#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bx4 s PRO 3 N -0.70 -0.45 0.33 0.00 0.04 -1.26 -4.87 135.00 128.08 3bx4 s PRO 3 Ca 0.10 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 3bx4 s PRO 3 Cb -0.10 -1.59 -0.11 0.00 0.04 0.00 0.00 34.50 32.74 3bx4 s PRO 3 CO -0.01 -3.47 1.53 -1.12 0.04 0.00 0.00 177.00 173.98 3bx4 s SER 4 N -2.54 6.39 0.00 6.66 0.01 -1.26 -2.51 113.70 120.45 3bx4 s SER 4 Ca 0.68 2.97 0.00 0.00 1.31 0.00 0.00 55.95 60.91 3bx4 s SER 4 Cb -0.24 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.34 3bx4 s SER 4 CO 0.63 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 174.02 3bx4 n GLY 5 N 1.38 1.75 3.87 3.44 0.00 -1.26 -5.04 105.19 109.32 3bx4 n GLY 5 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3bx4 n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bx4 s TRP 6 N -2.53 3.30 0.04 1.61 0.52 -1.04 -4.79 118.94 116.04 3bx4 s TRP 6 Ca 0.00 0.03 0.09 0.00 0.02 0.00 0.00 56.10 56.24 3bx4 s TRP 6 Cb 0.00 -1.57 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 3bx4 s TRP 6 CO 0.00 0.51 -0.26 -1.12 0.02 0.00 0.00 176.95 176.10 3bx4 s SER 7 N -3.25 3.19 -0.11 2.95 0.01 0.56 -4.77 113.70 112.29 3bx4 s SER 7 Ca 0.33 -0.58 -0.11 0.00 1.31 0.00 0.00 55.95 56.90 3bx4 s SER 7 Cb -0.10 -0.30 -0.05 0.00 0.21 0.00 0.00 66.02 65.78 3bx4 s SER 7 CO 0.26 0.26 0.24 -0.55 0.41 0.00 0.00 173.24 173.86 3bx4 s SER 8 N -1.22 6.48 -0.20 2.44 0.15 -1.26 -0.75 113.70 119.35 3bx4 s SER 8 Ca 0.12 0.57 -0.09 0.00 0.70 0.00 0.00 55.95 57.24 3bx4 s SER 8 Cb -0.10 -2.14 0.07 0.00 -1.71 0.00 0.00 66.02 62.14 3bx4 s SER 8 CO 0.02 0.29 0.46 -0.47 1.20 0.00 0.00 173.24 174.74 3bx4 s TYR 9 N -0.54 -0.75 -0.80 3.44 5.04 -0.71 -4.99 117.35 118.04 3bx4 s TYR 9 Ca 0.17 1.51 -0.23 0.00 -2.44 0.00 0.00 57.07 56.08 3bx4 s TYR 9 Cb -0.13 0.35 0.03 0.00 0.35 0.00 0.00 41.96 42.56 3bx4 s TYR 9 CO 0.06 -0.42 0.44 0.39 -1.34 0.00 0.00 175.55 174.67 3bx4 n GLU 10 N 4.66 -0.50 -0.98 4.97 1.02 -1.26 -1.43 120.64 127.12 3bx4 n GLU 10 Ca -0.18 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 3bx4 n GLU 10 Cb 0.54 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 3bx4 n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bx4 n GLY 11 N -1.71 0.65 3.32 0.62 0.00 -1.26 -5.02 105.19 101.78 3bx4 n GLY 11 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 3bx4 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bx4 s HIS 12 N -2.69 1.56 0.03 1.61 3.76 -0.51 -1.33 115.29 117.72 3bx4 s HIS 12 Ca 0.00 -0.67 0.09 0.00 -0.15 0.00 0.00 55.06 54.33 3bx4 s HIS 12 Cb 0.00 -0.77 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 3bx4 s HIS 12 CO 0.00 0.24 -0.26 0.00 -0.85 0.00 0.00 174.74 173.87 3bx4 s TYR 14 N -0.76 0.31 -0.12 0.00 2.02 0.07 -1.62 117.35 117.25 3bx4 s TYR 14 Ca 0.11 -0.18 -0.06 0.00 -0.37 0.00 0.00 57.07 56.57 3bx4 s TYR 14 Cb -0.10 -0.20 0.05 0.00 -0.40 0.00 0.00 41.96 41.31 3bx4 s TYR 14 CO 0.01 -0.04 0.29 0.21 -1.57 0.00 0.00 175.55 174.45 3bx4 s LYS 15 N -0.48 0.24 0.26 -0.62 2.20 -0.58 -0.32 119.74 120.43 3bx4 s LYS 15 Ca -0.03 0.63 -0.22 0.00 -0.36 0.00 0.00 55.97 55.99 3bx4 s LYS 15 Cb -0.04 -0.08 -0.09 0.00 -1.51 0.00 0.00 37.83 36.12 3bx4 s LYS 15 CO -0.00 -0.18 0.80 -1.25 -0.36 0.00 0.00 175.35 174.36 3bx4 s PRO 16 N 1.48 4.37 -0.08 4.03 0.04 -1.26 -0.68 135.00 142.90 3bx4 s PRO 16 Ca -0.08 1.03 0.04 0.00 0.04 0.00 0.00 61.00 62.04 3bx4 s PRO 16 Cb -0.10 -2.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.59 3bx4 s PRO 16 CO -0.10 0.35 -0.22 -0.06 0.04 0.00 0.00 177.00 177.02 3bx4 s PHE 17 N -1.56 2.26 0.09 0.56 0.08 0.49 -4.96 117.98 114.94 3bx4 s PHE 17 Ca 0.45 -0.82 0.09 0.00 0.12 0.00 0.00 56.93 56.77 3bx4 s PHE 17 Cb -0.17 -1.52 -0.09 0.00 -0.57 0.00 0.00 43.02 40.67 3bx4 s PHE 17 CO 0.22 -0.32 1.35 -0.97 -0.10 0.00 0.00 175.22 175.40 3bx4 h ASN 18 N 6.53 0.00 -1.34 1.36 -1.24 -1.96 -1.87 115.58 117.06 3bx4 h ASN 18 Ca -0.26 0.00 -0.63 0.00 0.71 0.00 0.00 56.30 56.12 3bx4 h ASN 18 Cb 1.21 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 3bx4 h ASN 18 CO 0.47 0.86 1.46 -0.62 -1.29 0.00 0.00 177.43 178.32 3bx4 n GLU 19 N -3.37 1.29 -1.87 6.67 1.02 -1.26 -4.52 120.64 118.59 3bx4 n GLU 19 Ca 0.00 0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 57.06 3bx4 n GLU 19 Cb 0.86 -2.