#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4x h TYR 2 N 0.00 0.00 -0.15 2.03 -1.99 -1.99 0.16 116.97 115.03 3b4x h TYR 2 Ca 0.00 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.50 3b4x h TYR 2 Cb 0.00 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.74 3b4x h TYR 2 CO 0.00 0.00 -0.80 -0.44 -0.00 0.00 0.00 178.16 176.92 3b4x h ASP 3 N 0.00 0.95 -0.26 3.88 3.45 -2.04 -1.30 116.42 121.10 3b4x h ASP 3 Ca 0.02 -0.63 -0.01 0.00 0.43 0.00 0.00 57.03 56.84 3b4x h ASP 3 Cb 0.11 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 3b4x h ASP 3 CO -0.00 1.44 0.13 -0.25 -1.57 0.00 0.00 179.24 178.99 3b4x h TRP 4 N 0.54 0.37 -0.40 4.55 7.01 -1.34 -0.53 115.95 126.14 3b4x h TRP 4 Ca -0.06 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 60.97 3b4x h TRP 4 Cb 1.43 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 28.33 3b4x h TRP 4 CO 0.09 0.33 0.15 0.74 -2.79 0.00 0.00 178.44 176.96 3b4x h PHE 5 N 0.29 0.27 -0.63 2.65 0.05 -0.74 0.33 116.94 119.16 3b4x h PHE 5 Ca 0.09 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.88 3b4x h PHE 5 Cb 0.10 -0.06 -0.03 0.00 2.00 0.00 0.00 35.95 37.96 3b4x h PHE 5 CO -0.03 0.11 0.34 -0.22 -0.18 0.00 0.00 178.31 178.33 3b4x h LYS 6 N 0.32 0.88 -0.45 1.51 3.64 -0.97 0.39 116.57 121.89 3b4x h LYS 6 Ca 0.18 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 3b4x h LYS 6 Cb 0.16 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3b4x h LYS 6 CO -0.18 0.68 -0.03 0.37 -2.27 0.00 0.00 179.45 178.02 3b4x h GLN 7 N 0.86 0.76 0.01 1.90 4.15 -0.44 -2.76 115.11 119.59 3b4x h GLN 7 Ca 0.22 -0.22 -0.22 0.00 0.77 0.00 0.00 58.65 59.21 3b4x h GLN 7 Cb 0.06 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 3b4x h GLN 7 CO -0.03 0.79 -0.94 0.52 -1.93 0.00 0.00 178.83 177.24 3b4x h MET 8 N 0.71 0.34 -0.44 1.69 2.86 0.17 -2.62 114.93 117.64 3b4x h MET 8 Ca 0.13 -0.37 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 3b4x h MET 8 Cb 0.48 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3b4x h MET 8 CO 0.02 1.07 0.12 0.00 1.06 0.00 0.00 176.91 179.18 3b4x h ARG 9 N 0.18 0.65 0.04 1.72 3.08 -0.03 -0.07 114.38 119.97 3b4x h ARG 9 Ca -0.07 -0.11 -0.30 0.00 0.07 0.00 0.00 59.98 59.56 3b4x h ARG 9 Cb 1.58 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.48 3b4x h ARG 9 CO 0.16 0.59 -1.68 1.57 -1.07 0.00 0.00 179.97 179.53 3b4x h LYS 10 N 0.64 0.09 0.00 0.04 2.10 -1.53 -3.38 116.57 114.53 3b4x h LYS 10 Ca 0.15 -0.15 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 3b4x h LYS 10 Cb 0.22 0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.56 3b4x h LYS 10 CO -0.01 0.77 -2.03 -0.85 -2.00 0.00 0.00 179.45 175.33 3b4x n GLU 11 N -3.22 1.40 -2.94 0.07 0.28 -0.99 -4.85 120.64 110.38 3b4x n GLU 11 Ca -0.18 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.65 3b4x n GLU 11 Cb 1.04 -1.40 -0.00 0.00 1.43 0.00 0.00 31.44 32.51 3b4x n GLU 11 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3b4x n SER 12 N -2.53 -1.63 -0.11 -1.84 3.41 -0.26 -5.01 113.62 105.65 3b4x n SER 12 Ca -0.23 -3.02 0.10 0.00 -0.26 0.00 0.00 58.87 55.45 3b4x n SER 12 Cb 0.95 0.78 0.45 0.00 -0.26 0.00 0.00 64.21 66.14 3b4x n SER 12 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3b4x h PRO 13 N 4.07 0.50 -4.58 4.33 0.13 -1.26 -3.32 132.00 131.89 3b4x h PRO 13 Ca -0.04 -0.03 -0.67 0.00 -0.87 0.00 0.00 66.00 64.39 3b4x h PRO 13 Cb 0.97 -0.11 -0.38 0.00 0.13 0.00 0.00 31.00 31.60 3b4x h PRO 13 CO 0.37 0.33 -0.66 0.08 -0.23 0.00 0.00 178.00 177.89 3b4x s VAL 14 N -5.48 2.61 -0.06 1.56 1.01 -1.26 -1.61 120.40 117.17 3b4x s VAL 14 Ca -0.08 -2.30 0.05 0.00 0.00 0.00 0.00 61.98 59.65 3b4x s VAL 14 Cb 0.19 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3b4x s VAL 14 CO 0.75 -0.64 -0.23 -0.47 0.00 0.00 0.00 175.10 174.52 3b4x s TYR 15 N 0.92 2.28 -0.25 5.22 6.14 -0.25 -4.93 117.35 126.48 3b4x s TYR 15 Ca 0.10 -0.71 -0.13 0.00 0.64 0.00 0.00 57.07 56.98 3b4x s TYR 15 Cb -0.20 -1.51 -0.04 0.00 0.42 0.00 0.00 41.96 40.62 3b4x s TYR 15 CO -0.07 -0.23 0.26 -0.47 0.64 0.00 0.00 175.55 175.68 3b4x s TYR 16 N -0.04 3.29 -1.66 4.97 5.04 -1.26 0.76 117.35 128.45 3b4x s TYR 16 Ca -0.06 0.32 0.16 0.00 -2.44 0.00 0.00 57.07 55.05 3b4x s TYR 16 Cb -0.14 -2.41 0.52 0.00 0.35 0.00 0.00 41.96 40.29 3b4x s TYR 16 CO 0.04 -0.06 1.42 -0.40 -1.34 0.00 0.00 175.55 175.21 3b4x n ASP 17 N 4.72 3.35 0.00 4.32 5.68 -0.82 -4.89 116.55 128.90 3b4x n ASP 17 Ca -0.12 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.02 3b4x n ASP 17 Cb 0.52 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3b4x n ASP 17 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3b4x n GLY 18 N 1.20 2.10 0.22 6.12 0.00 -1.26 -4.79 105.19 108.78 3b4x n GLY 18 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3b4x n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3b4x n LYS 19 N -1.50 0.00 -4.08 1.61 3.00 -1.26 -5.12 118.16 110.81 3b4x n LYS 19 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 3b4x n LYS 19 Cb 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 35.03 34.40 3b4x n LYS 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3b4x s VAL 20 N -1.27 0.38 0.14 3.15 -7.23 -1.26 -4.70 120.40 109.61 3b4x s VAL 20 Ca 0.00 -1.45 -0.23 0.00 -1.81 0.00 0.00 61.98 58.49 3b4x s VAL 20 Cb 0.00 -1.04 -0.08 0.00 0.56 0.00 0.00 36.38 35.83 3b4x s VAL 20 CO 0.00 -0.70 0.71 0.26 -0.31 0.00 0.00 175.10 175.06 3b4x s TRP 21 N -2.65 3.87 -0.09 2.82 0.52 -0.39 -1.95 118.94 121.06 3b4x s TRP 21 Ca -0.01 1.51 0.04 0.00 0.02 0.00 0.00 56.10 57.66 3b4x s TRP 21 Cb -0.01 -2.68 0.00 0.00 -1.15 0.00 0.00 33.47 29.63 3b4x s TRP 21 CO -0.04 0.53 -0.22 -0.80 0.02 0.00 0.00 176.95 176.44 3b4x s ASN 22 N -1.16 2.91 -0.22 2.95 -0.87 0.23 0.53 114.94 119.31 3b4x s ASN 22 Ca 0.34 -0.52 -0.05 0.00 -1.57 0.00 0.00 52.86 51.06 3b4x s ASN 22 Cb -0.22 -1.28 -0.02 0.00 -0.02 0.00 0.00 41.25 39.71 3b4x s ASN 22 CO 0.24 0.15 0.01 -0.76 -2.57 0.00 0.00 177.10 174.17 3b4x s LEU 23 N 0.33 3.23 -0.00 0.60 1.43 0.03 -1.09 118.68 123.20 3b4x s LEU 23 Ca -0.17 -0.24 0.12 0.00 -1.03 0.00 0.00 54.13 52.81 3b4x s LEU 23 Cb -0.17 -1.83 -0.15 0.00 0.03 0.00 0.00 46.19 44.07 3b4x s LEU 23 CO 0.08 0.02 0.46 0.49 0.23 0.00 0.00 176.35 177.62 3b4x n PHE 24 N 4.56 0.00 -3.38 0.29 3.01 -0.63 -2.18 117.46 119.13 3b4x n PHE 24 Ca -0.17 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.91 3b4x n PHE 24 Cb 0.51 -0.07 -0.06 0.00 -0.01 0.00 0.00 39.48 39.86 3b4x n PHE 24 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3b4x s LYS 25 N -2.32 4.10 0.14 -1.08 -0.14 -1.26 -3.65 119.74 115.53 3b4x s LYS 25 Ca 0.02 0.56 -0.23 0.00 -1.36 0.00 0.00 55.97 54.96 3b4x s LYS 25 Cb 0.09 -3.26 0.01 0.00 -1.68 0.00 0.00 37.83 32.99 3b4x s LYS 25 CO 0.50 0.59 1.63 -0.92 -0.76 0.00 0.00 175.35 176.39 3b4x h TYR 26 N 4.93 -0.67 -0.79 3.18 3.20 -1.86 -1.13 116.97 123.83 3b4x h TYR 26 Ca -0.49 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.44 3b4x h TYR 26 Cb 1.21 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.76 3b4x h TYR 26 CO 0.68 -0.33 0.52 0.93 -1.64 0.00 0.00 178.16 178.33 3b4x h GLU 27 N -0.29 0.96 -0.26 1.82 4.39 -1.94 0.41 114.58 119.68 3b4x h GLU 27 Ca 0.12 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.60 3b4x h GLU 27 Cb 0.47 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3b4x h GLU 27 CO -0.35 0.64 -0.48 -0.44 -1.16 0.00 0.00 179.01 177.21 3b4x h ASP 28 N 0.99 0.77 -0.15 1.42 3.32 -1.85 -1.84 116.42 119.08 3b4x h ASP 28 Ca 0.31 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 3b4x h ASP 28 Cb 0.02 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 3b4x h ASP 28 CO -0.09 1.12 -0.03 0.00 -1.72 0.00 0.00 179.24 178.52 3b4x h LYS 30 N -0.02 0.74 0.03 0.00 3.64 -0.94 -1.33 116.57 118.69 3b4x h LYS 30 Ca 0.04 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3b4x h LYS 30 Cb 0.46 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3b4x h LYS 30 CO 0.01 0.49 -0.09 1.98 -2.27 0.00 0.00 179.45 179.57 3b4x h MET 31 N 0.76 -0.16 -0.69 1.90 4.05 -1.31 -1.66 114.93 117.81 3b4x h MET 31 Ca 0.20 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.66 3b4x h MET 31 Cb -0.09 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.71 3b4x h MET 31 CO -0.04 -0.11 0.44 0.28 0.23 0.00 0.00 176.91 177.71 3b4x h VAL 32 N -0.17 1.13 -0.63 -5.77 2.07 -1.14 -0.97 116.25 110.77 3b4x h VAL 32 Ca 0.02 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3b4x h VAL 32 Cb 0.20 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3b4x h VAL 32 CO -0.07 0.16 0.15 -0.07 0.02 0.00 0.00 177.57 177.76 3b4x h LEU 33 N 0.88 0.93 -0.29 2.57 3.38 -1.04 -3.04 115.31 118.70 3b4x h LEU 33 Ca 0.27 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 3b4x h LEU 33 Cb -0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3b4x h LEU 33 CO -0.09 0.90 -0.82 0.78 0.09 0.00 0.00 178.44 179.31 3b4x h ASN 34 N 0.94 0.00 -1.75 -0.43 2.35 -0.96 -3.39 115.58 112.35 3b4x h ASN 34 Ca 0.20 0.00 -0.73 0.00 -0.55 0.00 0.00 56.30 55.22 3b4x h ASN 34 Cb 0.34 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.56 3b4x h ASN 34 CO 0.00 0.82 1.68 -0.67 -1.65 0.00 0.00 177.43 177.61 3b4x n ASP 35 N -3.50 5.11 0.24 5.81 4.64 -0.40 -4.80 116.55 123.65 3b4x n ASP 35 Ca -0.00 -2.99 0.16 0.00 -1.38 0.00 0.00 54.79 