39 1m1k s SER 2 CO 0.00 -0.64 1.67 0.50 0.98 0.00 0.00 173.24 175.75 1m1k h LYS 3 N 0.46 0.05 -0.32 4.02 3.64 -2.07 -2.40 116.57 119.96 1m1k h LYS 3 Ca -0.46 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.98 1m1k h LYS 3 Cb 1.25 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.98 1m1k h LYS 3 CO 0.58 0.11 -0.21 0.87 -2.27 0.00 0.00 179.45 178.53 1m1k h LYS 4 N -0.02 -0.17 -0.63 1.90 1.57 -2.01 -0.73 116.57 116.48 1m1k h LYS 4 Ca 0.01 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.99 1m1k h LYS 4 Cb 0.07 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1m1k h LYS 4 CO -0.00 -0.11 0.67 -0.22 -0.57 0.00 0.00 179.45 179.22 1m1k h LYS 5 N -0.18 0.00 -0.22 3.15 1.63 -1.83 0.14 116.57 119.26 1m1k h LYS 5 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1m1k h LYS 5 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1m1k h LYS 5 CO -0.42 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.12 1m1k n ARG 6 N -3.61 1.98 0.14 1.90 1.74 -0.29 -4.31 116.66 114.21 1m1k n ARG 6 Ca 0.13 -1.47 0.02 0.00 -0.77 0.00 0.00 57.85 55.75 1m1k n ARG 6 Cb 0.90 -1.43 0.11 0.00 -1.02 0.00 0.00 32.46 31.01 1m1k n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1m1k h GLN 7 N 2.98 0.00 -6.23 5.56 1.08 -0.67 -3.45 115.11 114.38 1m1k h GLN 7 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 1m1k h GLN 7 Cb 0.65 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1m1k h GLN 7 CO 0.00 0.54 1.25 0.54 -0.95 0.00 0.00 178.83 180.21 1m1k n ARG 8 N -3.35 2.32 0.00 1.46 5.12 -1.26 -1.84 116.66 119.10 1m1k n ARG 8 Ca 0.01 0.81 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 1m1k n ARG 8 Cb 0.69 -2.88 0.00 0.00 -1.16 0.00 0.00 32.46 29.10 1m1k n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m1k n GLY 9 N 4.89 1.16 0.10 -0.13 0.00 -1.26 -4.93 105.19 105.02 1m1k n GLY 9 Ca 0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.40 1m1k n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1m1k n SER 10 N 0.00 0.46 0.00 1.61 3.41 -0.77 -4.94 113.62 113.39 1m1k n SER 10 Ca 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 1m1k n SER 10 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1m1k n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1m1k n ARG 11 N -1.03 0.00 0.00 4.33 0.63 -1.26 -4.02 116.66 115.30 1m1k n ARG 11 Ca 0.13 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.18 1m1k n ARG 11 Cb 0.29 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.38 1m1k n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1m1k n THR 12 N 0.00 0.00 -3.06 5.15 -2.24 -1.26 -4.97 114.28 107.90 1m1k n THR 12 Ca 0.00 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 1m1k n THR 12 Cb 0.00 0.48 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1m1k n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1m1k n HIS 13 N -1.30 -1.76 -0.89 4.78 8.25 -1.26 -1.13 115.22 121.90 1m1k n HIS 13 Ca 0.06 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 1m1k n HIS 13 Cb 0.34 -3.52 0.00 0.00 1.12 0.00 0.00 29.99 27.93 1m1k n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1m1k n GLY 14 N -1.24 0.52 0.45 -1.41 0.00 -1.26 -4.94 105.19 97.32 1m1k n GLY 14 Ca -0.08 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.78 1m1k n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m1k n GLY 15 N -2.89 0.01 7.00 -0.02 0.00 -0.29 -5.04 105.19 103.96 1m1k n GLY 15 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1m1k n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m1k n GLY 16 N 1.12 0.69 3.70 -0.02 0.00 -1.26 -4.67 105.19 104.75 1m1k n GLY 16 Ca 0.18 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1m1k n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1m1k n SER 17 N 3.27 3.78 0.00 1.61 2.88 -1.26 -4.80 113.62 119.10 1m1k n SER 17 Ca 0.00 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1m1k n SER 17 Cb 0.00 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 61.93 1m1k n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1m1k n HIS 18 N 4.13 0.00 1.34 0.66 -0.00 -1.26 0.64 115.22 120.72 1m1k n HIS 18 Ca 0.17 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 58.02 1m1k n HIS 18 Cb 0.34 -0.21 0.45 0.00 -0.00 0.00 0.00 29.99 30.57 1m1k n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1m1k n LYS 19 N -1.17 1.03 0.00 -1.40 5.02 -1.26 -4.54 118.16 115.83 1m1k n LYS 19 Ca 0.00 -0.