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.55 3bx4 n GLU 19 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3bx4 s PRO 20 N 6.46 4.19 0.03 3.49 0.02 -1.26 -4.63 135.00 143.29 3bx4 s PRO 20 Ca 1.07 2.45 -0.01 0.00 0.02 0.00 0.00 61.00 64.53 3bx4 s PRO 20 Cb -0.68 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 30.71 3bx4 s PRO 20 CO 0.44 -0.61 -0.02 0.15 -0.33 0.00 0.00 177.00 176.63 3bx4 s LYS 21 N 0.52 0.43 1.08 5.54 1.02 -0.38 -4.76 119.74 123.19 3bx4 s LYS 21 Ca 0.68 -0.80 -0.14 0.00 0.02 0.00 0.00 55.97 55.73 3bx4 s LYS 21 Cb -0.46 0.15 0.23 0.00 -0.52 0.00 0.00 37.83 37.23 3bx4 s LYS 21 CO 0.37 -0.08 1.09 0.54 -0.92 0.00 0.00 175.35 176.35 3bx4 s ASN 22 N -1.94 1.95 0.10 2.83 2.20 -1.25 -1.65 114.94 117.18 3bx4 s ASN 22 Ca -0.08 1.06 -0.22 0.00 -0.94 0.00 0.00 52.86 52.68 3bx4 s ASN 22 Cb -0.04 -1.63 -0.12 0.00 -2.00 0.00 0.00 41.25 37.46 3bx4 s ASN 22 CO -0.04 -3.54 1.75 -0.25 -2.94 0.00 0.00 177.10 172.09 3bx4 h TRP 23 N -2.17 0.10 -0.52 1.54 7.01 -1.59 -0.58 115.95 119.74 3bx4 h TRP 23 Ca -0.53 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.43 3bx4 h TRP 23 Cb 1.33 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 28.33 3bx4 h TRP 23 CO -0.33 0.07 0.19 0.00 -2.79 0.00 0.00 178.44 175.58 3bx4 h ALA 24 N 1.03 0.68 -0.51 2.65 0.00 -1.93 -0.44 119.26 120.74 3bx4 h ALA 24 Ca 0.03 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3bx4 h ALA 24 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3bx4 h ALA 24 CO -0.01 0.31 -0.07 -0.44 0.00 0.00 0.00 179.25 179.05 3bx4 h ASP 25 N 0.71 0.91 -0.18 0.00 3.32 -1.88 -0.67 116.42 118.62 3bx4 h ASP 25 Ca 0.17 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3bx4 h ASP 25 Cb 0.23 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3bx4 h ASP 25 CO -0.01 1.01 0.09 0.00 -1.72 0.00 0.00 179.24 178.61 3bx4 h ALA 26 N 1.08 0.23 -0.66 3.45 0.00 -0.78 0.75 119.26 123.33 3bx4 h ALA 26 Ca 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3bx4 h ALA 26 Cb 0.59 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3bx4 h ALA 26 CO 0.04 -0.21 0.29 1.49 0.00 0.00 0.00 179.25 180.86 3bx4 h GLU 27 N 0.17 0.96 -0.67 0.00 4.57 -0.96 -2.11 114.58 116.55 3bx4 h GLU 27 Ca 0.06 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 3bx4 h GLU 27 Cb 0.11 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 3bx4 h GLU 27 CO -0.01 0.78 0.17 -0.09 -1.18 0.00 0.00 179.01 178.68 3bx4 h ARG 28 N 0.91 1.06 -0.86 1.92 2.43 -0.97 -1.54 114.38 117.33 3bx4 h ARG 28 Ca 0.22 -0.25 0.10 0.00 -0.81 0.00 0.00 59.98 59.24 3bx4 h ARG 28 Cb 0.16 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 3bx4 h ARG 28 CO -0.02 0.95 0.51 0.35 -1.51 0.00 0.00 179.97 180.24 3bx4 h PHE 29 N 0.99 0.92 -0.35 2.20 3.57 -0.35 -0.59 116.94 123.33 3bx4 h PHE 29 Ca 0.21 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.59 3bx4 h PHE 29 Cb 0.36 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3bx4 h PHE 29 CO 0.03 0.38 -0.38 0.00 -2.23 0.00 0.00 178.31 176.11 3bx4 h LYS 31 N 0.68 0.00 -0.00 0.00 1.57 -0.19 -1.07 116.57 117.57 3bx4 h LYS 31 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3bx4 h LYS 31 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3bx4 h LYS 31 CO 0.09 0.23 -0.05 1.28 -0.57 0.00 0.00 179.45 180.43 3bx4 n LEU 32 N -3.69 0.28 -4.74 2.94 4.77 -0.35 -4.26 117.00 111.95 3bx4 n LEU 32 Ca -0.01 0.06 -0.36 0.00 -0.03 0.00 0.00 56.01 55.67 3bx4 n LEU 32 Cb 0.35 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3bx4 n LEU 32 CO 0.34 0.05 0.85 -1.10 -1.33 0.00 0.00 177.39 176.20 3bx4 s GLN 33 N -2.38 2.72 0.27 3.23 -1.52 -0.96 -4.91 119.66 116.12 3bx4 s GLN 33 Ca 0.33 1.88 -0.00 0.00 -1.95 0.00 0.00 55.36 55.62 3bx4 s GLN 33 Cb 0.21 -1.89 0.60 0.00 -0.22 0.00 0.00 33.01 31.70 3bx4 s GLN 33 CO 0.44 -1.41 1.71 -1.35 -0.25 0.00 0.00 175.29 174.43 3bx4 h PRO 34 N 0.59 0.42 -5.18 2.91 0.11 -1.91 -3.08 132.00 125.86 3bx4 h PRO 34 Ca -0.50 -0.03 -0.63 0.00 0.11 0.00 0.00 66.00 64.95 3bx4 h PRO 34 Cb 1.31 -0.10 -0.15 0.00 0.11 0.00 0.00 31.00 32.18 3bx4 h PRO 34 CO 0.54 0.28 -0.17 0.21 -0.21 0.00 0.00 178.00 178.65 3bx4 s LYS 35 N -5.95 3.91 0.07 1.05 2.36 -1.26 -5.04 119.74 114.88 3bx4 s LYS 35 Ca -0.12 0.00 -0.32 0.00 -2.55 0.00 0.00 55.97 52.98 3bx4 s LYS 35 Cb 0.23 -3.70 -0.11 0.00 -1.05 0.00 0.00 37.83 33.20 3bx4 s LYS 35 CO 0.77 -0.38 1.84 0.72 1.55 0.00 0.00 175.35 179.85 3bx4 n HIS 36 N 5.45 2.51 -4.49 4.03 8.25 -1.17 -4.95 115.22 124.85 3bx4 n HIS 36 Ca -0.07 -0.11 -0.22 0.00 -0.26 0.00 0.00 57.72 57.06 3bx4 n HIS 36 Cb 0.50 -2.71 -0.05 0.00 1.12 0.00 0.00 29.99 28.85 3bx4 n HIS 36 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3bx4 n SER 37 N 5.90 2.46 -4.11 0.41 3.41 -0.44 -4.89 113.62 116.36 3bx4 n SER 37 Ca 0.19 -2.59 -0.08 0.00 -0.26 0.00 0.00 58.87 56.12 3bx4 n SER 37 Cb 0.35 0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 64.61 3bx4 n SER 37 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3bx4 s HIS 38 N -2.42 0.67 0.63 7.33 3.76 -0.79 -3.11 115.29 121.36 3bx4 s HIS 38 Ca 0.04 -1.12 -0.18 0.00 -0.15 0.00 0.00 55.06 53.65 3bx4 s HIS 38 Cb 0.00 -0.41 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 3bx4 s HIS 38 CO 0.03 -0.46 1.00 1.28 -0.85 0.00 0.00 174.74 175.74 3bx4 n LEU 39 N -0.00 3.99 -4.74 0.89 4.77 -1.26 -0.68 117.00 119.97 3bx4 n LEU 39 Ca -0.10 0.78 -0.42 0.00 -0.03 0.00 0.00 56.01 56.25 3bx4 n LEU 39 Cb 0.62 -1.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.30 3bx4 n LEU 39 CO 0.29 -1.81 1.07 0.55 -1.33 0.00 0.00 177.39 176.17 3bx4 n VAL 40 N -1.89 1.72 -4.25 4.08 3.14 -0.59 -4.23 118.33 116.31 3bx4 n VAL 40 Ca 0.14 -0.43 -0.29 0.00 -2.96 0.00 0.00 64.34 60.80 3bx4 n VAL 40 Cb 0.48 -1.81 -0.10 0.00 -1.06 0.00 0.00 33.84 31.35 3bx4 n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3bx4 s SER 41 N -0.03 4.31 -0.18 6.55 1.04 -1.26 -0.76 113.70 123.37 3bx4 s SER 41 Ca 0.57 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.54 3bx4 s SER 41 Cb -0.52 -0.78 -0.00 0.00 0.10 0.00 0.00 66.02 64.82 3bx4 s SER 41 CO 0.59 0.16 -0.12 -0.36 0.98 0.00 0.00 173.24 174.50 3bx4 s PHE 42 N -1.30 2.86 -1.63 5.02 0.40 -1.26 -4.98 117.98 117.09 3bx4 s PHE 42 Ca 0.22 -1.06 0.16 0.00 -0.60 0.00 0.00 56.93 55.64 3bx4 s PHE 42 Cb -0.11 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.49 3bx4 s PHE 42 CO 0.14 -0.53 0.89 1.04 0.70 0.00 0.00 175.22 177.46 3bx4 n GLN 43 N 4.38 1.56 -3.45 0.44 1.13 -1.26 -5.02 117.38 115.16 3bx4 n GLN 43 Ca -0.19 -1.02 -0.12 0.00 -1.94 0.00 0.00 57.00 53.73 3bx4 n GLN 43 Cb 0.51 -1.27 -0.02 0.00 0.11 0.00 0.00 30.24 29.57 3bx4 n GLN 43 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3bx4 s SER 44 N -1.66 -0.52 0.27 1.08 1.04 -1.26 -5.02 113.70 107.63 3bx4 s SER 44 Ca 0.15 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.61 3bx4 s SER 44 Cb 0.13 0.54 0.35 0.00 0.10 0.00 0.00 66.02 67.14 3bx4 s SER 44 CO 0.32 -0.84 1.91 0.00 0.98 0.00 0.00 173.24 175.61 3bx4 h ALA 45 N 2.09 1.29 -0.52 5.32 0.00 -1.99 -2.19 119.26 123.26 3bx4 h ALA 45 Ca -0.30 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 3bx4 h ALA 45 Cb 1.28 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3bx4 h ALA 45 CO 0.36 0.59 0.03 0.93 0.00 0.00 0.00 179.25 181.16 3bx4 h GLU 46 N 1.12 0.86 -0.64 0.00 5.08 -1.99 -1.29 114.58 117.72 3bx4 h GLU 46 Ca 0.29 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3bx4 h GLU 46 Cb -0.01 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3bx4 h GLU 46 CO -0.05 0.84 0.25 1.49 -1.00 0.00 0.00 179.01 180.54 3bx4 h GLU 47 N 0.80 0.95 -0.66 