50.57 3b4x n ASP 35 Cb 0.80 -1.58 0.59 0.00 -1.04 0.00 0.00 41.12 39.89 3b4x n ASP 35 CO 0.00 0.00 0.00 1.12 -0.82 0.00 0.00 177.20 177.50 3b4x h HIS 36 N 6.85 0.00 -0.16 -0.67 2.07 -1.76 -1.80 115.15 119.68 3b4x h HIS 36 Ca 0.36 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.75 3b4x h HIS 36 Cb 0.81 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.79 3b4x h HIS 36 CO 1.19 0.00 -0.43 0.87 -3.07 0.00 0.00 177.93 176.49 3b4x h LYS 37 N 0.00 0.58 0.00 5.12 1.57 -1.95 -3.30 116.57 118.59 3b4x h LYS 37 Ca 0.00 -0.40 -0.24 0.00 -1.87 0.00 0.00 60.65 58.14 3b4x h LYS 37 Cb 0.56 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 3b4x h LYS 37 CO 0.00 1.02 -1.41 0.00 -0.57 0.00 0.00 179.45 178.49 3b4x h ARG 38 N 0.23 0.00 -3.92 3.15 3.08 -1.94 -3.42 114.38 111.57 3b4x h ARG 38 Ca -0.01 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.38 3b4x h ARG 38 Cb 1.04 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.70 3b4x h ARG 38 CO 0.09 0.56 -0.60 -0.06 -1.07 0.00 0.00 179.97 178.89 3b4x s PHE 39 N -2.71 3.43 0.62 3.04 0.40 -0.68 -0.80 117.98 121.27 3b4x s PHE 39 Ca -0.02 -2.97 -0.14 0.00 -0.60 0.00 0.00 56.93 53.20 3b4x s PHE 39 Cb 0.09 -2.96 -0.03 0.00 0.51 0.00 0.00 43.02 40.62 3b4x s PHE 39 CO 0.82 -0.84 1.05 0.45 0.70 0.00 0.00 175.22 177.39 3b4x s SER 40 N 0.45 5.81 0.00 1.36 0.15 0.47 -4.33 113.70 117.61 3b4x s SER 40 Ca 0.14 1.69 0.13 0.00 0.70 0.00 0.00 55.95 58.61 3b4x s SER 40 Cb -0.23 -2.51 0.10 0.00 -1.71 0.00 0.00 66.02 61.67 3b4x s SER 40 CO -0.03 -1.15 0.90 -1.20 1.20 0.00 0.00 173.24 172.96 3b4x n SER 41 N -2.35 2.06 -3.68 5.45 7.64 -1.26 -1.33 113.62 120.15 3b4x n SER 41 Ca 0.08 -1.53 -0.43 0.00 1.01 0.00 0.00 58.87 58.00 3b4x n SER 41 Cb 0.53 -0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.69 3b4x n SER 41 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3b4x n ASN 42 N 0.70 3.05 -0.11 6.43 5.15 -1.26 -3.53 115.26 125.69 3b4x n ASN 42 Ca 0.07 -2.74 0.11 0.00 -0.60 0.00 0.00 54.58 51.42 3b4x n ASN 42 Cb 0.32 -1.33 0.06 0.00 -0.53 0.00 0.00 39.78 38.30 3b4x n ASN 42 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3b4x n LEU 43 N 7.02 1.03 -0.04 1.20 4.77 -1.26 -4.41 117.00 125.31 3b4x n LEU 43 Ca 0.50 -0.37 0.03 0.00 -0.03 0.00 0.00 56.01 56.14 3b4x n LEU 43 Cb 0.40 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3b4x n LEU 43 CO 0.98 0.23 0.48 0.35 -1.33 0.00 0.00 177.39 178.11 3b4x n THR 44 N -1.17 1.10 -1.02 -5.08 -2.24 -1.26 -4.99 114.28 99.62 3b4x n THR 44 Ca 0.06 -1.21 -0.01 0.00 -2.27 0.00 0.00 64.05 60.63 3b4x n THR 44 Cb 0.36 0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.93 3b4x n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b4x n GLY 45 N -0.69 0.47 0.36 3.38 0.00 -1.26 -4.95 105.19 102.51 3b4x n GLY 45 Ca 0.04 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 3b4x n GLY 45 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3b4x h TYR 46 N 0.00 -0.85 -0.77 1.61 -0.00 -1.79 -2.27 116.97 112.89 3b4x h TYR 46 Ca -0.02 -0.01 0.07 0.00 -0.00 0.00 0.00 58.73 58.77 3b4x h TYR 46 Cb 0.16 0.30 -0.06 0.00 -0.00 0.00 0.00 36.73 37.14 3b4x h TYR 46 CO 0.09 -0.49 0.45 -0.91 -0.00 0.00 0.00 178.16 177.30 3b4x h ASN 47 N -0.80 0.68 -0.69 -2.11 4.21 -1.93 -2.25 115.58 112.69 3b4x h ASN 47 Ca -0.06 0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.43 3b4x h ASN 47 Cb 0.66 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.72 3b4x h ASN 47 CO 0.06 0.43 0.26 0.44 -1.29 0.00 0.00 177.43 177.33 3b4x h ASP 48 N 0.81 0.98 -0.52 5.81 5.19 -1.93 -3.00 116.42 123.76 3b4x h ASP 48 Ca 0.35 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3b4x h ASP 48 Cb 0.22 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.48 3b4x h ASP 48 CO -0.19 0.88 0.00 2.29 -3.12 0.00 0.00 179.24 179.10 3b4x n LYS 49 N -4.28 4.15 -0.06 3.56 2.85 -0.87 -4.49 118.16 119.02 3b4x n LYS 49 Ca 0.06 -3.00 -0.09 0.00 -1.05 0.00 0.00 58.31 54.23 3b4x n LYS 49 Cb 0.19 -2.06 -0.02 0.00 -0.65 0.00 0.00 35.03 32.49 3b4x n LYS 49 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3b4x h LEU 50 N 3.49 0.19 -0.75 -5.58 5.85 -1.26 0.31 115.31 117.56 3b4x h LEU 50 Ca 0.00 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3b4x h LEU 50 Cb 1.70 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.64 3b4x h LEU 50 CO 0.36 0.14 0.43 -0.08 -0.34 0.00 0.00 178.44 178.95 3b4x h GLU 51 N 0.26 0.74 -0.49 1.25 4.81 -1.81 -0.47 114.58 118.87 3b4x h GLU 51 Ca 0.09 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3b4x h GLU 51 Cb 0.02 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3b4x h GLU 51 CO -0.06 0.49 0.22 1.98 -0.73 0.00 0.00 179.01 180.91 3b4x h MET 52 N 0.77 0.72 -0.26 1.92 4.05 -1.70 -2.19 114.93 118.24 3b4x h MET 52 Ca 0.34 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.64 3b4x h MET 52 Cb 0.23 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 3b4x h MET 52 CO -0.20 0.62 0.15 -0.07 0.23 0.00 0.00 176.91 177.64 3b4x h LEU 53 N 0.65 0.31 -0.34 3.39 3.38 -0.04 -2.87 115.31 119.79 3b4x h LEU 53 Ca 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3b4x h LEU 53 Cb 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3b4x h LEU 53 CO -0.02 0.27 0.00 0.54 0.09 0.00 0.00 178.44 179.33 3b4x n ARG 54 N -4.87 0.20 0.19 1.13 5.12 -0.27 -2.91 116.66 115.24 3b4x n ARG 54 Ca -0.02 0.31 0.06 0.00 -1.93 0.00 0.00 57.85 56.26 3b4x n ARG 54 Cb 0.06 -1.80 0.33 0.00 -1.16 0.00 0.00 32.46 29.88 3b4x n ARG 54 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 3b4x h SER 55 N 0.00 0.00 0.00 0.55 0.02 -1.16 -3.47 113.55 109.49 3b4x h SER 55 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3b4x h SER 55 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3b4x h SER 55 CO 0.00 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 3b4x n GLY 56 N 0.30 0.80 3.69 -3.77 0.00 -1.15 -5.08 105.19 99.98 3b4x n GLY 56 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3b4x n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b4x s LYS 57 N -0.42 4.26 -0.14 1.61 3.01 -1.19 -5.00 119.74 121.86 3b4x s LYS 57 Ca 0.00 2.04 -0.03 0.00 -1.01 0.00 0.00 55.97 56.97 3b4x s LYS 57 Cb 0.00 -3.61 -0.03 0.00 -1.01 0.00 0.00 37.83 33.18 3b4x s LYS 57 CO 0.00 -0.63 -0.04 0.14 0.51 0.00 0.00 175.35 175.33 3b4x s VAL 58 N 2.60 3.89 0.01 3.17 -7.23 -1.26 -4.61 120.40 116.97 3b4x s VAL 58 Ca 0.66 -0.36 -0.06 0.00 -1.81 0.00 0.00 61.98 60.41 3b4x s VAL 58 Cb -0.33 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 33.92 3b4x s VAL 58 CO 0.27 0.51 0.10 0.72 -0.31 0.00 0.00 175.10 176.39 3b4x s PHE 59 N 0.18 0.10 -0.01 2.82 -0.71 -1.26 -5.13 117.98 113.96 3b4x s PHE 59 Ca -0.02 -0.25 -0.30 0.00 -1.04 0.00 0.00 56.93 55.32 3b4x s PHE 59 Cb -0.14 -0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 3b4x s PHE 59 CO 0.03 -0.27 1.09 0.12 -1.34 0.00 0.00 175.22 174.84 3b4x s PHE 60 N -1.51 3.48 0.22 3.49 5.36 -1.26 -4.99 117.98 122.77 3b4x s PHE 60 Ca -0.14 1.47 -0.23 0.00 -0.96 0.00 0.00 56.93 57.07 3b4x s PHE 60 Cb -0.08 -3.27 0.04 0.00 -0.34 0.00 0.00 43.02 39.37 3b4x s PHE 60 CO 0.01 -0.66 0.83 0.34 -1.46 0.00 0.00 175.22 174.28 3b4x s ASP 61 N 1.13 -0.23 -0.12 6.13 -1.08 -1.26 -5.14 116.67 116.10 3b4x s ASP 61 Ca 0.54 -0.50 -0.20 0.00 -0.52 0.00 0.00 52.55 51.87 3b4x s ASP 61 Cb -0.24 0.61 -0.04 0.00 -1.46 0.00 0.00 42.92 41.80 3b4x s ASP 61 CO 0.25 -1.13 0.55 -0.51 0.52 0.00 0.00 175.17 174.85 3b4x s ILE 62 N -3.62 5.13 0.35 4.11 1.10 -1.26 -4.97 121.20 122.05 3b4x s ILE 62 Ca 0.11 1.09 0.14 0.00 -0.51 0.00 0.00 60.65 61.48 3b4x s ILE 62 Cb -0.04 -3.88 0.35 0.00 0.15 0.00 0.00 42.46 39.03 3b4x s ILE 62 CO 0.04 0.27 1.74 -0.65 -2.11 0.00 0.00 174.94 174.23 3b4x h PRO 63 N 6.88 0.47 0.00 3.50 0.11 -1.95 -2.05 132.00 138.96 3b4x h PRO 63 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3b4x h PRO 63 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3b4x h PRO 63 CO 0.76 0.31 0.00 0.25 -0.21 0.00 0.00 178.00 179.11 3b4x n THR 64 N -4.79 1.55 1.01 -1.15 -2.24 -1.26 -0.02 114.28 107.38 3b4x n THR 64 Ca 0.27 0.39 0.13 0.00 -2.27 0.00 0.00 64.05 62.57 3b4x n THR 64 Cb 0.83 -1.38 0.43 0.00 -2.10 0.00 0.00 70.33 68.10 3b4x n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3b4x n ARG 65 N -1.39 0.01 -3.18 -0.78 1.74 -0.77 -4.37 116.66 107.93 3b4x n ARG 65 Ca 0.00 -0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.81 3b4x n ARG 65 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 3b4x n ARG 65 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3b4x n TYR 66 N -1.49 3.42 -4.35 -1.55 4.01 0.97 -4.49 117.16 113.68 3b4x n TYR 66 Ca 0.06 -4.03 -0.18 0.00 -0.16 0.00 0.00 57.90 53.59 3b4x n TYR 66 Cb 0.34 -0.51 -0.10 0.00 -0.31 0.00 0.00 39.34 38.76 3b4x n TYR 66 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3b4x s THR 67 N -3.32 1.32 0.59 -0.72 -4.23 -1.26 -4.27 115.64 103.75 3b4x s THR 67 Ca 0.44 -2.08 0.41 0.00 -1.18 0.00 0.00 61.69 59.27 3b4x s THR 67 Cb 0.22 -2.29 0.42 0.00 1.34 0.00 0.00 72.50 72.20 3b4x s THR 67 CO -0.08 -0.39 2.31 0.00 -0.54 0.00 0.00 174.62 175.91 3b4x h MET 68 N 2.45 0.00 -0.50 3.99 -0.00 -1.94 -2.49 114.93 116.45 3b4x h MET 68 Ca -0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.31 3b4x h MET 68 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.80 