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 1m1k n LYS 19 Cb 0.04 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1m1k n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1m1k n ASN 20 N -0.49 0.00 -3.47 4.39 3.02 0.21 -4.63 115.26 114.28 1m1k n ASN 20 Ca 0.14 0.39 -0.31 0.00 -0.03 0.00 0.00 54.58 54.77 1m1k n ASN 20 Cb 0.34 -0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 39.08 1m1k n ASN 20 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1m1k n ARG 21 N -1.53 0.00 0.00 3.52 1.74 -1.26 -4.69 116.66 114.44 1m1k n ARG 21 Ca 0.00 -0.77 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 1m1k n ARG 21 Cb 0.00 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.24 1m1k n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1m1k n ARG 22 N 6.82 0.00 0.00 5.56 1.74 -1.26 -5.14 116.66 124.37 1m1k n ARG 22 Ca 0.32 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1m1k n ARG 22 Cb 0.32 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 1m1k n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m1k n GLY 23 N 5.00 0.82 0.03 -0.13 0.00 -1.26 -4.93 105.19 104.72 1m1k n GLY 23 Ca 0.00 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.37 1m1k n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1k n ALA 24 N -3.00 1.58 -0.09 4.61 0.00 -1.26 -2.99 120.51 119.35 1m1k n ALA 24 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1m1k n ALA 24 Cb 0.00 -1.24 0.30 0.00 0.00 0.00 0.00 19.45 18.51 1m1k n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1m1k h GLY 25 N 2.13 0.79 2.00 0.00 0.00 -1.91 0.16 103.07 106.23 1m1k h GLY 25 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1m1k h GLY 25 CO 0.00 0.33 0.00 1.57 0.00 0.00 0.00 176.54 178.44 1m1k n HIS 26 N -4.39 0.66 0.65 5.60 -0.00 -1.16 -2.07 115.22 114.51 1m1k n HIS 26 Ca 0.05 0.27 0.07 0.00 -0.00 0.00 0.00 57.72 58.10 1m1k n HIS 26 Cb 0.11 -0.93 -0.02 0.00 -0.00 0.00 0.00 29.99 29.15 1m1k n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1m1k n ARG 27 N -2.11 1.95 -2.37 1.57 1.74 0.33 -4.96 116.66 112.81 1m1k n ARG 27 Ca 0.02 -0.55 -0.00 0.00 -0.77 0.00 0.00 57.85 56.54 1m1k n ARG 27 Cb 0.20 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1m1k n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m1k n GLY 28 N 1.15 0.76 0.00 -0.13 0.00 -0.68 -4.88 105.19 101.41 1m1k n GLY 28 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1m1k n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m1k n GLY 29 N -0.67 0.47 3.73 -0.02 0.00 0.04 -4.62 105.19 104.12 1m1k n GLY 29 Ca -0.00 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1m1k n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1m1k s ARG 30 N -2.05 4.57 5.53 1.61 6.06 -1.26 -4.72 118.95 128.69 1m1k s ARG 30 Ca 0.00 1.71 0.00 0.00 -2.50 0.00 0.00 55.73 54.94 1m1k s ARG 30 Cb 0.00 -3.30 0.00 0.00 0.06 0.00 0.00 34.95 31.71 1m1k s ARG 30 CO 0.00 0.02 0.00 0.41 -2.50 0.00 0.00 175.30 173.23 1m1k n GLY 31 N 2.27 3.20 0.86 8.12 0.00 -1.26 -2.16 105.19 116.22 1m1k n GLY 31 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1m1k n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m1k n ASP 32 N 3.32 2.16 -4.66 1.61 8.00 -1.26 -4.93 116.55 120.79 1m1k n ASP 32 Ca 0.00 -2.21 -0.45 0.00 0.71 0.00 0.00 54.79 52.84 1m1k n ASP 32 Cb 0.00 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 1m1k n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m1k n ALA 33 N 0.13 0.91 -1.00 2.24 0.00 -0.92 -2.03 120.51 119.85 1m1k n ALA 33 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1m1k n ALA 33 Cb 0.49 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1m1k n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m1k n GLY 34 N 2.17 0.49 0.00 0.00 0.00 -1.26 -4.78 105.19 101.81 1m1k n GLY 34 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1m1k n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1m1k n ARG 35 N -2.88 0.00 -0.00 1.61 -4.01 -0.86 -0.95 116.66 109.57 1m1k n ARG 35 Ca 0.00 0.42 0.02 0.00 -1.04 0.00 0.00 57.85 57.24 1m1k n ARG 35 Cb 0.01 -1.52 -0.02 0.00 -3.04 0.00 0.00 32.46 27.89 1m1k n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1m1k n ASP 36 N -1.41 0.78 0.00 2.89 5.75 -1.26 -3.84 116.55 119.46 1m1k n ASP 36 Ca 0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 54.79 54.29 1m1k n ASP 36 Cb 0.02 1.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.14 1m1k n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1m1k n LYS 37 N -1.16 0.00 0.10 0.11 4.76 -0.12 -4.77 118.16 117.08 1m1k n LYS 37 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.57 1m1k n LYS 37 Cb 0.05 0.00 0.45 0.00 -1.84 0.00 0.00 35.03 33.70 1m1k n LYS 37 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1m1k n HIS 38 N 0.00 0.73 -2.49 2.13 1.44 -1.20 -3.69 115.22 112.13 1m1k n HIS 38 Ca 0.00 0.24 -0.14 0.00 -2.01 0.00 0.00 57.72 55.82 1m1k n HIS 38 Cb 0.00 -0.89 0.03 0.00 0.12 0.00 0.00 29.99 29.24 1m1k n HIS 38 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1m1k n GLU 39 N -2.12 2.49 0.22 -1.40 1.02 -0.15 -4.83 120.64 115.87 1m1k n GLU 39 Ca 0.04 -3.83 0.10 0.00 -0.02 0.00 0.00 57.16 53.45 1m1k n GLU 39 Cb 0.33 -1.86 0.46 0.00 -0.02 0.00 0.00 31.44 30.35 1m1k n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1m1k h PHE 40 N 2.55 0.00 -1.84 -0.32 -5.15 -1.63 -3.39 116.94 107.17 