2.33 4.81 -1.89 -1.89 114.58 119.04 3bx4 h GLU 47 Ca 0.16 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3bx4 h GLU 47 Cb 0.44 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3bx4 h GLU 47 CO 0.02 0.80 0.28 0.00 -0.73 0.00 0.00 179.01 179.38 3bx4 h ALA 48 N 1.10 0.85 -0.17 2.92 0.00 -1.08 -1.98 119.26 120.90 3bx4 h ALA 48 Ca 0.21 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3bx4 h ALA 48 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3bx4 h ALA 48 CO -0.02 0.45 0.07 -0.44 0.00 0.00 0.00 179.25 179.32 3bx4 h ASP 49 N 0.92 0.10 -0.44 0.00 3.32 -1.07 -1.36 116.42 117.88 3bx4 h ASP 49 Ca 0.22 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.36 3bx4 h ASP 49 Cb 0.18 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.66 3bx4 h ASP 49 CO -0.02 0.08 0.05 0.15 -1.72 0.00 0.00 179.24 177.78 3bx4 h PHE 50 N 0.16 0.07 -0.86 4.55 3.04 -1.13 -1.21 116.94 121.56 3bx4 h PHE 50 Ca 0.07 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 3bx4 h PHE 50 Cb 0.03 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.53 3bx4 h PHE 50 CO -0.10 -0.04 0.42 0.28 -2.02 0.00 0.00 178.31 176.85 3bx4 h VAL 51 N 0.17 1.26 0.00 1.41 2.07 -1.08 -1.46 116.25 118.62 3bx4 h VAL 51 Ca 0.22 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 3bx4 h VAL 51 Cb 0.30 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3bx4 h VAL 51 CO -0.32 0.32 -0.43 0.58 0.02 0.00 0.00 177.57 177.73 3bx4 h VAL 52 N 1.23 1.07 -0.10 2.57 2.07 -0.96 -1.47 116.25 120.64 3bx4 h VAL 52 Ca 0.30 -1.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 3bx4 h VAL 52 Cb 0.11 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3bx4 h VAL 52 CO -0.04 0.42 -0.19 0.11 0.02 0.00 0.00 177.57 177.90 3bx4 h LYS 53 N 0.00 0.17 -0.19 1.57 1.57 -0.21 -0.71 116.57 118.76 3bx4 h LYS 53 Ca -0.00 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 3bx4 h LYS 53 Cb 0.91 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3bx4 h LYS 53 CO 0.06 0.36 -0.51 -0.07 -0.57 0.00 0.00 179.45 178.71 3bx4 h LEU 54 N 0.16 0.78 0.00 2.94 4.07 -0.60 -3.32 115.31 119.34 3bx4 h LEU 54 Ca 0.03 -0.58 -0.20 0.00 0.08 0.00 0.00 57.88 57.21 3bx4 h LEU 54 Cb 0.43 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 3bx4 h LEU 54 CO 0.03 1.22 -0.95 0.71 -1.08 0.00 0.00 178.44 178.37 3bx4 h THR 55 N 0.38 1.57 -0.37 0.22 1.35 -1.08 -3.37 112.91 111.61 3bx4 h THR 55 Ca -0.01 -3.24 0.08 0.00 -0.55 0.00 0.00 66.41 62.69 3bx4 h THR 55 Cb 1.13 2.78 -0.07 0.00 -1.73 0.00 0.00 68.15 70.26 3bx4 h THR 55 CO 0.11 0.90 -0.11 0.03 -0.25 0.00 0.00 175.52 176.20 3bx4 h ARG 56 N 0.00 -0.03 -0.52 4.72 3.08 -1.01 -0.51 114.38 120.12 3bx4 h ARG 56 Ca -0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.07 3bx4 h ARG 56 Cb 1.72 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.74 3bx4 h ARG 56 CO 0.12 -0.02 0.30 -1.35 -1.07 0.00 0.00 179.97 177.95 3bx4 h PRO 57 N -0.03 0.57 0.00 0.04 0.11 -1.77 -2.78 132.00 128.14 3bx4 h PRO 57 Ca 0.18 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.13 3bx4 h PRO 57 Cb 0.30 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3bx4 h PRO 57 CO -0.40 0.38 -1.48 -2.13 -0.21 0.00 0.00 178.00 174.16 3bx4 n ARG 58 N -4.82 2.29 0.08 1.05 0.63 -1.18 -4.66 116.66 110.05 3bx4 n ARG 58 Ca 0.04 0.01 -0.04 0.00 -0.92 0.00 0.00 57.85 56.94 3bx4 n ARG 58 Cb 0.10 -1.18 -0.08 0.00 0.45 0.00 0.00 32.46 31.75 3bx4 n ARG 58 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3bx4 h LEU 59 N 0.00 0.00 0.00 6.15 4.07 -1.27 -3.48 115.31 120.78 3bx4 h LEU 59 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 3bx4 h LEU 59 Cb 1.