3b4x h MET 68 CO 0.65 0.01 0.27 1.25 -0.00 0.00 0.00 176.91 179.09 3b4x h LEU 69 N 0.00 0.60 -4.92 -0.10 5.85 -1.95 -2.97 115.31 111.82 3b4x h LEU 69 Ca -0.00 -0.04 -0.65 0.00 0.84 0.00 0.00 57.88 58.03 3b4x h LEU 69 Cb 0.07 -0.15 -0.37 0.00 0.37 0.00 0.00 40.66 40.57 3b4x h LEU 69 CO 0.00 0.49 -0.16 0.35 -0.34 0.00 0.00 178.44 178.78 3b4x n THR 70 N -4.41 3.10 -3.91 1.05 -2.24 -0.94 -4.91 114.28 102.02 3b4x n THR 70 Ca 0.04 -5.00 -0.10 0.00 -2.27 0.00 0.00 64.05 56.71 3b4x n THR 70 Cb 0.10 -1.31 -0.11 0.00 -2.10 0.00 0.00 70.33 66.91 3b4x n THR 70 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3b4x s SER 71 N -2.78 0.10 0.20 3.42 1.04 -1.12 -4.28 113.70 110.27 3b4x s SER 71 Ca 0.48 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.71 3b4x s SER 71 Cb 0.37 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 3b4x s SER 71 CO -0.23 -0.28 0.15 -1.81 0.98 0.00 0.00 173.24 172.05 3b4x s ASP 72 N -1.17 5.47 0.81 7.02 1.01 -1.26 -4.60 116.67 123.95 3b4x s ASP 72 Ca -0.13 -0.19 -0.11 0.00 0.71 0.00 0.00 52.55 52.83 3b4x s ASP 72 Cb -0.07 -1.40 0.08 0.00 1.01 0.00 0.00 42.92 42.54 3b4x s ASP 72 CO 0.00 0.03 1.12 -2.16 0.21 0.00 0.00 175.17 174.37 3b4x s PRO 73 N -3.38 1.90 0.41 8.23 0.04 -1.26 -2.00 135.00 138.95 3b4x s PRO 73 Ca 0.31 1.34 0.22 0.00 0.04 0.00 0.00 61.00 62.92 3b4x s PRO 73 Cb -0.09 -1.84 0.77 0.00 0.04 0.00 0.00 34.50 33.38 3b4x s PRO 73 CO 0.24 -1.94 1.76 -1.00 0.04 0.00 0.00 177.00 176.10 3b4x h PRO 74 N -1.22 0.00 -0.67 0.56 0.13 -2.02 -3.45 132.00 125.34 3b4x h PRO 74 Ca -0.44 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.82 3b4x h PRO 74 Cb 1.25 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 3b4x h PRO 74 CO 0.48 0.27 -0.19 1.25 -0.23 0.00 0.00 178.00 179.59 3b4x h LEU 75 N 0.00 -0.69 -0.26 1.56 5.85 -1.93 -0.83 115.31 119.01 3b4x h LEU 75 Ca -0.00 0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.99 3b4x h LEU 75 Cb 0.85 0.44 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 3b4x h LEU 75 CO 0.04 -0.23 -0.27 -0.74 -0.34 0.00 0.00 178.44 176.90 3b4x h HIS 76 N -0.02 -0.72 -0.70 1.25 2.76 -1.65 -0.30 115.15 115.76 3b4x h HIS 76 Ca 0.31 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.54 3b4x h HIS 76 Cb 0.50 0.36 -0.04 0.00 1.55 0.00 0.00 27.41 29.78 3b4x h HIS 76 CO -0.56 -0.34 0.46 -0.44 -1.30 0.00 0.00 177.93 175.75 3b4x h ASP 77 N -0.26 0.79 -0.61 3.26 3.45 -1.57 -0.74 116.42 120.74 3b4x h ASP 77 Ca 0.14 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3b4x h ASP 77 Cb 0.49 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.03 3b4x h ASP 77 CO -0.42 0.57 0.40 -0.33 -1.57 0.00 0.00 179.24 177.89 3b4x h GLU 78 N 0.93 0.81 0.12 3.56 5.08 -0.64 -0.97 114.58 123.48 3b4x h GLU 78 Ca 0.26 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3b4x h GLU 78 Cb -0.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 28.99 3b4x h GLU 78 CO -0.07 0.55 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.36 3b4x h LEU 79 N 0.83 -0.13 -0.90 1.33 3.38 -0.66 -3.18 115.31 115.97 3b4x h LEU 79 Ca 0.22 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3b4x h LEU 79 Cb -0.08 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3b4x h LEU 79 CO -0.05 0.11 0.59 -0.09 0.09 0.00 0.00 178.44 179.08 3b4x h ARG 80 N -0.37 1.11 -0.34 1.13 2.43 -1.00 -2.36 114.38 114.98 3b4x h ARG 80 Ca -0.02 -0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.18 3b4x h ARG 80 Cb 0.30 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3b4x h ARG 80 CO 0.03 0.74 0.27 -0.91 -1.51 0.00 0.00 179.97 178.58 3b4x h ASN 81 N 1.15 0.00 -0.46 -3.80 -0.26 -1.16 0.48 115.58 111.53 3b4x h ASN 81 Ca 0.35 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 56.12 3b4x h ASN 81 Cb -0.02 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 3b4x h ASN 81 CO -0.11 0.00 0.30 0.25 -1.06 0.00 0.00 177.43 176.81 3b4x h LEU 82 N 0.00 0.47 -0.51 1.61 5.85 -1.43 -3.29 115.31 118.01 3b4x h LEU 82 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3b4x h LEU 82 Cb 0.70 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3b4x h LEU 82 CO -0.00 0.33 0.00 0.35 -0.34 0.00 0.00 178.44 178.78 3b4x n THR 83 N -4.47 0.00 -0.27 1.05 -2.24 -0.87 -4.86 114.28 102.61 3b4x n THR 83 Ca 0.04 -0.30 0.09 0.00 -2.27 0.00 0.00 64.05 61.61 3b4x n THR 83 Cb 0.11 1.33 0.23 0.00 -2.10 0.00 0.00 70.33 69.90 3b4x n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b4x h ALA 84 N 0.00 1.08 -0.89 6.98 0.00 -0.99 -1.67 119.26 123.77 3b4x h ALA 84 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3b4x h ALA 84 Cb 0.17 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3b4x h ALA 84 CO 0.00 -0.40 0.58 0.22 0.00 0.00 0.00 179.25 179.66 3b4x h ASP 85 N 0.23 0.93 0.27 0.00 3.58 -1.86 -1.65 116.42 117.92 3b4x h ASP 85 Ca 0.48 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.92 3b4x h ASP 85 Cb 0.89 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 3b4x h ASP 85 CO -0.59 0.63 -0.01 0.00 -2.88 0.00 0.00 179.24 176.38 3b4x h ALA 86 N 1.49 1.06 -0.26 -0.78 0.00 -1.67 -2.08 119.26 117.02 3b4x h ALA 86 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3b4x h ALA 86 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3b4x h ALA 86 CO -0.12 0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.33 3b4x n PHE 87 N -3.18 0.32 -2.44 0.00 3.01 -0.63 -4.48 117.46 110.07 3b4x n PHE 87 Ca -0.02 -0.16 -0.40 0.00 1.01 0.00 0.00 57.45 57.88 3b4x n PHE 87 Cb 0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.57 3b4x n PHE 87 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3b4x s ASN 88 N -1.68 7.18 0.25 4.37 3.84 -0.78 -4.56 114.94 123.57 3b4x s ASN 88 Ca 0.35 2.31 -0.12 0.00 0.21 0.00 0.00 52.86 55.61 3b4x s ASN 88 Cb 0.22 -2.63 0.36 0.00 -0.55 0.00 0.00 41.25 38.65 3b4x s ASN 88 CO 0.31 -0.21 1.57 -0.65 -2.79 0.00 0.00 177.10 175.34 3b4x h PRO 89 N 3.70 -0.01 0.00 0.43 0.11 -1.92 0.18 132.00 134.48 3b4x h PRO 89 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3b4x h PRO 89 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3b4x h PRO 89 CO 0.66 -0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 3b4x n SER 90 N -5.56 0.41 -0.45 -2.05 3.41 -1.26 -2.06 113.62 106.06 3b4x n SER 90 Ca 0.13 0.68 0.05 0.00 -0.26 0.00 0.00 58.87 59.47 3b4x n SER 90 Cb 0.45 -0.74 0.07 0.00 -0.26 0.00 0.00 64.21 63.72 3b4x n SER 90 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3b4x n ASN 91 N -2.04 2.09 -4.77 4.04 5.03 0.61 -5.02 115.26 115.19 3b4x n ASN 91 Ca -0.01 -1.56 -0.38 0.00 0.87 0.00 0.00 54.58 53.49 3b4x n ASN 91 Cb 0.04 -0.05 -0.04 0.00 -1.02 0.00 0.00 39.78 38.71 3b4x n ASN 91 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3b4x s LEU 92 N -0.88 4.31 -1.18 3.41 1.43 -0.87 -4.91 118.68 119.99 3b4x s LEU 92 Ca 0.14 2.19 -0.16 0.00 -1.03 0.00 0.00 54.13 55.27 3b4x s LEU 92 Cb 0.09 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 3b4x s LEU 92 CO 0.13 -0.40 2.17 -0.81 0.23 0.00 0.00 176.35 177.68 3b4x n PRO 93 N 0.45 2.36 -0.06 1.29 -0.04 -1.26 -4.77 135.00 132.97 3b4x n PRO 93 Ca 0.02 -2.19 -0.08 0.00 -0.04 0.00 0.00 63.50 61.21 3b4x n PRO 93 Cb 0.47 -3.04 -0.01 0.00 -0.04 0.00 0.00 33.50 30.87 3b4x n PRO 93 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3b4x h VAL 94 N 4.04 0.37 -0.77 0.52 2.07 -1.93 -1.84 116.25 118.71 3b4x h VAL 94 Ca 0.54 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.08 3b4x h VAL 94 Cb 0.58 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3b4x h VAL 94 CO 1.87 0.00 0.49 0.44 0.02 0.00 0.00 177.57 180.40 3b4x h ASP 95 N -0.24 0.83 -0.45 0.57 3.32 -2.00 -1.99 116.42 116.46 3b4x h ASP 95 Ca 0.15 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3b4x h ASP 95 Cb 0.47 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3b4x h ASP 95 CO -0.42 0.58 0.27 0.15 -1.72 0.00 0.00 179.24 178.11 3b4x h PHE 96 N 0.98 0.58 -0.23 4.55 3.57 -1.86 0.75 116.94 125.29 3b4x h PHE 96 Ca 0.30 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.84 3b4x h PHE 96 Cb -0.02 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 3b4x h PHE 96 CO -0.03 0.40 0.02 0.28 -2.23 0.00 0.00 178.31 176.76 3b4x h VAL 97 N 0.59 0.87 -0.37 1.41 2.07 -0.89 -0.32 116.25 119.61 3b4x h VAL 97 Ca 0.16 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 3b4x h VAL 97 Cb -0.01 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3b4x h VAL 97 CO -0.03 0.02 0.12 -0.09 0.02 0.00 0.00 177.57 177.61 3b4x h ARG 98 N 0.10 0.57 -0.32 1.57 2.43 -1.15 -1.43 114.38 116.15 3b4x h ARG 98 Ca 0.11 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3b4x h ARG 98 Cb 0.12 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3b4x h ARG 98 CO -0.16 0.59 0.19 0.93 -1.51 0.00 0.00 179.97 180.01 3b4x h GLU 99 N 0.45 0.39 -0.65 0.20 5.08 -0.53 -1.28 114.58 118.24 3b4x h GLU 99 Ca 0.12 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3b4x h GLU 99 Cb 0.25 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3b4x h GLU 99 CO -0.00 0.26 0.12 0.28 -1.00 0.00 0.00 179.01 178.66 3b4x h VAL 100 N 0.40 1.26 -0.13 3.13 2.07 -1.01 -2.42 116.25 119.55 3b4x h VAL 100 Ca 0.12 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3b4x h VAL 100 Cb -0.01 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3b4x h VAL 100 CO -0.05 0.38 0.05 0.74 0.02 0.00 