1m1k h PHE 40 Ca 0.10 0.00 -0.66 0.00 -0.20 0.00 0.00 57.97 57.21 1m1k h PHE 40 Cb 1.28 0.00 0.04 0.00 0.22 0.00 0.00 35.95 37.49 1m1k h PHE 40 CO 0.66 0.23 0.69 0.72 -2.00 0.00 0.00 178.31 178.61 1m1k n HIS 41 N -3.41 1.89 -2.99 6.09 -0.00 -1.26 -2.81 115.22 112.72 1m1k n HIS 41 Ca 0.00 0.46 -0.15 0.00 -0.00 0.00 0.00 57.72 58.03 1m1k n HIS 41 Cb 0.43 -2.44 0.04 0.00 -0.00 0.00 0.00 29.99 28.01 1m1k n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1m1k n ASN 42 N 3.72 -4.74 -4.16 0.41 5.03 -1.26 -5.02 115.26 109.24 1m1k n ASN 42 Ca 0.20 -0.27 -0.21 0.00 0.87 0.00 0.00 54.58 55.17 1m1k n ASN 42 Cb 0.21 -3.47 -0.14 0.00 -1.02 0.00 0.00 39.78 35.37 1m1k n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1m1k s HIS 43 N -3.08 1.33 0.40 3.10 3.76 -1.12 -5.11 115.29 114.56 1m1k s HIS 43 Ca 0.29 -0.34 -0.25 0.00 -0.15 0.00 0.00 55.06 54.61 1m1k s HIS 43 Cb -0.13 -0.80 -0.08 0.00 1.11 0.00 0.00 32.58 32.68 1m1k s HIS 43 CO 0.36 0.04 1.13 -1.21 -0.85 0.00 0.00 174.74 174.21 1m1k s GLU 44 N -1.04 4.08 0.87 1.40 2.02 -1.26 -4.96 118.70 119.81 1m1k s GLU 44 Ca 0.03 1.73 -0.13 0.00 0.02 0.00 0.00 54.97 56.62 1m1k s GLU 44 Cb -0.08 -2.63 0.05 0.00 0.10 0.00 0.00 34.13 31.58 1m1k s GLU 44 CO 0.01 -0.26 0.76 -0.35 0.02 0.00 0.00 175.26 175.44 1m1k n PRO 45 N 0.03 -0.09 -1.45 0.39 -0.04 -1.26 -4.98 135.00 127.59 1m1k n PRO 45 Ca 0.05 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 1m1k n PRO 45 Cb 0.47 -2.09 0.09 0.00 -0.04 0.00 0.00 33.50 31.93 1m1k n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1m1k s LEU 46 N -3.07 2.69 0.00 1.53 1.43 -1.26 -5.00 118.68 115.00 1m1k s LEU 46 Ca 0.64 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 1m1k s LEU 46 Cb -0.26 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 41.85 1m1k s LEU 46 CO 0.60 -2.00 0.00 0.61 0.23 0.00 0.00 176.35 175.78 1m1k n GLY 47 N -1.77 2.72 3.82 -3.19 0.00 -1.26 -5.08 105.19 100.42 1m1k n GLY 47 Ca 0.07 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 1m1k n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m1k s LYS 48 N -1.98 3.02 -0.18 1.61 1.02 -1.26 -5.12 119.74 116.85 1m1k s LYS 48 Ca 0.00 -0.69 -0.08 0.00 0.02 0.00 0.00 55.97 55.22 1m1k s LYS 48 Cb 0.00 -2.77 0.08 0.00 -0.52 0.00 0.00 37.83 34.61 1m1k s LYS 48 CO 0.00 0.55 0.41 0.45 -0.92 0.00 0.00 175.35 175.84 1m1k s SER 49 N -2.68 -0.35 0.70 2.83 0.15 -1.26 -5.14 113.70 107.95 1m1k s SER 49 Ca 0.31 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1m1k s SER 49 Cb -0.12 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.25 1m1k s SER 49 CO 0.24 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1m1k n GLY 50 N 4.88 -0.44 3.36 9.45 0.00 -1.26 -5.00 105.19 116.18 1m1k n GLY 50 Ca -0.15 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1m1k n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1m1k s PHE 51 N 0.00 1.18 0.01 1.61 -0.12 -1.26 -5.18 117.98 114.23 1m1k s PHE 51 Ca 0.00 -1.34 0.04 0.00 -0.05 0.00 0.00 56.93 55.58 1m1k s PHE 51 Cb 0.00 -0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.02 1m1k s PHE 51 CO 0.00 -0.89 -0.12 0.15 -0.05 0.00 0.00 175.22 174.31 1m1k s LYS 52 N -3.63 0.87 0.16 1.99 1.02 -1.26 -5.13 119.74 113.76 1m1k s LYS 52 Ca 0.35 -0.54 -0.17 0.00 0.02 0.00 0.00 55.97 55.63 1m1k s LYS 52 Cb 0.03 -0.84 -0.07 0.00 -0.52 0.00 0.00 37.83 36.42 1m1k s LYS 52 CO 0.18 0.22 0.61 1.03 -0.92 0.00 0.00 175.35 176.48 1m1k s ARG 53 N -0.64 4.11 0.26 1.68 0.52 -1.26 -5.00 118.95 118.62 1m1k s ARG 53 Ca 0.02 0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 55.60 1m1k s ARG 53 Cb -0.06 -2.96 -0.14 0.00 0.52 0.00 0.00 34.95 32.31 1m1k s ARG 53 CO 0.00 0.47 1.12 -0.35 0.02 0.00 0.00 175.30 176.57 1m1k n PRO 54 N 0.92 1.44 -0.34 3.54 -0.04 -1.26 -4.83 135.00 134.42 1m1k n PRO 54 Ca -0.05 0.51 0.22 0.00 -0.04 0.00 0.00 63.50 64.14 1m1k n PRO 54 Cb 0.51 -1.96 0.46 0.00 -0.04 0.00 0.00 33.50 32.47 1m1k n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1m1k h GLN 55 N 2.68 0.40 -0.64 0.54 4.20 -1.98 -0.33 115.11 119.99 1m1k h GLN 55 Ca -0.42 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1m1k h GLN 55 Cb 1.33 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1m1k h GLN 55 CO 0.65 0.27 0.00 0.36 -0.67 0.00 0.00 178.83 179.44 1m1k n LYS 56 N -4.91 2.03 -0.00 1.46 2.85 -1.26 -2.94 118.16 115.38 1m1k n LYS 56 Ca 0.29 -0.98 0.00 0.00 -1.05 0.00 0.00 58.31 56.58 1m1k n LYS 56 Cb 0.91 -1.55 0.01 0.00 -0.65 0.00 0.00 35.03 33.75 1m1k n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1m1k n VAL 57 N 0.21 1.02 -4.02 0.58 0.31 -0.14 -5.00 118.33 111.29 1m1k n VAL 57 Ca 0.09 -1.03 -0.36 0.00 -0.01 0.00 0.00 64.34 63.03 1m1k n VAL 57 Cb 0.43 0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 33.76 1m1k n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1m1k s GLN 58 N -1.06 3.52 -0.12 5.55 -0.21 -1.15 -4.99 119.66 121.19 1m1k s GLN 58 Ca 0.01 -0.26 -0.02 0.00 0.02 0.00 0.00 55.36 55.11 1m1k s GLN 58 Cb 0.01 -3.12 -0.03 0.00 1.00 0.00 0.00 33.01 30.88 1m1k s GLN 58 CO 0.00 0.60 -0.05 -1.21 -2.12 0.00 0.00 175.29 172.51 1m1k s GLU 59 N -0.53 3.36 -0.33 2.91 2.02 -1.26 -5.07 118.70 119.80 1m1k s GLU 59 Ca 0.11 -0.53 -0.05 0.00 0.02 0.00 0.00 54.97 54.52 1m1k s GLU 59 Cb -0.12 -2.80 0.04 0.00 0.10 0.00 0.00 34.13 31.35 1m1k s GLU 59 CO 0.02 0.39 0.07 -2.00 0.02 0.00 0.00 175.26 173.77 1m1k s GLU 60 N -0.06 2.61 0.12 1.61 2.12 -1.26 -4.99 118.70 118.85 1m1k s GLU 60 Ca 0.01 -1.18 -0.27 0.00 0.36 0.00 0.00 54.97 53.90 1m1k s GLU 60 Cb -0.13 -3.38 -0.07 0.00 0.26 0.00 0.00 34.13 30.81 1m1k s GLU 60 CO 0.03 -0.64 0.84 0.00 -0.54 0.00 0.00 175.26 174.95 1m1k s ALA 61 N 1.37 3.36 -0.26 6.30 0.00 -1.26 -0.60 121.76 130.67 1m1k s ALA 61 Ca -0.02 0.42 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 1m1k s ALA 61 Cb -0.19 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1m1k s ALA 61 CO 0.02 0.13 0.36 0.00 0.00 0.00 0.00 175.76 176.27 1m1k s ALA 62 N -0.51 3.56 0.29 0.00 0.00 0.11 -4.94 121.76 120.27 1m1k s ALA 62 Ca 0.40 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.65 1m1k s ALA 62 Cb -0.23 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1m1k s ALA 62 CO 0.27 -0.60 0.05 0.95 0.00 0.00 0.00 175.76 176.42 1m1k s THR 63 N 1.95 3.34 -0.26 0.00 -4.23 -1.26 0.41 115.64 115.59 1m1k s THR 63 Ca 0.15 -1.83 -0.25 0.00 -1.18 0.00 0.00 61.69 58.58 1m1k s THR 63 Cb -0.16 -2.91 0.08 0.00 1.34 0.00 0.00 72.50 70.86 1m1k s THR 63 CO 0.10 -0.31 0.80 -0.51 -0.54 0.00 0.00 174.62 174.16 1m1k s ILE 64 N -2.35 0.00 -0.03 2.99 2.07 -0.94 -4.94 121.20 118.00 1m1k s ILE 64 Ca 0.33 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.44 1m1k s ILE 64 Cb -0.05 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.49 1m1k s ILE 64 CO 0.21 0.00 0.35 -1.81 -1.91 0.00 0.00 174.94 171.78 1m1k s ASP 65 N 0.22 6.71 0.43 4.50 1.01 -1.26 -0.02 116.67 128.26 1m1k s ASP 65 Ca 0.00 0.85 0.24 0.00 0.71 0.00 0.00 52.55 54.35 1m1k s ASP 65 Cb -0.05 -2.21 1.26 0.00 1.01 0.00 0.00 42.92 42.93 1m1k s ASP 65 CO -0.00 0.34 1.73 -0.37 0.21 0.00 0.00 175.17 177.08 1m1k h VAL 66 N 3.78 0.39 -0.74 -1.27 -1.51 -1.33 0.22 116.25 115.79 1m1k h VAL 66 Ca -0.52 -0.09 0.12 0.00 -1.23 0.00 0.00 66.70 64.98 1m1k h VAL 66 Cb 1.22 0.11 -0.08 0.00 -2.13 0.00 0.00 31.29 30.41 1m1k h VAL 66 CO 0.61 0.05 0.34 -0.09 -1.23 0.00 0.00 177.57 177.24 1m1k h ARG 67 N 0.25 0.52 0.46 5.19 2.43 -1.59 0.68 114.38 122.33 1m1k h ARG 67 Ca 0.66 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.77 1m1k h ARG 67 Cb 1.93 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1m1k h ARG 67 CO -0.29 0.35 -0.22 1.49 -1.51 0.00 0.00 179.97 179.78 1m1k h GLU 68 N 0.54 -0.59 -0.02 0.20 4.81 -0.85 0.21 114.58 118.88 1m1k h GLU 68 Ca 0.38 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1m1k h GLU 68 Cb 0.49 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 1m1k h GLU 68 CO -0.33 -0.30 -0.36 0.82 -0.73 0.00 0.00 179.01 178.11 1m1k h ILE 69 N -0.83 0.00 -0.75 2.32 2.04 -1.45 -2.57 117.51 116.27 1m1k h ILE 69 Ca -0.06 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.95 1m1k h ILE 69 Cb 0.56 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.54 1m1k h ILE 69 CO 0.10 0.00 0.25 -0.78 0.00 0.00 0.00 178.15 177.73 1m1k h ASP 70 N -0.44 0.17 0.36 1.72 3.58 -0.87 -1.07 116.42 119.87 1m1k h ASP 70 Ca 0.01 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1m1k h ASP 70 Cb 0.48 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1m1k h ASP 70 CO -0.25 0.04 0.00 -0.33 -2.88 0.00 0.00 179.24 175.82 1m1k h GLU 71 N 0.37 0.00 0.00 0.28 5.08 -0.17 -2.96 114.58 117.18 1m1k h GLU 71 Ca 0.42 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 1m1k h GLU 71 Cb 0.68 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 1m1k h GLU 71 CO -0.45 0.00 -0.47 0.09 -1.00 0.00 0.00 179.01 177.18 1m1k n ASN 72 N -2.63 1.63 0.45 1.42 3.02 -0.44 -4.83 115.26 113.89 1m1k n ASN 72 Ca -0.01 -3.29 -0.20 0.00 -0.03 0.00 0.00 54.58 51.06 1m1k n ASN 72 Cb 0.14 -0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 38.76 1m1k n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1m1k h VAL 73 N 2.12 0.10 -0.66 2.41 -1.51 -1.31 -0.61 116.25 116.79 1m1k h VAL 73 Ca -0.04 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.55 1m1k h VAL 73 Cb 1.17 0.10 -0.09 0.00 -2.13 0.00 0.00 31.29 30.34 1m1k h VAL 73 CO 0.02 0.00 0.21 0.71 -1.23 0.00 0.00 177.57 177.27 1m1k h THR 74 N -1.18 0.67 0.00 7.19 1.35 -1.88 0.58 112.91 119.64 1m1k h THR 74 Ca -0.11 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.62 1m1k h THR 74 Cb 0.92 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1m1k h THR 74 CO 0.16 0.06 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.40 