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.14 3bx4 h LEU 59 CO 0.00 0.83 0.00 0.29 -1.08 0.00 0.00 178.44 178.48 3bx4 n LYS 60 N -3.27 0.00 -0.03 1.13 5.02 -0.95 -1.16 118.16 118.89 3bx4 n LYS 60 Ca -0.01 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.40 3bx4 n LYS 60 Cb 0.88 0.00 0.53 0.00 -0.02 0.00 0.00 35.03 36.42 3bx4 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bx4 n ALA 61 N 12.12 2.58 -1.66 7.82 0.00 -1.26 -2.38 120.51 137.72 3bx4 n ALA 61 Ca 0.00 -0.35 -0.37 0.00 0.00 0.00 0.00 53.44 52.72 3bx4 n ALA 61 Cb 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.29 3bx4 n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bx4 n ASN 62 N -0.20 1.44 -4.78 0.00 4.13 -0.31 -4.60 115.26 110.93 3bx4 n ASN 62 Ca 0.17 0.80 -0.36 0.00 1.68 0.00 0.00 54.58 56.87 3bx4 n ASN 62 Cb 0.23 -1.48 -0.02 0.00 -1.54 0.00 0.00 39.78 36.97 3bx4 n ASN 62 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3bx4 s LEU 63 N -3.39 3.98 -0.06 3.41 1.43 -1.26 -1.73 118.68 121.06 3bx4 s LEU 63 Ca 0.80 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 3bx4 s LEU 63 Cb -0.39 -4.32 0.02 0.00 0.03 0.00 0.00 46.19 41.53 3bx4 s LEU 63 CO 0.43 -0.83 -0.04 -0.69 0.23 0.00 0.00 176.35 175.45 3bx4 s VAL 64 N -1.67 0.59 0.41 -1.59 1.01 0.30 -1.29 120.40 118.15 3bx4 s VAL 64 Ca 0.64 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 3bx4 s VAL 64 Cb -0.25 -0.64 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 3bx4 s VAL 64 CO 0.30 0.26 1.18 0.26 0.00 0.00 0.00 175.10 177.10 3bx4 s TRP 65 N 1.32 3.02 0.40 5.22 0.23 -0.17 -0.51 118.94 128.44 3bx4 s TRP 65 Ca -0.04 1.54 0.07 0.00 -2.03 0.00 0.00 56.10 55.64 3bx4 s TRP 65 Cb -0.14 -3.41 -0.07 0.00 0.03 0.00 0.00 33.47 29.88 3bx4 s TRP 65 CO -0.02 -1.41 0.05 0.00 0.96 0.00 0.00 176.95 176.53 3bx4 s MET 66 N -2.35 2.03 0.00 4.98 0.23 -0.86 -4.00 119.30 119.32 3bx4 s MET 66 Ca 0.58 -2.00 0.00 0.00 -1.03 0.00 0.00 55.69 53.24 3bx4 s MET 66 Cb -0.31 -1.76 0.00 0.00 -1.53 0.00 0.00 34.83 31.23 3bx4 s MET 66 CO 0.39 -0.04 1.38 0.41 -2.03 0.00 0.00 175.02 175.12 3bx4 n GLY 67 N -1.03 1.93 3.11 3.16 0.00 0.06 -4.61 105.19 107.81 3bx4 n GLY 67 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3bx4 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bx4 s LEU 68 N 0.00 1.89 0.11 0.99 1.43 -1.26 -5.00 118.68 116.84 3bx4 s LEU 68 Ca 0.00 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3bx4 s LEU 68 Cb 0.00 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3bx4 s LEU 68 CO 0.00 0.06 -0.12 -0.94 0.23 0.00 0.00 176.35 175.58 3bx4 s SER 69 N 0.81 1.73 -1.21 2.29 1.04 -1.26 -1.77 113.70 115.32 3bx4 s SER 69 Ca -0.09 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 55.43 3bx4 s SER 69 Cb -0.16 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 3bx4 s SER 69 CO 0.00 -0.19 0.71 -3.20 0.98 0.00 0.00 173.24 171.55 3bx4 n ASN 70 N 0.62 -3.68 0.00 7.02 5.15 0.32 -4.86 115.26 119.83 3bx4 n ASN 70 Ca -0.16 -0.96 0.11 0.00 -0.60 0.00 0.00 54.58 52.97 3bx4 n ASN 70 Cb 0.57 -3.59 0.51 0.00 -0.53 0.00 0.00 39.78 36.75 3bx4 n ASN 70 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3bx4 n ILE 71 N -4.17 0.39 0.59 -1.44 -5.35 -0.48 -2.56 119.36 106.35 3bx4 n ILE 71 Ca -0.17 0.10 0.10 0.00 -0.27 0.00 0.00 62.75 62.50 3bx4 n ILE 71 Cb 0.63 -0.71 0.12 0.00 -1.74 0.00 0.00 39.64 37.94 3bx4 n ILE 71 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3bx4 n TRP 72 N -1.44 0.16 -3.79 4.28 5.03 -1.26 -4.86 117.44 115.56 3bx4 n TRP 72 Ca 0.07 -0.10 -0.37 0.00 3.03 0.00 0.00 57.50 60.13 3bx4 n TRP 72 Cb 0.24 -0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.46 3bx4 n TRP 72 CO 0.00 0.00 0.00 -1.58 -0.03 0.00 0.00 177.69 176.08 3bx4 s HIS 73 N -1.50 3.59 0.00 -5.99 2.46 -1.06 -4.24 115.29 108.56 3bx4 s HIS 73 Ca 0.26 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.36 3bx4 s HIS 73 Cb 0.17 -2.04 0.00 0.00 -0.13 0.00 0.00 32.58 30.58 3bx4 s HIS 73 CO 0.25 0.64 0.00 0.41 -2.47 0.00 0.00 174.74 173.57 3bx4 n GLY 74 N 2.23 0.81 0.35 1.59 0.00 -1.26 -4.98 105.19 103.93 3bx4 n GLY 74 Ca -0.18 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3bx4 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bx4 n ASN 76 N -0.11 -3.85 -4.73 0.00 5.15 -1.26 -4.92 115.26 105.55 3bx4 n ASN 76 