0.00 177.57 178.70 3b4x h THR 101 N 0.99 0.97 -0.69 2.57 2.02 -0.94 -0.94 112.91 116.90 3b4x h THR 101 Ca 0.20 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 3b4x h THR 101 Cb 0.42 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 3b4x h THR 101 CO 0.01 0.02 0.34 0.58 0.37 0.00 0.00 175.52 176.85 3b4x h VAL 102 N 0.11 1.22 -0.54 3.16 2.07 -1.14 -2.16 116.25 118.98 3b4x h VAL 102 Ca 0.06 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 3b4x h VAL 102 Cb 0.03 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3b4x h VAL 102 CO -0.06 0.26 -0.07 0.11 0.02 0.00 0.00 177.57 177.83 3b4x h LYS 103 N 0.95 0.98 -0.57 1.57 1.57 -1.21 -2.08 116.57 117.79 3b4x h LYS 103 Ca 0.24 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3b4x h LYS 103 Cb 0.09 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3b4x h LYS 103 CO -0.03 1.01 0.18 -0.07 -0.57 0.00 0.00 179.45 179.96 3b4x h LEU 104 N 0.88 0.78 -0.37 2.94 3.38 -0.94 -2.48 115.31 119.51 3b4x h LEU 104 Ca 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3b4x h LEU 104 Cb 0.61 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3b4x h LEU 104 CO 0.04 0.74 0.00 -0.07 0.09 0.00 0.00 178.44 179.24 3b4x h LEU 105 N 0.82 0.00 -0.83 1.67 3.38 -1.14 -3.20 115.31 116.02 3b4x h LEU 105 Ca 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3b4x h LEU 105 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3b4x h LEU 105 CO -0.01 0.00 -0.29 0.77 0.09 0.00 0.00 178.44 179.00 3b4x h SER 106 N 0.00 0.00 -0.28 -0.43 4.64 -0.89 -3.22 113.55 113.37 3b4x h SER 106 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3b4x h SER 106 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3b4x h SER 106 CO 0.00 0.29 0.00 -0.62 -0.87 0.00 0.00 176.83 175.63 3b4x n GLU 107 N -3.37 2.82 -4.15 4.77 1.02 -1.21 -4.96 120.64 115.57 3b4x n GLU 107 Ca 0.01 -1.50 -0.32 0.00 -0.02 0.00 0.00 57.16 55.32 3b4x n GLU 107 Cb 0.50 -1.84 -0.07 0.00 -0.02 0.00 0.00 31.44 30.01 3b4x n GLU 107 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3b4x s LEU 108 N -1.31 3.76 0.70 -4.62 1.43 -1.22 -5.12 118.68 112.29 3b4x s LEU 108 Ca 0.26 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3b4x s LEU 108 Cb 0.20 -2.23 0.12 0.00 0.03 0.00 0.00 46.19 44.31 3b4x s LEU 108 CO 0.08 0.26 0.96 -1.81 0.23 0.00 0.00 176.35 176.06 3b4x s ASP 109 N -1.80 4.47 0.09 2.29 -0.00 -1.26 -4.97 116.67 115.49 3b4x s ASP 109 Ca 0.23 -0.46 0.13 0.00 -0.00 0.00 0.00 52.55 52.45 3b4x s ASP 109 Cb -0.12 0.06 0.59 0.00 -0.00 0.00 0.00 42.92 43.45 3b4x s ASP 109 CO 0.14 -1.78 1.41 -1.84 -0.00 0.00 0.00 175.17 173.10 3b4x n GLU 110 N -2.73 0.06 -3.74 8.23 -0.00 -1.26 -4.45 120.64 116.75 3b4x n GLU 110 Ca 0.15 0.41 -0.15 0.00 -0.00 0.00 0.00 57.16 57.56 3b4x n GLU 110 Cb 0.61 -1.63 -0.16 0.00 -0.00 0.00 0.00 31.44 30.26 3b4x n GLU 110 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3b4x s GLU 111 N -3.14 0.00 0.17 3.44 2.12 -1.26 -0.14 118.70 119.89 3b4x s GLU 111 Ca 0.03 0.31 -0.23 0.00 0.36 0.00 0.00 54.97 55.44 3b4x s GLU 111 Cb 0.06 -0.27 0.06 0.00 0.26 0.00 0.00 34.13 34.25 3b4x s GLU 111 CO 0.21 -0.21 0.68 -0.59 -0.54 0.00 0.00 175.26 174.81 3b4x s PHE 112 N 1.38 -0.42 -0.30 5.30 -0.71 -0.81 -4.99 117.98 117.44 3b4x s PHE 112 Ca -0.06 0.15 -0.20 0.00 -1.04 0.00 0.00 56.93 55.79 3b4x s PHE 112 Cb -0.12 0.60 -0.01 0.00 -1.21 0.00 0.00 43.02 42.27 3b4x s PHE 112 CO -0.04 -0.91 0.60 0.34 -1.34 0.00 0.00 175.22 173.87 3b4x s ASP 113 N -2.77 6.47 0.51 1.98 2.15 -1.26 -0.94 116.67 122.82 3b4x s ASP 113 Ca 0.04 0.40 0.31 0.00 0.43 0.00 0.00 52.55 53.74 3b4x s ASP 113 Cb -0.02 -2.32 1.16 0.00 -0.30 0.00 0.00 42.92 41.44 3b4x s ASP 113 CO -0.07 -0.45 1.90 -0.37 -0.17 0.00 0.00 175.17 176.01 3b4x h VAL 114 N 5.53 0.00 0.30 1.11 -1.51 -1.50 -2.59 116.25 117.58 3b4x h VAL 114 Ca -0.27 -0.59 -0.01 0.00 -1.23 0.00 0.00 66.70 64.60 3b4x h VAL 114 Cb 1.12 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 3b4x h VAL 114 CO 0.79 0.00 -0.14 0.40 -1.23 0.00 0.00 177.57 177.38 3b4x h ILE 115 N 0.00 0.00 -0.28 7.19 1.08 -1.91 0.22 117.51 123.81 3b4x h ILE 115 Ca 0.00 -0.47 -0.08 0.00 -0.39 0.00 0.00 64.86 63.92 3b4x h ILE 115 Cb 0.60 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 3b4x h ILE 115 CO 0.00 0.00 -0.17 -0.33 -0.69 0.00 0.00 178.15 176.96 3b4x h GLU 116 N -0.87 0.50 0.00 2.37 4.39 -1.85 0.91 114.58 120.02 3b4x h GLU 116 Ca -0.04 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3b4x h GLU 116 Cb 0.31 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3b4x h GLU 116 CO 0.07 0.65 -0.64 -1.13 -1.16 0.00 0.00 179.01 176.80 3b4x n SER 117 N -4.17 0.69 0.15 1.42 3.41 -0.98 -4.53 113.62 109.61 3b4x n SER 117 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3b4x n SER 117 Cb 0.35 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3b4x n SER 117 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3b4x n PHE 118 N -2.09 -2.78 -0.29 7.33 -0.00 -0.92 -4.84 117.46 113.88 3b4x n PHE 118 Ca 0.03 0.58 0.06 0.00 -0.00 0.00 0.00 57.45 58.12 3b4x n PHE 118 Cb 0.44 0.97 0.28 0.00 -0.00 0.00 0.00 39.48 41.16 3b4x n PHE 118 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3b4x h ALA 119 N 0.00 1.59 0.16 3.13 0.00 -0.40 -2.59 119.26 121.15 3b4x h ALA 119 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3b4x h ALA 119 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3b4x h ALA 119 CO 0.00 0.26 -0.08 0.82 0.00 0.00 0.00 179.25 180.25 3b4x h ILE 120 N 0.94 0.66 -0.33 0.00 2.04 -1.04 -3.38 117.51 116.40 3b4x h ILE 120 Ca 0.40 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3b4x h ILE 120 Cb 0.31 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3b4x h ILE 120 CO -0.16 0.18 0.02 1.55 0.00 0.00 0.00 178.15 179.75 3b4x h PRO 121 N -0.95 0.49 0.50 2.37 0.13 -1.79 -3.26 132.00 129.51 3b4x h PRO 121 Ca -0.02 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 3b4x h PRO 121 Cb 0.47 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 3b4x h PRO 121 CO 0.04 0.50 -0.38 1.25 -0.23 0.00 0.00 178.00 179.18 3b4x h LEU 122 N 0.48 -0.99 -0.95 1.56 5.85 -1.64 -0.24 115.31 119.38 3b4x h LEU 122 Ca 0.11 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3b4x h LEU 122 Cb 0.27 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3b4x h LEU 122 CO 0.01 -0.56 0.41 -0.65 -0.34 0.00 0.00 178.44 177.31 3b4x h PRO 123 N -0.86 1.16 -0.60 5.25 0.11 -1.75 -1.49 132.00 133.82 3b4x h PRO 123 Ca -0.05 -0.15 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 3b4x h PRO 123 Cb 0.73 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 3b4x h PRO 123 CO 0.01 0.87 0.30 0.82 -0.21 0.00 0.00 178.00 179.80 3b4x h ILE 124 N 1.15 1.21 -0.33 4.15 2.04 -1.56 0.41 117.51 124.57 3b4x h ILE 124 Ca 0.28 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 3b4x h ILE 124 Cb 0.08 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3b4x h ILE 124 CO -0.04 0.23 -0.26 -0.07 0.00 0.00 0.00 178.15 178.01 3b4x h LEU 125 N 0.82 0.67 -0.13 1.44 3.38 -0.73 -1.99 115.31 118.77 3b4x h LEU 125 Ca 0.21 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3b4x h LEU 125 Cb 0.09 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3b4x h LEU 125 CO -0.03 0.91 -0.22 0.58 0.09 0.00 0.00 178.44 179.77 3b4x h VAL 126 N 0.57 1.37 -0.04 1.22 2.07 -0.91 -2.52 116.25 118.02 3b4x h VAL 126 Ca 0.08 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.03 3b4x h VAL 126 Cb 0.74 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3b4x h VAL 126 CO 0.06 0.43 -0.41 -0.29 0.02 0.00 0.00 177.57 177.37 3b4x h ILE 127 N -0.04 1.30 -0.41 4.57 6.09 -0.94 -2.21 117.51 125.87 3b4x h ILE 127 Ca 0.01 -1.46 -0.08 0.00 -1.37 0.00 0.00 64.86 61.96 3b4x h ILE 127 Cb 0.79 1.74 -0.02 0.00 0.47 0.00 0.00 36.82 39.81 3b4x h ILE 127 CO 0.05 0.42 -0.08 0.28 -3.07 0.00 0.00 178.15 175.76 3b4x h SER 128 N 0.07 0.69 -0.30 2.19 0.02 -1.35 0.43 113.55 115.29 3b4x h SER 128 Ca 0.00 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 3b4x h SER 128 Cb 0.76 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3b4x h SER 128 CO 0.06 0.81 0.01 0.50 -1.14 0.00 0.00 176.83 177.07 3b4x h LYS 129 N 0.65 0.52 -0.18 3.45 1.63 -0.99 0.23 116.57 121.90 3b4x h LYS 129 Ca 0.12 -0.16 -0.11 0.00 -0.85 0.00 0.00 60.65 59.65 3b4x h LYS 129 Cb 0.52 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 3b4x h LYS 129 CO 0.03 0.66 -0.36 0.52 -3.45 0.00 0.00 179.45 176.84 3b4x h MET 130 N 0.32 0.37 -0.02 1.90 2.86 -1.21 -2.66 114.93 116.51 3b4x h MET 130 Ca 0.09 -0.17 -0.15 0.00 -2.06 0.00 0.00 59.70 57.41 3b4x h MET 130 Cb 0.41 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3b4x h MET 130 CO 0.01 0.69 -0.67 -0.07 1.06 0.00 0.00 176.91 177.93 3b4x h LEU 131 N 0.32 0.11 0.00 1.22 3.38 -0.71 -2.06 115.31 117.57 3b4x h LEU 131 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3b4x h LEU 131 Cb 0.79 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3b4x h LEU 131 CO 0.06 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.95 3b4x n GLY 132 N 0.41 0.81 3.62 0.83 0.00 0.70 -2.31 105.19 109.25 3b4x n GLY 132 Ca -0.02 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 3b4x n GLY 132 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3b4x s ILE 133 N -2.00 3.53 -0.42 -0.61 -4.36 -0.54 -5.01 121.20 111.79 