1m1k h LEU 75 N 0.35 0.00 -4.46 3.87 3.38 -1.84 -2.88 115.31 113.74 1m1k h LEU 75 Ca 0.35 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.87 1m1k h LEU 75 Cb 0.51 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.11 1m1k h LEU 75 CO -0.39 0.03 0.29 0.18 0.09 0.00 0.00 178.44 178.64 1m1k n LEU 76 N -3.43 6.28 -0.17 1.67 4.77 0.20 -4.62 117.00 121.69 1m1k n LEU 76 Ca -0.02 -3.92 0.27 0.00 -0.03 0.00 0.00 56.01 52.31 1m1k n LEU 76 Cb 0.14 -1.27 0.71 0.00 -2.33 0.00 0.00 43.42 40.67 1m1k n LEU 76 CO 0.25 1.73 1.25 0.00 -1.33 0.00 0.00 177.39 179.30 1m1k h ALA 77 N 3.03 2.78 -0.20 -1.18 0.00 -1.66 -1.40 119.26 120.64 1m1k h ALA 77 Ca 0.36 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 1m1k h ALA 77 Cb 0.86 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1m1k h ALA 77 CO 0.77 -1.03 0.18 0.00 0.00 0.00 0.00 179.25 179.16 1m1k n ALA 78 N -2.70 4.41 -3.65 0.00 0.00 -1.26 -4.74 120.51 112.57 1m1k n ALA 78 Ca 0.18 -0.70 -0.05 0.00 0.00 0.00 0.00 53.44 52.88 1m1k n ALA 78 Cb 0.92 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 1m1k n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1m1k s ASP 79 N 1.19 -0.74 0.00 0.00 1.01 -0.53 -5.15 116.67 112.45 1m1k s ASP 79 Ca 0.13 1.31 0.00 0.00 0.71 0.00 0.00 52.55 54.70 1m1k s ASP 79 Cb 0.10 1.84 0.00 0.00 1.01 0.00 0.00 42.92 45.88 1m1k s ASP 79 CO -0.00 -0.23 0.00 0.47 0.21 0.00 0.00 175.17 175.62 1m1k n ASP 80 N 5.38 0.00 -4.18 0.27 9.92 -1.25 -4.78 116.55 121.91 1m1k n ASP 80 Ca -0.11 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 53.90 1m1k n ASP 80 Cb 0.49 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.82 1m1k n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1m1k s VAL 81 N 0.00 1.47 0.00 2.53 1.01 -1.26 -2.21 120.40 121.94 1m1k s VAL 81 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1m1k s VAL 81 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1m1k s VAL 81 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 175.10 175.52 1m1k n ALA 82 N 2.64 0.00 0.26 5.51 0.00 -1.26 -4.89 120.51 122.77 1m1k n ALA 82 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1m1k n ALA 82 Cb 0.54 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.18 1m1k n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1m1k h GLU 83 N 0.00 0.00 -6.62 0.00 4.11 -2.00 -3.50 114.58 106.57 1m1k h GLU 83 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.96 1m1k h GLU 83 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1m1k h GLU 83 CO 0.00 0.00 -0.13 -0.06 0.07 0.00 0.00 179.01 178.89 1m1k s PHE 89 N -3.64 3.39 -0.11 2.06 0.40 -0.11 -5.09 117.98 114.89 1m1k s PHE 89 Ca -0.01 0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.64 1m1k s PHE 89 Cb 0.02 -2.09 0.04 0.00 0.51 0.00 0.00 43.02 41.49 1m1k s PHE 89 CO 0.06 -0.10 0.01 0.50 0.70 0.00 0.00 175.22 176.39 1m1k s ARG 90 N -4.44 0.67 -0.04 0.44 3.52 -0.94 -1.06 118.95 117.10 1m1k s ARG 90 Ca 0.44 -0.05 0.02 0.00 -0.13 0.00 0.00 55.73 56.00 1m1k s ARG 90 Cb -0.10 -1.31 0.02 0.00 -1.56 0.00 0.00 34.95 32.00 1m1k s ARG 90 CO 0.37 -0.39 -0.06 0.54 -0.81 0.00 0.00 175.30 174.95 1m1k s VAL 91 N 1.93 0.64 -0.55 7.11 0.11 -0.43 -3.74 120.40 125.48 1m1k s VAL 91 Ca 0.03 -0.22 -0.25 0.00 -2.93 0.00 0.00 61.98 58.62 1m1k s VAL 91 Cb -0.14 -0.62 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1m1k s VAL 91 CO -0.06 0.23 0.98 -0.62 -3.33 0.00 0.00 175.10 172.30 1m1k s ASP 92 N 0.66 6.37 0.28 3.54 -1.08 -1.26 -2.44 116.67 122.74 1m1k s ASP 92 Ca -0.10 -0.23 0.02 0.00 -0.52 0.00 0.00 52.55 51.72 1m1k s ASP 92 Cb -0.13 -2.46 0.67 0.00 -1.46 0.00 0.00 42.92 39.54 1m1k s ASP 92 CO 0.01 -1.25 1.70 0.58 0.52 0.00 0.00 175.17 176.73 1m1k h VAL 93 N 6.05 0.49 -1.01 1.11 2.07 -1.49 -1.45 116.25 122.01 1m1k h VAL 93 Ca -0.26 -0.13 0.29 0.00 0.82 0.00 0.00 66.70 67.43 1m1k h VAL 93 Cb 1.07 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1m1k h VAL 93 CO 1.10 0.07 0.79 0.03 0.02 0.00 0.00 177.57 179.57 1m1k h ARG 94 N 0.38 0.00 0.00 1.57 3.08 -1.92 1.46 114.38 118.96 1m1k h ARG 94 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.58 1m1k h ARG 94 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1m1k h ARG 94 CO -0.52 0.00 -0.48 -0.25 -1.07 0.00 0.00 179.97 177.64 1m1k n ASP 95 N -4.05 0.58 -0.10 7.04 8.00 -0.55 -4.32 116.55 123.16 1m1k n ASP 95 Ca 0.21 0.08 -0.16 0.00 0.71 0.00 0.00 54.79 55.64 1m1k n ASP 95 Cb 1.13 0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 42.22 1m1k n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1m1k n VAL 96 N -1.89 1.49 -1.80 2.53 0.31 0.49 -4.95 118.33 114.51 1m1k n VAL 96 Ca 0.04 0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 1m1k n VAL 96 Cb 0.40 -2.18 -0.03 0.00 -0.91 0.00 0.00 33.84 31.12 1m1k n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1m1k s VAL 97 N -2.40 2.29 0.61 2.52 1.01 -0.52 -5.01 