Ca 0.17 -0.83 -0.42 0.00 -0.60 0.00 0.00 54.58 52.91 3bx4 n ASN 76 Cb 0.26 -4.29 -0.03 0.00 -0.53 0.00 0.00 39.78 35.19 3bx4 n ASN 76 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3bx4 s TRP 77 N -3.51 2.89 0.18 1.20 0.52 -1.26 -5.02 118.94 113.93 3bx4 s TRP 77 Ca 0.25 0.53 -0.00 0.00 0.02 0.00 0.00 56.10 56.90 3bx4 s TRP 77 Cb -0.06 -4.08 -0.04 0.00 -1.15 0.00 0.00 33.47 28.14 3bx4 s TRP 77 CO 0.80 -3.93 0.08 -0.65 0.02 0.00 0.00 176.95 173.27 3bx4 s GLN 78 N 0.65 1.10 0.05 4.98 -1.52 -1.26 -4.96 119.66 118.70 3bx4 s GLN 78 Ca 0.70 -1.56 -0.20 0.00 -1.95 0.00 0.00 55.36 52.36 3bx4 s GLN 78 Cb -0.48 0.15 -0.06 0.00 -0.22 0.00 0.00 33.01 32.39 3bx4 s GLN 78 CO 0.37 -0.30 0.58 -1.58 -0.25 0.00 0.00 175.29 174.10 3bx4 s TRP 79 N -4.02 3.77 0.58 0.91 0.52 -1.26 -4.97 118.94 114.47 3bx4 s TRP 79 Ca 0.31 1.25 0.32 0.00 0.02 0.00 0.00 56.10 58.01 3bx4 s TRP 79 Cb 0.07 -2.53 1.89 0.00 -1.15 0.00 0.00 33.47 31.75 3bx4 s TRP 79 CO 0.07 0.52 2.26 0.66 0.02 0.00 0.00 176.95 180.49 3bx4 h SER 80 N 4.83 0.00 -0.11 2.95 4.64 -2.01 -1.69 113.55 122.17 3bx4 h SER 80 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3bx4 h SER 80 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3bx4 h SER 80 CO 0.65 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.72 3bx4 n ASP 81 N -3.71 1.23 0.00 4.97 5.68 -1.26 -4.93 116.55 118.54 3bx4 n ASP 81 Ca -0.03 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 3bx4 n ASP 81 Cb 0.09 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3bx4 n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bx4 n GLY 82 N 1.06 0.39 3.73 6.12 0.00 -0.63 -5.02 105.19 110.83 3bx4 n GLY 82 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3bx4 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bx4 s ALA 83 N -1.91 2.28 0.30 4.61 0.00 -1.26 -4.96 121.76 120.82 3bx4 s ALA 83 Ca 0.00 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 3bx4 s ALA 83 Cb 0.00 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 3bx4 s ALA 83 CO 0.00 -1.67 1.27 1.03 0.00 0.00 0.00 175.76 176.40 3bx4 s ARG 84 N -3.61 4.41 -1.18 0.00 0.52 -1.26 -4.39 118.95 113.44 3bx4 s ARG 84 Ca 0.78 2.12 -0.09 0.00 -0.52 0.00 0.00 55.73 58.01 3bx4 s ARG 84 Cb -0.33 -3.12 0.23 0.00 0.52 0.00 0.00 34.95 32.25 3bx4 s ARG 84 CO 0.41 -0.13 1.49 -0.11 0.02 0.00 0.00 175.30 176.97 3bx4 n LEU 85 N 1.25 5.92 -0.07 2.53 7.94 -1.26 -4.69 117.00 128.62 3bx4 n LEU 85 Ca 0.01 -4.80 -0.07 0.00 -1.11 0.00 0.00 56.01 50.04 3bx4 n LEU 85 Cb 0.42 -1.48 -0.02 0.00 0.53 0.00 0.00 43.42 42.87 3bx4 n LEU 85 CO 0.58 1.25 -0.52 0.59 -1.11 0.00 0.00 177.39 178.18 3bx4 n ASN 86 N 3.57 1.69 -4.75 1.96 3.02 -1.26 -4.89 115.26 114.60 3bx4 n ASN 86 Ca 0.32 0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 54.84 3bx4 n ASN 86 Cb 0.38 -0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 38.79 3bx4 n ASN 86 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3bx4 s TYR 87 N -2.52 2.80 -0.01 3.10 6.14 -1.26 -5.02 117.35 120.58 3bx4 s TYR 87 Ca -0.22 0.81 0.03 0.00 0.64 0.00 0.00 57.07 58.33 3bx4 s TYR 87 Cb 0.03 -4.03 -0.01 0.00 0.42 0.00 0.00 41.96 38.37 3bx4 s TYR 87 CO 0.33 -3.47 -0.11 0.15 0.64 0.00 0.00 175.55 173.09 3bx4 s LYS 88 N -0.42 0.90 -0.39 4.97 1.02 -1.26 -5.06 119.74 119.50 3bx4 s LYS 88 Ca 0.63 -0.41 0.11 0.00 0.02 0.00 0.00 55.97 56.33 3bx4 s LYS 88 Cb -0.47 -0.87 0.37 0.00 -0.52 0.00 0.00 37.83 36.33 3bx4 s LYS 88 CO 0.47 0.24 0.93 -3.47 -0.92 0.00 0.00 175.35 172.60 3bx4 n ASP 89 N 2.78 -0.15 -4.77 2.83 2.03 -1.26 -5.12 116.55 112.90 3bx4 n ASP 89 Ca -0.14 -3.08 -0.38 0.00 0.52 0.00 0.00 54.79 51.71 3bx4 n ASP 89 Cb 0.56 0.22 -0.05 0.00 -0.72 0.00 0.00 41.12 41.13 3bx4 n ASP 89 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3bx4 s TRP 90 N -1.60 3.61 0.40 -0.67 0.52 -1.26 -5.02 118.94 114.92 3bx4 s TRP 90 Ca 0.31 1.75 -0.26 0.00 0.02 0.00 0.00 56.10 57.93 3bx4 s TRP 90 Cb 0.36 -3.09 -0.11 0.00 -1.15 0.00 0.00 33.47 