3b4x s ILE 133 Ca 0.00 -1.35 -0.25 0.00 -0.26 0.00 0.00 60.65 58.79 3b4x s ILE 133 Cb 0.00 -2.71 0.02 0.00 1.25 0.00 0.00 42.46 41.02 3b4x s ILE 133 CO 0.00 0.00 0.87 0.20 0.24 0.00 0.00 174.94 176.25 3b4x s ASN 134 N -2.57 6.54 -0.48 4.36 0.02 -1.26 -4.45 114.94 117.10 3b4x s ASN 134 Ca 0.24 0.24 -0.26 0.00 -1.02 0.00 0.00 52.86 52.07 3b4x s ASN 134 Cb -0.10 -2.43 -0.07 0.00 0.02 0.00 0.00 41.25 38.67 3b4x s ASN 134 CO 0.16 -0.91 2.41 -2.16 0.02 0.00 0.00 177.10 176.61 3b4x s PRO 135 N 3.47 2.13 -1.12 -0.60 0.04 -1.26 -4.94 135.00 132.72 3b4x s PRO 135 Ca 0.35 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 3b4x s PRO 135 Cb -0.11 -4.58 0.22 0.00 0.04 0.00 0.00 34.50 30.06 3b4x s PRO 135 CO 0.22 -3.24 1.23 0.34 0.04 0.00 0.00 177.00 175.59 3b4x s ASP 136 N 12.08 7.13 0.20 6.66 -1.08 -1.26 -4.92 116.67 135.47 3b4x s ASP 136 Ca 0.98 -3.16 -0.17 0.00 -0.52 0.00 0.00 52.55 49.68 3b4x s ASP 136 Cb -0.18 -2.31 0.18 0.00 -1.46 0.00 0.00 42.92 39.16 3b4x s ASP 136 CO 0.26 -0.57 1.37 0.52 0.52 0.00 0.00 175.17 177.27 3b4x n VAL 137 N 3.84 -0.48 -0.16 1.11 0.31 -1.26 -1.07 118.33 120.62 3b4x n VAL 137 Ca 0.29 2.07 -0.05 0.00 -0.01 0.00 0.00 64.34 66.64 3b4x n VAL 137 Cb 0.42 -2.72 0.04 0.00 -0.91 0.00 0.00 33.84 30.67 3b4x n VAL 137 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3b4x h LYS 138 N 0.00 0.51 -0.10 5.55 1.63 -1.99 0.11 116.57 122.29 3b4x h LYS 138 Ca 0.29 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3b4x h LYS 138 Cb 0.51 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 3b4x h LYS 138 CO -0.87 0.34 0.05 -0.22 -3.45 0.00 0.00 179.45 175.30 3b4x h LYS 139 N 0.53 0.14 -0.80 1.90 1.63 -1.52 0.08 116.57 118.53 3b4x h LYS 139 Ca 0.20 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 3b4x h LYS 139 Cb 0.06 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 3b4x h LYS 139 CO -0.11 0.18 0.41 0.28 -3.45 0.00 0.00 179.45 176.76 3b4x h VAL 140 N 0.06 1.24 -0.31 2.00 2.07 -0.91 -1.78 116.25 118.62 3b4x h VAL 140 Ca 0.03 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 3b4x h VAL 140 Cb 0.08 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3b4x h VAL 140 CO -0.01 0.28 0.06 0.50 0.02 0.00 0.00 177.57 178.42 3b4x h LYS 141 N 1.12 0.51 -0.85 1.57 1.63 -0.47 -0.81 116.57 119.27 3b4x h LYS 141 Ca 0.28 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 59.97 3b4x h LYS 141 Cb 0.06 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.59 3b4x h LYS 141 CO -0.04 0.60 0.56 -0.44 -3.45 0.00 0.00 179.45 176.67 3b4x h ASP 142 N 0.34 0.95 -0.46 4.20 3.45 -0.65 -0.69 116.42 123.56 3b4x h ASP 142 Ca 0.09 -0.02 -0.14 0.00 0.43 0.00 0.00 57.03 57.40 3b4x h ASP 142 Cb 0.33 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 3b4x h ASP 142 CO 0.00 0.68 -0.25 -0.50 -1.57 0.00 0.00 179.24 177.60 3b4x h TRP 143 N 1.12 1.14 -0.47 4.55 6.55 -1.19 -0.60 115.95 127.05 3b4x h TRP 143 Ca 0.32 -0.29 0.01 0.00 0.95 0.00 0.00 58.89 59.89 3b4x h TRP 143 Cb -0.08 -0.26 -0.03 0.00 -0.86 0.00 0.00 29.16 27.93 3b4x h TRP 143 CO -0.02 1.12 0.29 0.77 -1.05 0.00 0.00 178.44 179.56 3b4x h SER 144 N 0.83 0.49 -0.38 -3.49 0.02 -0.63 -2.08 113.55 108.31 3b4x h SER 144 Ca 0.10 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 3b4x h SER 144 Cb 0.84 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3b4x h SER 144 CO 0.07 0.35 -0.24 0.44 -1.14 0.00 0.00 176.83 176.32 3b4x h ASP 145 N 0.59 0.91 -0.91 3.07 3.32 -1.06 0.27 116.42 122.62 3b4x h ASP 145 Ca 0.18 -0.35 0.14 0.00 0.02 0.00 0.00 57.03 57.02 3b4x h ASP 145 Cb -0.02 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 39.19 3b4x h ASP 145 CO -0.07 1.11 0.53 0.25 -1.72 0.00 0.00 179.24 179.34 3b4x h LEU 146 N 0.77 0.71 0.00 1.55 5.85 -0.63 0.89 115.31 124.45 3b4x h LEU 146 Ca 0.10 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3b4x h LEU 146 Cb 0.79 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3b4x h LEU 146 CO 0.07 0.34 -0.57 0.58 -0.34 0.00 0.00 178.44 178.52 3b4x h VAL 147 N 0.78 0.65 -0.72 1.05 2.07 -1.23 -3.39 116.25 115.47 3b4x h VAL 147 Ca 0.48 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 66.37 3b4x h VAL 147 Cb 0.59 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3b4x h VAL 147 CO -0.32 0.22 0.46 0.00 0.02 0.00 0.00 177.57 177.95 3b4x h ALA 148 N -0.64 0.94 0.00 1.67 0.00 -0.42 -2.47 119.26 118.34 3b4x h ALA 148 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3b4x h ALA 148 Cb 0.78 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3b4x h ALA 148 CO -0.07 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.71 3b4x n LEU 149 N -4.64 0.00 -0.41 0.00 4.77 0.30 -1.91 117.00 115.10 3b4x n LEU 149 Ca 0.08 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 3b4x n LEU 149 Cb 0.08 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3b4x n LEU 149 CO 0.33 0.00 0.26 0.54 -1.33 0.00 0.00 177.39 177.19 3b4x n ARG 150 N -0.86 1.31 -2.03 3.23 1.74 -0.93 -4.86 116.66 114.27 3b4x n ARG 150 Ca 0.10 -0.84 -0.41 0.00 -0.77 0.00 0.00 57.85 55.92 3b4x n ARG 150 Cb 0.04 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 3b4x n ARG 150 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3b4x s LEU 151 N -2.38 4.39 0.00 0.55 1.43 -0.81 -1.61 118.68 120.25 3b4x s LEU 151 Ca 0.16 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 3b4x s LEU 151 Cb 0.16 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3b4x s LEU 151 CO 0.54 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3b4x n GLY 152 N 2.49 2.80 3.57 -3.19 0.00 -1.26 -4.47 105.19 105.13 3b4x n GLY 152 Ca 0.08 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3b4x n GLY 152 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b4x s ARG 153 N 0.00 3.67 0.00 1.61 1.81 -0.63 -4.95 118.95 120.46 3b4x s ARG 153 Ca 0.00 -1.50 0.00 0.00 -1.72 0.00 0.00 55.73 52.51 3b4x s ARG 153 Cb 0.00 -5.42 0.00 0.00 -0.45 0.00 0.00 34.95 29.08 3b4x s ARG 153 CO 0.00 -2.38 0.00 0.00 -0.68 0.00 0.00 175.30 172.24 3b4x n ALA 154 N 9.19 0.00 -1.19 2.13 0.00 -1.26 -1.55 120.51 127.83 3b4x n ALA 154 Ca 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.76 3b4x n ALA 154 Cb 0.48 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.17 3b4x n ALA 154 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3b4x n ASP 155 N 0.00 3.91 0.12 0.00 4.64 -1.26 -4.60 116.55 119.36 3b4x n ASP 155 Ca 0.00 -3.45 0.01 0.00 -1.38 0.00 0.00 54.79 49.97 3b4x n ASP 155 Cb 0.00 -0.74 -0.00 0.00 -1.04 0.00 0.00 41.12 39.34 3b4x n ASP 155 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3b4x h GLU 156 N 1.71 0.00 0.00 -0.67 5.08 -1.55 -3.29 114.58 115.86 3b4x h GLU 156 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3b4x h GLU 156 Cb 2.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.54 3b4x h GLU 156 CO 0.74 0.56 0.00 1.51 -1.00 0.00 0.00 179.01 180.82 3b4x n ILE 157 N -3.23 0.68 -0.22 3.13 0.13 -1.26 -0.96 119.36 117.63 3b4x n ILE 157 Ca 0.01 0.17 0.04 0.00 -1.10 0.00 0.00 62.75 61.87 3b4x n ILE 157 Cb 0.77 -0.97 0.11 0.00 -0.84 0.00 0.00 39.64 38.71 3b4x n ILE 157 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 3b4x n PHE 158 N -1.28 0.33 -3.66 9.51 0.99 -1.24 -4.98 117.46 117.13 3b4x n PHE 158 Ca 0.06 -0.55 -0.37 0.00 -0.00 0.00 0.00 57.45 56.58 3b4x n PHE 158 Cb 0.10 -0.06 -0.06 0.00 -1.00 0.00 0.00 39.48 38.45 3b4x n PHE 158 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3b4x s SER 159 N -1.15 6.61 0.05 4.37 1.04 -0.14 -4.80 113.70 119.68 3b4x s SER 159 Ca 0.17 0.72 0.03 0.00 0.48 0.00 0.00 55.95 57.35 3b4x s SER 159 Cb 0.10 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.02 3b4x s SER 159 CO 0.10 0.34 0.02 -0.63 0.98 0.00 0.00 173.24 174.05 3b4x s ILE 160 N -0.91 4.23 0.00 -1.02 1.01 -1.26 -5.01 121.20 118.23 3b4x s ILE 160 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3b4x s ILE 160 Cb -0.14 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3b4x s ILE 160 CO 0.09 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3b4x n GLY 161 N 0.89 4.06 0.13 6.18 0.00 -1.26 -5.00 105.19 110.19 3b4x n GLY 161 Ca -0.12 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 3b4x n GLY 161 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3b4x h ARG 162 N 0.00 0.35 -0.26 1.61 3.08 -1.99 -0.78 114.38 116.38 3b4x h ARG 162 Ca 0.00 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3b4x h ARG 162 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3b4x h ARG 162 CO 0.00 0.45 -0.14 0.87 -1.07 0.00 0.00 179.97 180.08 3b4x h LYS 163 N 0.18 0.44 -0.15 0.04 1.57 -1.99 -1.41 116.57 115.25 3b4x h LYS 163 Ca 0.07 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 3b4x h LYS 163 Cb 0.25 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3b4x h LYS 163 CO -0.00 0.57 -0.65 -0.92 -0.57 0.00 0.00 179.45 177.89 3b4x h TYR 164 N 0.40 0.74 -0.19 -1.35 5.03 -1.91 -2.20 116.97 117.49 3b4x h TYR 164 Ca 0.07 -0.29 -0.10 0.00 2.58 0.00 0.00 58.73 61.00 3b4x h TYR 164 Cb 0.49 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 3b4x h TYR 164 CO 0.01 1.06 -0.30 -0.07 -1.32 0.00 0.00 178.16 177.54 3b4x h LEU 165 N 0.41 0.38 -0.64 2.82 3.38 -0.79 -1.03 115.31 119.85 3b4x h LEU 165 Ca -0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3b4x h LEU 165 Cb 1.22 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3b4x