120.40 118.89 1m1k s VAL 97 Ca -0.25 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1m1k s VAL 97 Cb 0.06 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1m1k s VAL 97 CO 0.43 0.01 1.03 -1.61 0.00 0.00 0.00 175.10 174.96 1m1k s GLU 98 N 1.32 3.58 -0.16 2.72 2.02 -1.26 -3.44 118.70 123.47 1m1k s GLU 98 Ca 0.74 0.82 0.00 0.00 0.02 0.00 0.00 54.97 56.55 1m1k s GLU 98 Cb -0.47 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1m1k s GLU 98 CO 0.32 -0.58 0.00 0.39 0.02 0.00 0.00 175.26 175.41 1m1k n GLU 99 N -2.56 -0.95 0.00 1.61 1.02 -1.26 -4.85 120.64 113.66 1m1k n GLU 99 Ca 0.06 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1m1k n GLU 99 Cb 0.54 -4.11 0.00 0.00 -0.02 0.00 0.00 31.44 27.85 1m1k n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1m1k n ALA 100 N 1.03 2.26 -0.08 0.62 0.00 -1.22 -3.30 120.51 119.82 1m1k n ALA 100 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1m1k n ALA 100 Cb 0.26 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 1m1k n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1m1k n ASP 101 N -0.46 1.45 -0.56 0.00 8.00 -1.26 -4.41 116.55 119.31 1m1k n ASP 101 Ca 0.00 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1m1k n ASP 101 Cb 0.01 -0.58 0.02 0.00 -0.02 0.00 0.00 41.12 40.56 1m1k n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1m1k n ASP 102 N -3.95 1.22 -4.60 -2.24 5.75 -1.24 -4.76 116.55 106.73 1m1k n ASP 102 Ca -0.28 -2.05 -0.34 0.00 -0.01 0.00 0.00 54.79 52.11 1m1k n ASP 102 Cb 0.63 -0.49 -0.11 0.00 -1.03 0.00 0.00 41.12 40.12 1m1k n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1m1k s ALA 103 N -1.12 3.09 -0.67 2.12 0.00 -1.21 -4.92 121.76 119.04 1m1k s ALA 103 Ca 0.03 -0.85 0.18 0.00 0.00 0.00 0.00 51.96 51.33 1m1k s ALA 103 Cb 0.02 -1.39 0.80 0.00 0.00 0.00 0.00 23.12 22.55 1m1k s ALA 103 CO 0.01 0.50 1.56 -3.47 0.00 0.00 0.00 175.76 174.36 1m1k n ASP 104 N 2.49 0.37 0.00 0.00 -0.08 0.24 -4.86 116.55 114.71 1m1k n ASP 104 Ca -0.18 0.61 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 1m1k n ASP 104 Cb 0.53 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.31 1m1k n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m1k n TYR 105 N -1.93 0.00 -3.85 -0.67 0.18 -1.26 -5.00 117.16 104.64 1m1k n TYR 105 Ca 0.02 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.45 1m1k n TYR 105 Cb 0.17 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.03 1m1k n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1m1k s VAL 106 N -2.00 4.99 -0.06 -3.48 1.01 -1.26 0.04 120.40 119.64 1m1k s VAL 106 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1m1k s VAL 106 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1m1k s VAL 106 CO 0.00 0.41 -0.22 -0.75 0.00 0.00 0.00 175.10 174.55 1m1k s LYS 107 N 0.68 2.28 -0.16 2.72 2.20 0.16 -1.82 119.74 125.81 1m1k s LYS 107 Ca 0.05 -0.78 -0.13 0.00 -0.36 0.00 0.00 55.97 54.75 1m1k s LYS 107 Cb -0.13 -1.92 -0.05 0.00 -1.51 0.00 0.00 37.83 34.22 1m1k s LYS 107 CO 0.01 0.30 0.27 0.08 -0.36 0.00 0.00 175.35 175.65 1m1k s VAL 108 N -0.01 5.32 0.15 4.02 1.01 0.28 -2.21 120.40 128.96 1m1k s VAL 108 Ca -0.05 0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.48 1m1k s VAL 108 Cb -0.13 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1m1k s VAL 108 CO 0.04 0.41 0.06 -0.76 0.00 0.00 0.00 175.10 174.85 1m1k s LEU 109 N 0.38 3.57 -0.95 3.92 1.43 0.96 -2.54 118.68 125.46 1m1k s LEU 109 Ca 0.15 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1m1k s LEU 109 Cb -0.13 -2.22 0.30 0.00 0.03 0.00 0.00 46.19 44.17 1m1k s LEU 109 CO 0.03 0.10 2.01 0.61 0.23 0.00 0.00 176.35 179.33 1m1k n GLY 110 N -0.10 5.73 3.71 -3.19 0.00 -1.26 -1.40 105.19 108.68 1m1k n GLY 110 Ca -0.09 -2.45 -0.35 0.00 0.00 0.00 0.00 46.02 43.12 1m1k n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1k s ALA 111 N -3.79 3.52 0.00 4.61 0.00 -1.26 -4.66 121.76 120.18 1m1k s ALA 111 Ca 0.46 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1m1k s ALA 111 Cb 0.29 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1m1k s ALA 111 CO -0.24 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1m1k n GLY 112 N 2.87 -1.79 3.87 0.00 0.00 -1.26 -2.16 105.19 106.73 1m1k n GLY 112 Ca -0.18 -1.94 -0.21 0.00 0.00 0.00 0.00 46.02 43.69 1m1k n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m1k s GLN 113 N 0.00 2.50 -0.25 1.61 -0.21 -1.26 -4.84 119.66 117.22 1m1k s GLN 113 Ca 0.00 -1.57 -0.03 0.00 0.02 0.00 0.00 55.36 53.78 1m1k s GLN 113 Cb 0.00 -2.35 0.08 0.00 1.00 0.00 0.00 33.01 31.74 1m1k s GLN 113 CO 0.00 -0.21 0.09 0.08 -2.12 0.00 0.00 175.29 173.14 1m1k s VAL 114 N -2.49 0.28 -2.37 1.09 1.01 -1.26 -4.13 120.40 112.52 1m1k s VAL 114 Ca 0.47 -0.74 0.22 0.00 0.00 0.00 0.00 61.98 61.94 1m1k s VAL 114 Cb -0.03 -1.07 0.45 0.00 0.00 0.00 0.00 36.38 35.74 1m1k s VAL 114 CO 0.27 -0.51 1.44 0.54 