29.48 3bx4 s TRP 90 CO -0.05 -0.17 1.19 0.94 0.02 0.00 0.00 176.95 178.88 3bx4 n GLN 91 N 0.76 1.78 -2.91 4.98 -0.06 -1.26 -4.90 117.38 115.78 3bx4 n GLN 91 Ca 0.01 0.63 -0.44 0.00 -2.00 0.00 0.00 57.00 55.21 3bx4 n GLN 91 Cb 0.48 -2.26 -0.02 0.00 -4.06 0.00 0.00 30.24 24.38 3bx4 n GLN 91 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 3bx4 s GLU 92 N -2.06 3.74 0.04 3.69 2.02 -1.26 -4.91 118.70 119.96 3bx4 s GLU 92 Ca 0.60 -1.96 -0.07 0.00 0.02 0.00 0.00 54.97 53.56 3bx4 s GLU 92 Cb -0.54 -4.99 -0.01 0.00 0.10 0.00 0.00 34.13 28.69 3bx4 s GLU 92 CO 0.59 -1.80 0.14 -0.65 0.02 0.00 0.00 175.26 173.55 3bx4 s GLN 93 N 2.53 0.64 0.04 1.61 -0.21 -1.26 -5.17 119.66 117.83 3bx4 s GLN 93 Ca 0.37 -0.72 -0.01 0.00 0.02 0.00 0.00 55.36 55.01 3bx4 s GLN 93 Cb -0.04 0.26 -0.03 0.00 1.00 0.00 0.00 33.01 34.20 3bx4 s GLN 93 CO -0.07 -0.17 -0.01 -1.54 -2.12 0.00 0.00 175.29 171.38 3bx4 s SER 94 N -2.15 0.35 0.14 5.90 1.04 -1.26 -5.07 113.70 112.65 3bx4 s SER 94 Ca -0.04 -0.75 0.11 0.00 0.48 0.00 0.00 55.95 55.75 3bx4 s SER 94 Cb -0.01 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 3bx4 s SER 94 CO -0.05 -0.48 -0.25 -1.61 0.98 0.00 0.00 173.24 171.83 3bx4 s GLU 95 N -2.83 1.46 0.26 4.02 2.02 -1.26 -1.47 118.70 120.90 3bx4 s GLU 95 Ca -0.03 -1.37 0.03 0.00 0.02 0.00 0.00 54.97 53.62 3bx4 s GLU 95 Cb 0.00 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.27 3bx4 s GLU 95 CO -0.06 0.44 0.04 0.00 0.02 0.00 0.00 175.26 175.71 3bx4 s LEU 97 N -3.35 3.78 0.17 0.00 1.43 -0.73 -0.67 118.68 119.31 3bx4 s LEU 97 Ca 0.33 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.48 3bx4 s LEU 97 Cb 0.07 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3bx4 s LEU 97 CO 0.12 0.26 0.17 0.00 0.23 0.00 0.00 176.35 177.13 3bx4 s ALA 98 N -1.18 0.61 0.22 4.21 0.00 -0.12 -2.04 121.76 123.46 3bx4 s ALA 98 Ca 0.23 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.89 3bx4 s ALA 98 Cb -0.12 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.96 3bx4 s ALA 98 CO 0.14 -0.58 0.05 -0.59 0.00 0.00 0.00 175.76 174.77 3bx4 s PHE 99 N -4.05 1.41 0.08 0.00 -0.71 0.33 -0.04 117.98 115.01 3bx4 s PHE 99 Ca 0.26 -1.09 -0.19 0.00 -1.04 0.00 0.00 56.93 54.87 3bx4 s PHE 99 Cb 0.06 -0.82 -0.07 0.00 -1.21 0.00 0.00 43.02 40.98 3bx4 s PHE 99 CO 0.04 -0.26 0.57 0.50 -1.34 0.00 0.00 175.22 174.73 3bx4 s ARG 100 N -3.97 4.17 0.34 1.99 3.52 -1.22 0.11 118.95 123.89 3bx4 s ARG 100 Ca 0.31 0.70 0.21 0.00 -0.13 0.00 0.00 55.73 56.82 3bx4 s ARG 100 Cb 0.07 -3.19 1.13 0.00 -1.56 0.00 0.00 34.95 31.40 3bx4 s ARG 100 CO 0.09 0.61 1.61 0.78 -0.81 0.00 0.00 175.30 177.59 3bx4 h GLY 101 N 4.39 0.00 0.61 8.12 0.00 -1.16 -1.14 103.07 113.89 3bx4 h GLY 101 Ca -0.50 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.54 3bx4 h GLY 101 CO 0.64 0.00 -1.93 -0.62 0.00 0.00 0.00 176.54 174.63 3bx4 n VAL 102 N -2.25 1.44 -4.06 4.60 0.31 -1.00 -2.93 118.33 114.43 3bx4 n VAL 102 Ca -0.01 -0.80 -0.13 0.00 -0.01 0.00 0.00 64.34 63.39 3bx4 n VAL 102 Cb 0.10 -0.77 -0.11 0.00 -0.91 0.00 0.00 33.84 32.15 3bx4 n VAL 102 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3bx4 s HIS 103 N -2.62 0.67 -0.55 3.52 3.76 -0.43 -5.02 115.29 114.62 3bx4 s HIS 103 Ca -0.06 -0.50 0.24 0.00 -0.15 0.00 0.00 55.06 54.59 3bx4 s HIS 103 Cb 0.08 -0.40 0.50 0.00 1.11 0.00 0.00 32.58 33.86 3bx4 s HIS 103 CO 0.83 -0.08 1.64 1.79 -0.85 0.00 0.00 174.74 178.06 3bx4 h THR 104 N 4.50 0.00 -3.55 1.30 1.35 -1.91 -3.22 112.91 111.38 3bx4 h THR 104 Ca -0.36 -0.79 -0.53 0.00 -0.55 0.00 0.00 66.41 64.18 3bx4 h THR 104 Cb 1.20 1.75 0.08 0.00 -1.73 0.00 0.00 68.15 69.45 3bx4 h THR 104 CO 0.41 0.00 0.80 -1.61 -0.25 0.00 0.00 175.52 174.87 3bx4 s GLU 105 N -3.17 4.18 0.53 4.72 8.01 -1.26 -4.93 118.70 126.78 3bx4 s GLU 105 Ca 0.08 2.47 -0.16 0.00 0.01 0.00 0.00 54.97 57.36 3bx4 s GLU 105 Cb 0.08 -3.04 -0.07 0.00 -4.31 0.00 0.00 34.13 26.79 3bx4 s GLU 105 CO 0.65 -0.50 1.00 -1.58 0.01 0.00 0.00 