h LEU 165 CO 0.12 0.67 0.18 -0.08 0.09 0.00 0.00 178.44 179.42 3b4x h GLU 166 N 0.33 1.01 -0.17 1.13 4.81 -1.07 -0.50 114.58 120.12 3b4x h GLU 166 Ca 0.05 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3b4x h GLU 166 Cb 0.69 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3b4x h GLU 166 CO 0.05 0.90 0.03 1.25 -0.73 0.00 0.00 179.01 180.50 3b4x h LEU 167 N 0.93 0.27 -0.99 1.64 5.85 -0.87 -1.33 115.31 120.81 3b4x h LEU 167 Ca 0.20 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 3b4x h LEU 167 Cb 0.32 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3b4x h LEU 167 CO -0.00 0.47 0.10 0.40 -0.34 0.00 0.00 178.44 179.07 3b4x h ILE 168 N 0.07 1.23 -0.21 4.05 1.08 -1.07 -0.43 117.51 122.23 3b4x h ILE 168 Ca 0.05 -0.87 -0.15 0.00 -0.39 0.00 0.00 64.86 63.51 3b4x h ILE 168 Cb 0.31 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 3b4x h ILE 168 CO 0.00 0.32 -0.48 0.77 -0.69 0.00 0.00 178.15 178.07 3b4x h SER 169 N 0.80 0.61 -0.46 1.72 4.64 -1.01 -1.33 113.55 118.52 3b4x h SER 169 Ca 0.17 -0.30 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 3b4x h SER 169 Cb 0.33 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3b4x h SER 169 CO 0.00 0.99 0.02 0.15 -0.87 0.00 0.00 176.83 177.13 3b4x h PHE 170 N 0.44 0.86 -0.63 4.77 3.04 -0.79 0.12 116.94 124.75 3b4x h PHE 170 Ca 0.02 -0.14 -0.02 0.00 3.98 0.00 0.00 57.97 61.82 3b4x h PHE 170 Cb 1.01 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 39.26 3b4x h PHE 170 CO 0.04 0.82 0.33 0.66 -2.02 0.00 0.00 178.31 178.15 3b4x h SER 171 N 0.64 0.80 -0.53 0.41 4.64 -0.92 -0.83 113.55 117.76 3b4x h SER 171 Ca 0.13 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3b4x h SER 171 Cb 0.47 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3b4x h SER 171 CO 0.02 0.67 0.05 0.50 -0.87 0.00 0.00 176.83 177.21 3b4x h LYS 172 N 0.86 0.90 -0.17 4.77 3.64 -1.04 -1.11 116.57 124.42 3b4x h LYS 172 Ca 0.22 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3b4x h LYS 172 Cb 0.06 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3b4x h LYS 172 CO -0.03 0.89 0.11 -0.22 -2.27 0.00 0.00 179.45 177.93 3b4x h LYS 173 N 0.77 0.22 0.02 1.90 3.64 -0.62 1.00 116.57 123.50 3b4x h LYS 173 Ca 0.16 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3b4x h LYS 173 Cb 0.45 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3b4x h LYS 173 CO 0.02 0.15 -0.01 0.93 -2.27 0.00 0.00 179.45 178.27 3b4x h GLU 174 N 0.22 -0.02 0.06 1.90 4.39 -1.06 -1.67 114.58 118.41 3b4x h GLU 174 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3b4x h GLU 174 Cb -0.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3b4x h GLU 174 CO -0.01 0.12 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.85 3b4x h LEU 175 N -0.15 -0.08 -1.38 1.33 3.38 -1.09 -2.65 115.31 114.67 3b4x h LEU 175 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3b4x h LEU 175 Cb 0.15 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3b4x h LEU 175 CO 0.00 -0.06 0.43 0.44 0.09 0.00 0.00 178.44 179.35 3b4x h ASP 176 N -0.09 0.72 0.86 -0.43 5.19 -0.79 -1.69 116.42 120.20 3b4x h ASP 176 Ca -0.01 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 3b4x h ASP 176 Cb 0.07 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.40 3b4x h ASP 176 CO 0.01 0.52 -0.10 0.77 -3.12 0.00 0.00 179.24 177.32 3b4x h SER 177 N 0.85 0.00 0.18 6.45 4.64 -1.00 -3.04 113.55 121.63 3b4x h SER 177 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3b4x h SER 177 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3b4x h SER 177 CO -0.06 0.10 -1.41 0.54 -0.87 0.00 0.00 176.83 175.14 3b4x n ARG 178 N -3.28 0.38 -1.79 4.77 5.12 -0.72 -4.72 116.66 116.43 3b4x n ARG 178 Ca -0.00 -0.07 -0.42 0.00 -1.93 0.00 0.00 57.85 55.42 3b4x n ARG 178 Cb 0.33 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 30.05 3b4x n ARG 178 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3b4x s LYS 179 N -3.29 4.16 0.00 5.56 2.47 -0.72 -1.36 119.74 126.56 3b4x s LYS 179 Ca -0.00 2.48 0.00 0.00 -1.56 0.00 0.00 55.97 56.89 3b4x s LYS 179 Cb 0.14 -3.99 0.00 0.00 -1.46 0.00 0.00 37.83 32.52 3b4x s LYS 179 CO 0.86 -0.89 0.00 0.41 0.16 0.00 0.00 175.35 175.89 3b4x n GLY 180 N 4.35 0.58 0.76 5.54 0.00 -1.26 -4.88 105.19 110.28 3b4x n GLY 180 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3b4x n GLY 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3b4x n LYS 181 N -2.85 0.00 -3.61 1.61 5.02 -0.47 -5.12 118.16 112.75 3b4x n LYS 181 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 3b4x n LYS 181 Cb 0.00 -0.61 -0.07 0.00 -0.02 0.00 0.00 35.03 34.33 3b4x n LYS 181 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3b4x s GLU 182 N -1.99 0.90 -0.08 1.97 4.04 -1.08 -5.03 118.70 117.43 3b4x s GLU 182 Ca 0.00 0.14 0.15 0.00 0.04 0.00 0.00 54.97 55.30 3b4x s GLU 182 Cb 0.00 0.42 0.30 0.00 0.02 0.00 0.00 34.13 34.87 3b4x s GLU 182 CO 0.00 -0.26 1.14 0.44 -1.84 0.00 0.00 175.26 174.73 3b4x n ILE 183 N 1.15 0.93 0.08 1.83 -5.35 -1.26 -4.25 119.36 112.49 3b4x n ILE 183 Ca -0.20 -1.59 -0.14 0.00 -0.27 0.00 0.00 62.75 60.55 3b4x n ILE 183 Cb 0.57 0.32 -0.14 0.00 -1.74 0.00 0.00 39.64 38.65 3b4x n ILE 183 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 3b4x h VAL 184 N 4.10 1.41 -1.21 7.28 -1.51 -1.96 -3.40 116.25 120.96 3b4x h VAL 184 Ca -0.07 -3.04 -0.50 0.00 -1.23 0.00 0.00 66.70 61.86 3b4x h VAL 184 Cb 1.38 2.85 -0.02 0.00 -2.13 0.00 0.00 31.29 33.37 3b4x h VAL 184 CO 0.03 0.87 -0.30 1.51 -1.23 0.00 0.00 177.57 178.45 3b4x s ASP 185 N -6.97 5.08 0.30 4.19 3.84 -1.26 -4.97 116.67 116.88 3b4x s ASP 185 Ca -0.04 -0.80 -0.02 0.00 -0.00 0.00 0.00 52.55 51.69 3b4x s ASP 185 Cb 0.08 -0.26 0.45 0.00 -1.38 0.00 0.00 42.92 41.80 3b4x s ASP 185 CO 0.86 -0.87 1.96 -0.07 -0.00 0.00 0.00 175.17 177.05 3b4x h LEU 186 N 0.77 0.95 -0.54 2.11 3.38 -1.47 -1.47 115.31 119.05 3b4x h LEU 186 Ca -0.38 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 3b4x h LEU 186 Cb 1.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3b4x h LEU 186 CO 0.53 0.68 0.22 0.74 0.09 0.00 0.00 178.44 180.70 3b4x h THR 187 N 1.12 1.22 -0.51 0.22 2.02 -1.71 -1.49 112.91 113.78 3b4x h THR 187 Ca 0.32 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.75 3b4x h THR 187 Cb -0.08 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3b4x h THR 187 CO -0.08 0.26 -0.03 1.23 0.37 0.00 0.00 175.52 177.27 3b4x h GLY 188 N 0.73 0.95 1.05 2.16 0.00 -1.62 0.21 103.07 106.55 3b4x h GLY 188 Ca 0.18 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 3b4x h GLY 188 CO -0.02 0.62 0.02 0.50 0.00 0.00 0.00 176.54 177.67 3b4x h LYS 189 N 0.81 1.00 -0.04 4.80 1.57 -1.02 -1.38 116.57 122.31 3b4x h LYS 189 Ca 0.15 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3b4x h LYS 189 Cb 0.52 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3b4x h LYS 189 CO 0.03 0.99 -0.04 0.82 -0.57 0.00 0.00 179.45 180.67 3b4x h ILE 190 N 0.89 1.37 -0.91 1.86 2.04 -1.10 -2.99 117.51 118.67 3b4x h ILE 190 Ca 0.17 -1.18 0.10 0.00 1.00 0.00 0.00 64.86 64.95 3b4x h ILE 190 Cb 0.52 2.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.61 3b4x h ILE 190 CO 0.03 0.32 0.59 0.00 0.00 0.00 0.00 178.15 179.08 3b4x h ALA 191 N 0.55 1.62 -0.52 1.87 0.00 -0.89 -2.03 119.26 119.86 3b4x h ALA 191 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3b4x h ALA 191 Cb 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3b4x h ALA 191 CO 0.01 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.54 3b4x n ASN 192 N -4.54 4.10 -4.61 0.00 3.02 -0.53 -4.70 115.26 108.01 3b4x n ASN 192 Ca 0.16 -2.43 -0.25 0.00 -0.03 0.00 0.00 54.58 52.03 3b4x n ASN 192 Cb 0.31 -0.54 0.12 0.00 -0.61 0.00 0.00 39.78 39.06 3b4x n ASN 192 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3b4x s SER 193 N -0.78 4.20 -0.72 6.41 1.04 -0.77 -5.00 113.70 118.09 3b4x s SER 193 Ca 0.42 -0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 3b4x s SER 193 Cb 0.28 -0.26 0.42 0.00 0.10 0.00 0.00 66.02 66.56 3b4x s SER 193 CO 0.19 -1.97 2.04 0.59 0.98 0.00 0.00 173.24 175.06 3b4x n ASN 194 N -3.01 7.66 -4.92 7.02 3.02 -1.26 -4.95 115.26 118.82 3b4x n ASN 194 Ca 0.14 -3.80 -0.20 0.00 -0.03 0.00 0.00 54.58 50.68 3b4x n ASN 194 Cb 0.60 -1.01 -0.02 0.00 -0.61 0.00 0.00 39.78 38.74 3b4x n ASN 194 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3b4x s LEU 195 N -3.89 3.85 0.66 3.41 1.43 -1.26 -5.07 118.68 117.80 3b4x s LEU 195 Ca 0.61 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 3b4x s LEU 195 Cb 0.49 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3b4x s LEU 195 CO -0.13 -0.31 1.06 -0.94 0.23 0.00 0.00 176.35 176.25 3b4x s SER 196 N -4.04 5.46 0.29 2.29 1.04 -1.26 -4.80 113.70 112.68 3b4x s SER 196 Ca 0.41 1.72 0.03 0.00 0.48 0.00 0.00 55.95 58.58 3b4x s SER 196 Cb -0.08 -2.51 0.61 0.00 0.10 0.00 0.00 66.02 64.13 3b4x s SER 196 CO 0.28 -1.39 1.82 -0.08 0.98 0.00 0.00 173.24 174.86 3b4x h GLU 197 N -0.29 0.91 -0.58 4.02 4.57 -1.99 0.63 114.58 121.85 3b4x h GLU 197 Ca -0.45 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 57.58 3b4x h GLU 197 Cb 1.22 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 3b4x h GLU 197 CO 0.56 0.60 -0.01 1.25 -1.18 0.00 0.00 179.01 180.24 3b4x h LEU 198 N 0.94 1.01 -0.39 1.64 5.85 -1.97 -1.48 115.31 120.91 