0.00 0.00 0.00 175.10 176.85 1m1k n ARG 115 N 5.12 2.39 -4.38 2.72 1.74 -1.26 -4.77 116.66 118.21 1m1k n ARG 115 Ca -0.06 -2.10 -0.19 0.00 -0.77 0.00 0.00 57.85 54.72 1m1k n ARG 115 Cb 0.45 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 1m1k n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1m1k s HIS 116 N -1.49 1.77 -0.36 -1.55 3.76 -1.26 -5.09 115.29 111.08 1m1k s HIS 116 Ca 0.38 -0.81 -0.23 0.00 -0.15 0.00 0.00 55.06 54.25 1m1k s HIS 116 Cb 0.22 -1.03 0.01 0.00 1.11 0.00 0.00 32.58 32.89 1m1k s HIS 116 CO 0.30 0.12 0.79 -1.83 -0.85 0.00 0.00 174.74 173.28 1m1k s GLU 117 N -3.79 3.78 0.04 1.40 -1.05 -1.24 -4.78 118.70 113.06 1m1k s GLU 117 Ca 0.29 0.36 0.09 0.00 -0.15 0.00 0.00 54.97 55.55 1m1k s GLU 117 Cb 0.05 -3.80 -0.03 0.00 -0.44 0.00 0.00 34.13 29.91 1m1k s GLU 117 CO 0.10 -0.84 -0.24 -0.51 0.95 0.00 0.00 175.26 174.73 1m1k s LEU 118 N 3.10 2.27 -0.32 1.83 1.43 -1.26 -0.93 118.68 124.80 1m1k s LEU 118 Ca 0.32 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1m1k s LEU 118 Cb -0.13 -1.35 0.09 0.00 0.03 0.00 0.00 46.19 44.83 1m1k s LEU 118 CO 0.16 0.26 0.02 -0.89 0.23 0.00 0.00 176.35 176.14 1m1k s THR 119 N -0.82 2.43 -0.14 5.49 2.01 -0.22 0.02 115.64 124.40 1m1k s THR 119 Ca 0.12 -2.05 -0.06 0.00 0.31 0.00 0.00 61.69 60.01 1m1k s THR 119 Cb -0.10 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1m1k s THR 119 CO 0.03 -0.42 0.06 -0.76 -0.69 0.00 0.00 174.62 172.83 1m1k s LEU 120 N 1.01 3.86 -0.22 4.42 1.43 -0.48 -1.31 118.68 127.39 1m1k s LEU 120 Ca 0.04 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1m1k s LEU 120 Cb -0.20 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.12 1m1k s LEU 120 CO -0.06 0.28 -0.15 -0.63 0.23 0.00 0.00 176.35 176.01 1m1k s ILE 121 N -0.24 2.12 0.26 -0.59 1.01 -1.02 0.25 121.20 122.99 1m1k s ILE 121 Ca 0.08 -1.31 -0.10 0.00 0.00 0.00 0.00 60.65 59.32 1m1k s ILE 121 Cb -0.12 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1m1k s ILE 121 CO 0.01 0.24 0.45 0.00 0.00 0.00 0.00 174.94 175.64 1m1k s ALA 122 N 1.19 0.08 -0.07 9.38 0.00 -1.12 -1.09 121.76 130.14 1m1k s ALA 122 Ca -0.02 -1.08 0.22 0.00 0.00 0.00 0.00 51.96 51.07 1m1k s ALA 122 Cb -0.17 1.11 0.58 0.00 0.00 0.00 0.00 23.12 24.65 1m1k s ALA 122 CO -0.09 -0.82 1.68 -0.44 0.00 0.00 0.00 175.76 176.10 1m1k h ASP 123 N 2.26 0.00 -4.69 0.00 3.32 -1.69 -1.20 116.42 114.43 1m1k h ASP 123 Ca -0.28 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.82 1m1k h ASP 123 Cb 1.25 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.63 1m1k h ASP 123 CO 0.38 0.25 0.38 -0.62 -1.72 0.00 0.00 179.24 177.91 1m1k s ASP 124 N -6.24 -0.46 0.05 6.45 2.15 -0.97 -4.07 116.67 113.58 1m1k s ASP 124 Ca 0.03 0.20 -0.05 0.00 0.43 0.00 0.00 52.55 53.15 1m1k s ASP 124 Cb 0.08 0.45 -0.02 0.00 -0.30 0.00 0.00 42.92 43.13 1m1k s ASP 124 CO 0.67 -0.65 0.08 -0.36 -0.17 0.00 0.00 175.17 174.74 1m1k s PHE 125 N -2.57 0.26 0.20 -5.34 0.40 -1.26 -0.55 117.98 109.11 1m1k s PHE 125 Ca 0.00 -0.63 0.03 0.00 -0.60 0.00 0.00 56.93 55.72 1m1k s PHE 125 Cb -0.01 -0.18 -0.03 0.00 0.51 0.00 0.00 43.02 43.31 1m1k s PHE 125 CO -0.05 -0.40 0.35 -1.54 0.70 0.00 0.00 175.22 174.28 1m1k s SER 126 N -2.40 6.34 0.16 1.36 1.04 -1.05 -4.96 113.70 114.19 1m1k s SER 126 Ca -0.01 0.20 -0.25 0.00 0.48 0.00 0.00 55.95 56.37 1m1k s SER 126 Cb 0.02 -1.92 0.04 0.00 0.10 0.00 0.00 66.02 64.25 1m1k s SER 126 CO -0.07 -0.03 1.58 -0.33 0.98 0.00 0.00 173.24 175.38 1m1k h GLU 127 N 1.71 -0.27 -0.80 4.02 5.08 -2.00 -0.39 114.58 121.93 1m1k h GLU 127 Ca -0.50 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.05 1m1k h GLU 127 Cb 1.21 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 1m1k h GLU 127 CO 0.66 -0.18 0.53 0.78 -1.00 0.00 0.00 179.01 179.80 1m1k h GLY 128 N -0.28 0.77 0.68 -3.84 0.00 -1.95 -0.16 103.07 98.28 1m1k h GLY 128 Ca 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1m1k h GLY 128 CO -0.57 0.05 -0.00 0.00 0.00 0.00 0.00 176.54 176.01 1m1k h ALA 129 N 1.63 0.01 0.48 3.60 0.00 -1.37 -2.09 119.26 121.52 1m1k h ALA 129 Ca 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1m1k h ALA 129 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1m1k h ALA 129 CO -0.14 -0.32 -0.23 0.00 0.00 0.00 0.00 179.25 178.56 1m1k h ARG 130 N -0.31 -0.62 -1.00 0.00 3.08 -0.38 -0.77 114.38 114.38 1m1k h ARG 130 Ca 0.00 0.04 0.19 0.00 0.07 0.00 0.00 59.98 60.28 1m1k h ARG 130 Cb 0.33 0.14 -0.18 0.00 0.08 0.00 0.00 29.97 30.34 1m1k h ARG 130 CO 0.00 -0.42 -0.29 0.39 -1.07 0.00 0.00 179.97 178.58 1m1k n GLU 131 N -3.80 -0.13 0.23 0.04 1.02 -0.17 -0.78 120.64 117.04 1m1k n GLU 131 Ca -0.08 1.55 -0.15 0.00 -0.02 0.00 0.00 57.16 58.46 1m1k n GLU 131 Cb 0.25 -2.31 -0.08 0.00 -0.02 0.00 0.00 31.44 29.28 1m1k n GLU 131 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1m1k h LYS 132 N 0.00 -0.57 -0.78 3.49 1.57 -1.28 0.11 116.57 119.11 1m1k h LYS 132 Ca 0.44 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.32 1m1k h LYS 132 Cb 0.69 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 1m1k h LYS 132 CO -1.02 -0.38 0.51 0.28 -0.57 0.00 0.00 179.45 178.27 1m1k h VAL 133 N -0.60 1.05 0.05 0.50 2.07 0.59 -2.47 116.25 117.44 1m1k h VAL 133 Ca -0.04 -0.29 -0.23 0.00 0.82 0.00 0.00 66.70 66.96 1m1k h VAL 133 Cb 0.50 0.12 0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1m1k h VAL 133 CO 0.03 0.16 -0.94 -0.33 0.02 0.00 0.00 177.57 176.50 1m1k h GLU 134 N 0.85 0.55 0.00 1.57 5.08 -0.88 0.93 114.58 122.68 1m1k h GLU 134 Ca 0.33 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1m1k h GLU 134 Cb 0.21 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1m1k h GLU 134 CO -0.11 1.27 0.13 0.78 -1.00 0.00 0.00 179.01 180.07 1m1k h GLY 135 N 0.12 0.00 -3.42 -3.84 0.00 -0.35 0.47 103.07 96.05 1m1k h GLY 135 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.89 1m1k h GLY 135 CO 0.18 0.00 0.34 0.00 0.00 0.00 0.00 176.54 177.06 1m1k n ALA 136 N -1.98 4.80 -3.19 3.60 0.00 -1.00 -4.88 120.51 117.86 1m1k n ALA 136 Ca -0.03 -2.65 -0.15 0.00 0.00 0.00 0.00 53.44 50.61 1m1k n ALA 136 Cb 0.19 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 18.49 1m1k n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m1k n GLY 137 N -0.66 -0.13 3.62 0.00 0.00 0.16 -3.59 105.19 104.58 1m1k n GLY 137 Ca 0.45 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1m1k n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1m1k s GLY 138 N -3.53 2.79 0.08 -0.02 0.00 0.32 -4.46 107.32 102.49 1m1k s GLY 138 Ca 0.26 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 44.10 1m1k s GLY 138 CO 0.53 -1.99 -0.07 -1.35 0.00 0.00 0.00 173.10 170.22 1m1k s SER 139 N -3.72 1.03 -0.17 1.64 1.04 0.10 -3.66 113.70 109.97 1m1k s SER 139 Ca 0.16 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1m1k s SER 139 Cb 0.02 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.25 1m1k s SER 139 CO 0.10 -0.39 -0.12 -0.69 0.98 0.00 0.00 173.24 173.13 1m1k s VAL 140 N -2.93 1.55 -0.22 5.02 1.01 -1.26 -1.38 120.40 122.19 1m1k s VAL 140 Ca 0.05 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1m1k s VAL 140 Cb 0.01 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1m1k s VAL 140 CO -0.03 0.31 0.08 -1.61 0.00 0.00 0.00 175.10 173.85 1m1k s GLU 141 N 1.47 3.87 -0.17 2.72 2.02 0.14 -4.97 118.70 123.77 1m1k s GLU 141 Ca 0.02 -0.38 -0.25 0.00 0.02 0.00 0.00 54.97 54.37 1m1k s GLU 141 Cb -0.14 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 1m1k s GLU 141 CO -0.09 0.06 0.83 -1.17 0.02 0.00 0.00 175.26 174.91 1m1k s LEU 142 N 0.97 4.17 1.26 1.80 2.96 -1.26 -2.77 118.68 125.81 1m1k s LEU 142 Ca 0.04 1.18 -0.16 0.00 -0.22 0.00 0.00 54.13 54.97 1m1k s LEU 142 Cb -0.14 -3.24 0.30 0.00 0.50 0.00 0.00 46.19 43.62 1m1k s LEU 142 CO 0.03 -0.40 0.86 0.41 -1.32 0.00 0.00 176.35 175.93 1m1k n THR 143 N 4.74 0.00 0.06 3.68 -1.04 -0.45 -4.76 114.28 116.51 1m1k n THR 143 Ca 0.04 -0.36 -0.02 0.00 -2.04 0.00 0.00 64.05 61.68 1m1k n THR 143 Cb 0.49 -0.95 0.23 0.00 -1.82 0.00 0.00 70.33 68.28 1m1k n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1m1k h ASP 144 N -2.92 0.35 -0.31 8.00 3.32 -1.97 0.50 116.42 123.38 1m1k h ASP 144 Ca -0.56 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.25 1m1k h ASP 144 Cb 1.33 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1m1k h ASP 144 CO 0.42 0.66 -0.18 0.25 -1.72 0.00 0.00 179.24 178.67 1m1k h LEU 145 N 0.30 0.78 -1.43 1.55 6.46 -1.93 -1.09 115.31 119.95 1m1k h LEU 145 Ca 0.04 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1m1k h LEU 145 Cb 0.72 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1m1k h LEU 145 CO 0.05 0.95 0.13 1.23 -0.62 0.00 0.00 178.44 180.18 1m1k h GLY 146 N 0.97 0.00 -2.74 3.75 0.00 -1.06 -2.99 103.07 101.00 1m1k h GLY 146 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1m1k h GLY 146 CO 0.05 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.77 1m1k n GLU 147 N -2.31 0.56 -2.57 4.80 1.02 -0.41 -3.94 120.64 117.78 1m1k n GLU 147 Ca -0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.85 1m1k n GLU 147 Cb 0.16 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1m1k n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1m1k n GLU 148 N 1.24 3.39 -3.56 3.49 1.02 -1.13 -4.92 120.64 120.17 1m1k n GLU 148 Ca 0.00 -4.58 -0.27 0.00 -0.02 0.00 0.00 57.16 52.29 1m1k n GLU 148 Cb 0.28 -2.25 -0.09 0.00 -0.02 0.00 0.00 31.44 29.36 1m1k n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1m1k n ARG 149 N -0.43 1.88 0.00 3.49 1.74 -1.25 -5.21 116.66 116.88 1m1k n ARG 149 Ca 0.38 -4.32 0.00 0.00 -0.77 0.00 0.00 57.85 53.14 1m1k n ARG 149 Cb 0.60 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1m1k n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05