175.26 174.83 3bx4 s TRP 106 N -0.40 3.40 -0.01 1.61 0.51 -1.26 -4.32 118.94 118.47 3bx4 s TRP 106 Ca 0.58 1.47 0.00 0.00 -2.12 0.00 0.00 56.10 56.03 3bx4 s TRP 106 Cb -0.45 -2.82 0.01 0.00 -0.81 0.00 0.00 33.47 29.40 3bx4 s TRP 106 CO 0.51 -0.47 0.01 -0.51 -0.51 0.00 0.00 176.95 175.98 3bx4 s LEU 107 N -4.16 1.76 0.01 2.99 1.02 0.94 -4.97 118.68 116.27 3bx4 s LEU 107 Ca 0.59 0.01 -0.24 0.00 0.02 0.00 0.00 54.13 54.51 3bx4 s LEU 107 Cb -0.11 -0.02 -0.05 0.00 0.02 0.00 0.00 46.19 46.03 3bx4 s LEU 107 CO 0.33 -0.03 0.74 0.54 0.02 0.00 0.00 176.35 177.95 3bx4 s ASN 108 N 0.28 7.14 0.01 2.29 4.22 -1.26 -0.95 114.94 126.68 3bx4 s ASN 108 Ca -0.02 1.37 0.01 0.00 -2.14 0.00 0.00 52.86 52.07 3bx4 s ASN 108 Cb -0.03 -2.45 -0.01 0.00 1.28 0.00 0.00 41.25 40.03 3bx4 s ASN 108 CO -0.01 -0.02 -0.03 -0.04 -2.04 0.00 0.00 177.10 174.96 3bx4 s MET 109 N 0.18 0.27 0.17 3.55 -1.94 0.15 -4.97 119.30 116.71 3bx4 s MET 109 Ca 0.38 -0.38 -0.33 0.00 -1.71 0.00 0.00 55.69 53.65 3bx4 s MET 109 Cb -0.20 -0.08 -0.15 0.00 2.01 0.00 0.00 34.83 36.42 3bx4 s MET 109 CO 0.21 0.01 1.42 -3.47 -0.01 0.00 0.00 175.02 173.18 3bx4 n ASP 110 N 2.26 2.46 0.11 3.03 4.64 -1.26 0.22 116.55 128.00 3bx4 n ASP 110 Ca -0.18 1.12 0.09 0.00 -1.38 0.00 0.00 54.79 54.44 3bx4 n ASP 110 Cb 0.57 -1.35 0.44 0.00 -1.04 0.00 0.00 41.12 39.74 3bx4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3bx4 n SER 112 N -2.05 0.91 -4.62 0.00 3.41 -1.26 -2.14 113.62 107.87 3bx4 n SER 112 Ca 0.01 -0.72 -0.39 0.00 -0.26 0.00 0.00 58.87 57.50 3bx4 n SER 112 Cb 0.12 0.45 0.03 0.00 -0.26 0.00 0.00 64.21 64.56 3bx4 n SER 112 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3bx4 n SER 113 N -1.16 1.08 -4.64 4.04 7.64 -0.52 -4.69 113.62 115.36 3bx4 n SER 113 Ca 0.07 0.92 -0.34 0.00 1.01 0.00 0.00 58.87 60.52 3bx4 n SER 113 Cb 0.35 -1.38 -0.10 0.00 -1.01 0.00 0.00 64.21 62.08 3bx4 n SER 113 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3bx4 s THR 114 N -1.40 4.83 0.10 0.44 -4.23 -1.26 -3.77 115.64 110.34 3bx4 s THR 114 Ca 0.69 -0.02 0.01 0.00 -1.18 0.00 0.00 61.69 61.19 3bx4 s THR 114 Cb -0.48 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 3bx4 s THR 114 CO 0.52 0.46 -0.04 0.00 -0.54 0.00 0.00 174.62 175.02 3bx4 s SER 116 N -3.03 0.48 0.29 0.00 0.01 -0.41 -1.25 113.70 109.78 3bx4 s SER 116 Ca 0.13 0.48 -0.20 0.00 1.31 0.00 0.00 55.95 57.67 3bx4 s SER 116 Cb 0.06 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.71 3bx4 s SER 116 CO -0.05 -4.38 0.74 0.72 0.41 0.00 0.00 173.24 170.69 3bx4 s PHE 117 N -3.02 -0.14 -0.02 2.43 -0.12 -0.71 -1.00 117.98 115.40 3bx4 s PHE 117 Ca 0.72 -0.34 0.01 0.00 -0.05 0.00 0.00 56.93 57.27 3bx4 s PHE 117 Cb -0.07 0.72 0.01 0.00 -0.63 0.00 0.00 43.02 43.06 3bx4 s PHE 117 CO 0.56 -1.26 -0.03 0.08 -0.05 0.00 0.00 175.22 174.51 3bx4 s VAL 118 N -3.65 0.34 0.16 -2.49 1.01 -1.26 -0.38 120.40 114.13 3bx4 s VAL 118 Ca 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3bx4 s VAL 118 Cb -0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 3bx4 s VAL 118 CO 0.07 0.15 0.30 0.00 0.00 0.00 0.00 175.10 175.62 3bx4 s LYS 120 N -3.29 0.19 0.13 0.00 2.20 0.14 -1.53 119.74 117.58 3bx4 s LYS 120 Ca 0.35 0.25 -0.07 0.00 -0.36 0.00 0.00 55.97 56.14 3bx4 s LYS 120 Cb -0.11 0.07 -0.01 0.00 -1.51 0.00 0.00 37.83 36.27 3bx4 s LYS 120 CO 0.29 -0.04 0.20 -0.59 -0.36 0.00 0.00 175.35 174.85 3bx4 s PHE 121 N 0.19 0.39 -0.10 4.03 -0.71 -0.64 -1.88 117.98 119.26 3bx4 s PHE 121 Ca -0.01 -0.79 -0.23 0.00 -1.04 0.00 0.00 56.93 54.87 3bx4 s PHE 121 Cb -0.02 -0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 3bx4 s PHE 121 CO -0.00 -0.62 0.68 0.21 -1.34 0.00 0.00 175.22 174.15 3bx4 s LYS 122 N -3.94 4.38 0.00 1.99 2.20 -1.26 -0.03 119.74 123.08 3bx4 s LYS 122 Ca 0.14 0.81 0.20 0.00 -0.36 0.00 0.00 55.97 56.75 3bx4 s LYS 122 Cb 0.05 -3.48 1.17 0.00 -1.51 0.00 0.00 37.83 34.06 3bx4 s LYS 122 CO -0.04 -0.00 1.56 0.00 -0.36 0.00 0.00 175.35 176.51