3b4x h LEU 198 Ca 0.52 -0.31 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 3b4x h LEU 198 Cb 0.60 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3b4x h LEU 198 CO -0.30 1.07 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.33 3b4x h GLU 199 N 0.92 0.83 -0.61 1.25 5.08 -1.47 -1.86 114.58 118.72 3b4x h GLU 199 Ca 0.16 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3b4x h GLU 199 Cb 0.56 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 3b4x h GLU 199 CO 0.03 1.01 0.34 0.87 -1.00 0.00 0.00 179.01 180.27 3b4x h LYS 200 N 0.64 0.64 -0.31 2.33 1.57 -0.75 0.11 116.57 120.79 3b4x h LYS 200 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3b4x h LYS 200 Cb 0.78 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3b4x h LYS 200 CO 0.06 0.42 0.17 0.93 -0.57 0.00 0.00 179.45 180.46 3b4x h GLU 201 N 0.66 0.43 -0.73 3.15 5.08 -1.13 -0.15 114.58 121.89 3b4x h GLU 201 Ca 0.26 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3b4x h GLU 201 Cb 0.12 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3b4x h GLU 201 CO -0.15 0.38 0.37 0.78 -1.00 0.00 0.00 179.01 179.39 3b4x h GLY 202 N 0.38 1.12 0.92 -3.84 0.00 -0.80 0.97 103.07 101.81 3b4x h GLY 202 Ca 0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3b4x h GLY 202 CO -0.02 0.51 0.11 -1.82 0.00 0.00 0.00 176.54 175.33 3b4x h TYR 203 N 1.02 0.53 -0.31 5.60 -0.00 -0.54 0.11 116.97 123.38 3b4x h TYR 203 Ca 0.25 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.73 58.92 3b4x h TYR 203 Cb 0.09 -0.15 -0.01 0.00 -0.00 0.00 0.00 36.73 36.65 3b4x h TYR 203 CO 0.00 0.52 0.12 0.35 -0.00 0.00 0.00 178.16 179.16 3b4x h PHE 204 N 0.39 0.47 -0.68 -3.82 3.04 -0.78 -2.03 116.94 113.54 3b4x h PHE 204 Ca 0.11 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 3b4x h PHE 204 Cb 0.23 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 3b4x h PHE 204 CO 0.00 0.45 0.24 0.82 -2.02 0.00 0.00 178.31 177.81 3b4x h ILE 205 N 0.35 1.25 0.08 1.41 1.08 -0.62 -1.81 117.51 119.25 3b4x h ILE 205 Ca 0.10 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 3b4x h ILE 205 Cb 0.18 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 3b4x h ILE 205 CO -0.01 0.32 -0.08 0.25 -0.69 0.00 0.00 178.15 177.94 3b4x h LEU 206 N 0.97 -0.22 -1.14 1.44 5.85 -0.62 -0.80 115.31 120.79 3b4x h LEU 206 Ca 0.22 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3b4x h LEU 206 Cb 0.25 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3b4x h LEU 206 CO -0.01 -0.13 0.30 -0.07 -0.34 0.00 0.00 178.44 178.19 3b4x h LEU 207 N -0.18 0.82 -0.26 2.25 3.38 -1.24 0.10 115.31 120.17 3b4x h LEU 207 Ca 0.01 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3b4x h LEU 207 Cb 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3b4x h LEU 207 CO -0.03 0.70 -0.27 -0.03 0.09 0.00 0.00 178.44 178.90 3b4x h MET 208 N 0.90 0.65 0.00 1.13 4.05 -1.03 -2.39 114.93 118.25 3b4x h MET 208 Ca 0.22 -0.35 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 3b4x h MET 208 Cb 0.10 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.91 3b4x h MET 208 CO -0.03 0.95 -0.08 0.82 0.23 0.00 0.00 176.91 178.81 3b4x h ILE 209 N 0.38 1.12 0.00 1.77 1.08 -1.00 -3.27 117.51 117.59 3b4x h ILE 209 Ca 0.04 -1.87 0.00 0.00 -0.39 0.00 0.00 64.86 62.64 3b4x h ILE 209 Cb 0.84 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 3b4x h ILE 209 CO 0.07 0.38 0.00 0.00 -0.69 0.00 0.00 178.15 177.91 3b4x h ALA 210 N -0.38 1.00 0.00 1.87 0.00 -0.96 -2.05 119.26 118.74 3b4x h ALA 210 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3b4x h ALA 210 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3b4x h ALA 210 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3b4x n GLY 211 N -0.85 -0.78 0.00 0.00 0.00 -0.90 -4.42 105.19 98.24 3b4x n GLY 211 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3b4x n GLY 211 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3b4x n ASN 212 N -1.18 0.00 -0.15 1.61 0.23 -0.79 -4.66 115.26 110.32 3b4x n ASN 212 Ca 0.11 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 54.09 3b4x n ASN 212 Cb 0.12 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.81 3b4x n ASN 212 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3b4x h GLU 213 N 0.00 -0.21 0.00 -3.83 4.39 -1.72 -0.65 114.58 112.56 3b4x h GLU 213 Ca 0.00 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 3b4x h GLU 213 Cb 0.00 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3b4x h GLU 213 CO 0.00 -0.14 -0.58 1.79 -1.16 0.00 0.00 179.01 178.93 3b4x h THR 214 N -0.21 1.13 -0.08 1.13 1.35 -1.85 -2.90 112.91 111.48 3b4x h THR 214 Ca 0.20 -2.21 -0.15 0.00 -0.55 0.00 0.00 66.41 63.69 3b4x h THR 214 Cb 0.54 2.30 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 3b4x h THR 214 CO -0.59 0.57 -0.63 0.74 -0.25 0.00 0.00 175.52 175.36 3b4x h THR 215 N 0.00 1.39 -0.42 6.82 2.02 -1.75 -0.75 112.91 120.21 3b4x h THR 215 Ca -0.01 -2.02 -0.05 0.00 0.77 0.00 0.00 66.41 65.11 3b4x h THR 215 Cb 1.26 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.67 3b4x h THR 215 CO 0.08 0.60 0.08 0.74 0.37 0.00 0.00 175.52 177.39 3b4x h THR 216 N 0.20 1.24 -0.78 3.16 2.02 -1.08 -1.69 112.91 115.98 3b4x h THR 216 Ca -0.01 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 3b4x h THR 216 Cb 1.15 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 3b4x h THR 216 CO 0.10 0.30 0.28 0.78 0.37 0.00 0.00 175.52 177.35 3b4x h ASN 217 N 0.56 1.10 -0.16 4.18 2.35 -1.30 -1.40 115.58 120.91 3b4x h ASN 217 Ca 0.13 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3b4x h ASN 217 Cb 0.35 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3b4x h ASN 217 CO 0.01 0.99 0.07 0.25 -1.65 0.00 0.00 177.43 177.10 3b4x h LEU 218 N 1.14 0.22 -0.42 1.61 5.85 -0.90 0.31 115.31 123.12 3b4x h LEU 218 Ca 0.26 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3b4x h LEU 218 Cb 0.26 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3b4x h LEU 218 CO -0.02 0.30 0.16 0.40 -0.34 0.00 0.00 178.44 178.94 3b4x h ILE 219 N 0.12 1.21 -0.41 4.05 2.04 -1.20 0.14 117.51 123.46 3b4x h ILE 219 Ca 0.05 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 3b4x h ILE 219 Cb 0.15 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3b4x h ILE 219 CO -0.01 0.24 -0.01 1.23 0.00 0.00 0.00 178.15 179.60 3b4x h GLY 220 N 0.54 0.78 1.37 5.37 0.00 -1.17 -1.61 103.07 108.35 3b4x h GLY 220 Ca 0.14 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 3b4x h GLY 220 CO -0.01 0.54 0.10 3.43 0.00 0.00 0.00 176.54 180.60 3b4x h ASN 221 N 0.55 0.74 -0.26 0.19 2.35 -0.23 -1.83 115.58 117.09 3b4x h ASN 221 Ca 0.11 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 3b4x h ASN 221 Cb 0.49 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3b4x h ASN 221 CO 0.02 0.75 -0.19 0.00 -1.65 0.00 0.00 177.43 176.36 3b4x h ALA 222 N 1.35 0.37 -0.94 -0.83 0.00 -0.83 0.42 119.26 118.79 3b4x h ALA 222 Ca 0.16 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3b4x h ALA 222 Cb 0.32 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3b4x h ALA 222 CO 0.00 0.29 0.62 0.82 0.00 0.00 0.00 179.25 180.99 3b4x h ILE 223 N 0.30 1.22 0.26 0.00 2.04 -1.08 0.20 117.51 120.45 3b4x h ILE 223 Ca 0.05 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3b4x h ILE 223 Cb 0.72 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3b4x h ILE 223 CO 0.05 0.23 -0.12 -0.08 0.00 0.00 0.00 178.15 178.22 3b4x h GLU 224 N 1.25 -0.34 -0.39 2.37 4.57 -1.18 -2.48 114.58 118.40 3b4x h GLU 224 Ca 0.36 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.57 3b4x h GLU 224 Cb -0.10 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3b4x h GLU 224 CO -0.09 -0.06 0.23 -0.44 -1.18 0.00 0.00 179.01 177.48 3b4x h ASP 225 N -0.60 0.39 -0.64 1.04 3.32 -0.48 -0.49 116.42 118.94 3b4x h ASP 225 Ca -0.04 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3b4x h ASP 225 Cb 0.43 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3b4x h ASP 225 CO 0.06 0.28 0.35 -0.26 -1.72 0.00 0.00 179.24 177.94 3b4x h PHE 226 N 0.47 0.91 0.34 4.55 0.05 -0.67 -0.30 116.94 122.30 3b4x h PHE 226 Ca 0.15 -0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.90 3b4x h PHE 226 Cb -0.01 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 37.65 3b4x h PHE 226 CO -0.07 0.65 -0.17 1.15 -0.18 0.00 0.00 178.31 179.69 3b4x h THR 227 N 0.93 0.46 -0.57 -1.55 2.02 -1.04 0.19 112.91 113.35 3b4x h THR 227 Ca 0.23 -0.72 0.09 0.00 0.77 0.00 0.00 66.41 66.79 3b4x h THR 227 Cb 0.05 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 3b4x h THR 227 CO -0.04 0.10 0.17 0.25 0.37 0.00 0.00 175.52 176.37 3b4x h LEU 228 N -0.96 0.12 -2.46 2.58 5.85 -1.02 -2.28 115.31 117.14 3b4x h LEU 228 Ca -0.05 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3b4x h LEU 228 Cb 0.52 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3b4x h LEU 228 CO 0.08 0.08 0.00 -1.22 -0.34 0.00 0.00 178.44 177.04 3b4x n TYR 229 N -5.05 1.06 -3.75 1.25 4.02 -0.13 -4.97 117.16 109.58 3b4x n TYR 229 Ca 0.08 -0.46 -0.26 0.00 -0.01 0.00 0.00 57.90 57.25 3b4x n TYR 229 Cb 0.27 -0.12 0.02 0.00 -0.02 0.00 0.00 39.34 39.49 3b4x n TYR 229 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3b4x n ASN 230 N 1.06 -2.70 -0.59 7.72 3.02 -0.44 -4.92 115.26 118.41 3b4x n ASN 230 Ca 0.21 -0.95 0.12 0.00 -0.03 0.00 0.00 54.58 53.93 3b4x n ASN 230 Cb 0.65 -3.53 0.15 0.00 -0.61 0.00 0.00 39.78 36.44 3b4x n ASN 230 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3b4x n SER 231 N -2.90 2.09 -0.33 6.41 7.64 0.55 -4.58 113.62 122.51 3b4x n SER 231 Ca -0.22 -1.56 -0.02 0.00 1.01 0.00 0.00 58.87 58.09 3b4x n SER 231 Cb 0.65 0.23 0.11 0.00 -1.01 0.00 0.00 64.21 64.18 3b4x n SER 231 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 3b4x h TRP 232 N 2.90 1.09 -0.72 1.43 4.06 -1.92 -1.20 115.95 121.59 3b4x h TRP 232 Ca 0.00 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.93 3b4x h TRP 232 Cb 0.76 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 28.52 3b4x h TRP 232 CO 0.00 0.64 0.27 -0.44 -3.56 0.00 0.00 178.44 175.35 3b4x h ASP 233 N 1.14 1.02 -0.59 -3.49 3.32 -1.95 -0.72 116.42 115.14 3b4x h ASP 233 Ca 0.35 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3b4x h ASP 233 Cb -0.03 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 3b4x h ASP 233 CO -0.11 0.93 0.36 0.22 -1.72 0.00 0.00 179.24 178.92 3b4x h TYR 234 N 1.05 0.78 -0.43 4.55 5.03 -1.71 -1.52 116.97 124.73 3b4x h TYR 234 Ca 0.24 -0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.44 3b4x h TYR 234 Cb 0.25 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 3b4x h TYR 234 CO 0.02 0.53 -0.16 -0.39 -1.32 0.00 0.00 178.16 176.84 3b4x h VAL 235 N 0.80 1.27 -0.37 1.81 -1.51 -0.80 0.70 116.25 118.14 3b4x h VAL 235 Ca 0.21 -1.26 -0.08 0.00 -1.23 0.00 0.00 66.70 64.34 3b4x h VAL 235 Cb -0.02 1.11 -0.02 0.00 -2.13 0.00 0.00 31.29 30.23 3b4x h VAL 235 CO -0.04 0.43 -0.10 0.03 -1.23 0.00 0.00 177.57 176.66 3b4x h ARG 236 N 0.72 0.65 0.02 5.19 3.08 -0.82 0.47 114.38 123.69 3b4x h ARG 236 Ca 0.11 -0.20 -0.27 0.00 0.07 0.00 0.00 59.98 59.69 3b4x h ARG 236 Cb 0.67 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 3b4x h ARG 236 CO 0.05 0.74 -1.48 1.05 -1.07 0.00 0.00 179.97 179.26 3b4x h GLU 237 N 0.60 0.04 0.00 0.04 4.11 -1.13 -3.40 114.58 114.85 3b4x h GLU 237 Ca 0.11 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3b4x h GLU 237 Cb 0.53 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3b4x h GLU 237 CO 0.03 0.76 -0.40 1.63 0.07 0.00 0.00 179.01 181.10 3b4x n LYS 238 N -3.21 4.30 0.00 1.06 4.76 0.22 -5.10 118.16 120.20 3b4x n LYS 238 Ca -0.12 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 3b4x n LYS 238 Cb 1.02 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 33.33 3b4x n LYS 238 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b4x n GLY 239 N 1.22 0.16 1.01 0.72 0.00 0.16 -4.76 105.19 103.71 3b4x n GLY 239 Ca 0.01 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.24 3b4x n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b4x n ALA 240 N 0.51 2.35 0.09 4.61 0.00 -1.26 -4.38 120.51 122.44 3b4x n ALA 240 Ca 0.00 -1.28 -0.13 0.00 0.00 0.00 0.00 53.44 52.03 3b4x n ALA 240 Cb 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 3b4x n ALA 240 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3b4x h LEU 241 N 3.10 -0.98 -0.29 0.00 5.85 -1.94 0.98 115.31 122.02 3b4x h LEU 241 Ca 0.00 0.12 -0.20 0.00 0.84 0.00 0.00 57.88 58.64 3b4x h LEU 241 Cb 0.92 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3b4x h LEU 241 CO 0.03 -0.41 -0.85 0.11 -0.34 0.00 0.00 178.44 176.98 3b4x h LYS 242 N -0.53 0.31 -0.87 1.25 1.57 -1.84 -3.16 116.57 113.31 3b4x h LYS 242 Ca 0.04 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3b4x h LYS 242 Cb 0.58 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3b4x h LYS 242 CO -0.23 1.00 0.51 0.00 -0.57 0.00 0.00 179.45 180.15 3b4x h ALA 243 N 0.90 1.25 -0.74 3.86 0.00 -1.22 -1.55 119.26 121.76 3b4x h ALA 243 Ca -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3b4x h ALA 243 Cb 1.46 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3b4x h ALA 243 CO 0.14 0.63 0.29 0.28 0.00 0.00 0.00 179.25 180.59 3b4x h VAL 244 N 1.21 1.25 -0.55 0.00 2.07 -0.82 -0.86 116.25 118.56 3b4x h VAL 244 Ca 0.31 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 3b4x h VAL 244 Cb -0.02 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3b4x h VAL 244 CO -0.06 0.32 0.01 -0.33 0.02 0.00 0.00 177.57 177.53 3b4x h GLU 245 N 1.08 0.94 -0.23 1.57 4.39 -1.30 -0.39 114.58 120.64 3b4x h GLU 245 Ca 0.25 -0.27 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 3b4x h GLU 245 Cb 0.21 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3b4x h GLU 245 CO -0.02 0.92 -0.37 1.49 -1.16 0.00 0.00 179.01 179.87 3b4x h GLU 246 N 0.86 0.52 -0.67 2.33 4.57 -0.87 -0.97 114.58 120.36 3b4x h GLU 246 Ca 0.16 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 3b4x h GLU 246 Cb 0.50 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 3b4x h GLU 246 CO 0.02 0.81 0.25 0.00 -1.18 0.00 0.00 179.01 178.92 3b4x h ALA 247 N 1.17 0.87 -0.78 2.92 0.00 -0.75 0.15 119.26 122.83 3b4x h ALA 247 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3b4x h ALA 247 Cb 0.84 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3b4x h ALA 247 CO 0.07 0.50 0.40 -0.07 0.00 0.00 0.00 179.25 180.15 3b4x h LEU 248 N 0.95 1.00 0.05 0.00 3.38 -0.69 0.15 115.31 120.15 3b4x h LEU 248 Ca 0.22 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3b4x h LEU 248 Cb 0.23 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3b4x h LEU 248 CO -0.02 0.83 -0.03 -0.09 0.09 0.00 0.00 178.44 179.23 3b4x h ARG 249 N 1.09 -0.07 -0.29 1.13 2.43 -0.73 -2.91 114.38 115.03 3b4x h ARG 249 Ca 0.27 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.30 3b4x h ARG 249 Cb 0.08 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3b4x h ARG 249 CO -0.04 0.40 -0.41 0.35 -1.51 0.00 0.00 179.97 178.76 3b4x h PHE 250 N -0.56 0.86 -2.12 2.20 3.57 -0.68 -3.37 116.94 116.84 3b4x h PHE 250 Ca -0.01 -0.26 -0.54 0.00 3.53 0.00 0.00 57.97 60.69 3b4x h PHE 250 Cb 0.50 -0.18 -0.41 0.00 2.79 0.00 0.00 35.95 38.65 3b4x h PHE 250 CO 0.09 1.01 -0.93 0.43 -2.23 0.00 0.00 178.31 176.68 3b4x n SER 251 N -4.03 2.30 -4.68 0.41 7.64 0.51 -5.08 113.62 110.70 3b4x n SER 251 Ca -0.02 -3.24 -0.47 0.00 1.01 0.00 0.00 58.87 56.15 3b4x n SER 251 Cb 0.54 -0.61 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 3b4x n SER 251 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3b4x n PRO 252 N 0.34 2.17 0.05 1.43 -0.04 -1.10 -4.70 135.00 133.15 3b4x n PRO 252 Ca 0.27 0.79 0.07 0.00 -0.04 0.00 0.00 63.50 64.59 3b4x n PRO 252 Cb 0.52 -2.61 0.50 0.00 -0.04 0.00 0.00 33.50 31.88 3b4x n PRO 252 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3b4x h PRO 253 N 7.87 0.36 -4.95 0.54 0.11 -1.84 -3.38 132.00 130.71 3b4x h PRO 253 Ca -0.47 -0.02 -0.67 0.00 0.11 0.00 0.00 66.00 64.95 3b4x h PRO 253 Cb 1.26 -0.08 -0.33 0.00 0.11 0.00 0.00 31.00 31.96 3b4x h PRO 253 CO 0.92 0.24 -0.78 0.08 -0.21 0.00 0.00 178.00 178.25 3b4x s VAL 254 N -5.35 2.61 0.18 3.15 1.01 -1.26 -0.39 120.40 120.35 3b4x s VAL 254 Ca -0.07 -1.03 0.14 0.00 0.00 0.00 0.00 61.98 61.02 3b4x s VAL 254 Cb 0.18 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.31 3b4x s VAL 254 CO 0.72 0.28 1.61 0.24 0.00 0.00 0.00 175.10 177.96 3b4x h MET 255 N 7.97 0.00 -2.97 2.72 2.86 -1.05 -3.42 114.93 121.04 3b4x h MET 255 Ca -0.35 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.33 3b4x h MET 255 Cb 1.11 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.69 3b4x h MET 255 CO 0.58 0.55 0.23 -0.98 1.06 0.00 0.00 176.91 178.35 3b4x s ARG 256 N -3.46 1.58 0.35 1.72 1.70 -1.26 -1.31 118.95 118.25 3b4x s ARG 256 Ca -0.00 -0.78 0.07 0.00 -0.47 0.00 0.00 55.73 54.55 3b4x s ARG 256 Cb 0.11 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 35.06 3b4x s ARG 256 CO 0.74 -0.71 0.27 -0.08 -1.08 0.00 0.00 175.30 174.43 3b4x s THR 257 N -3.83 0.05 0.04 4.99 -1.32 -0.56 -4.91 115.64 110.11 3b4x s THR 257 Ca 0.07 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.54 3b4x s THR 257 Cb -0.04 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 3b4x s THR 257 CO -0.01 0.00 -0.02 -0.51 -2.21 0.00 0.00 174.62 171.88 3b4x s ILE 258 N -3.38 0.18 0.19 5.08 2.07 -1.26 -0.57 121.20 123.51 3b4x s ILE 258 Ca 0.39 -1.52 -0.05 0.00 -1.41 0.00 0.00 60.65 58.05 3b4x s ILE 258 Cb 0.02 -1.15 -0.02 0.00 0.13 0.00 0.00 42.46 41.43 3b4x s ILE 258 CO 0.27 -0.84 0.23 -0.13 -1.91 0.00 0.00 174.94 172.56 3b4x s ARG 259 N -3.20 1.22 -0.05 3.50 1.81 -0.79 -4.91 118.95 116.53 3b4x s ARG 259 Ca 0.00 -1.41 0.02 0.00 -1.72 0.00 0.00 55.73 52.63 3b4x s ARG 259 Cb 0.03 0.34 0.01 0.00 -0.45 0.00 0.00 34.95 34.88 3b4x s ARG 259 CO -0.07 -0.43 -0.09 0.54 -0.68 0.00 0.00 175.30 174.56 3b4x s VAL 260 N -4.06 0.89 0.23 3.52 0.11 -0.44 -0.98 120.40 119.66 3b4x s VAL 260 Ca 0.28 -0.35 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 3b4x s VAL 260 Cb 0.04 -0.83 -0.09 0.00 -1.53 0.00 0.00 36.38 33.97 3b4x s VAL 260 CO 0.07 0.30 1.36 0.42 -3.33 0.00 0.00 175.10 173.91 3b4x s THR 261 N 0.65 2.97 -0.59 5.04 -4.23 -0.64 -0.40 115.64 118.44 3b4x s THR 261 Ca -0.12 0.82 0.23 0.00 -1.18 0.00 0.00 61.69 61.44 3b4x s THR 261 Cb -0.14 -3.52 -0.11 0.00 1.34 0.00 0.00 72.50 70.07 3b4x s THR 261 CO 0.02 0.13 1.03 0.29 -0.54 0.00 0.00 174.62 175.55 3b4x n LYS 262 N 2.41 0.30 -4.00 3.99 4.76 0.02 -0.47 118.16 125.17 3b4x n LYS 262 Ca 0.06 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 3b4x n LYS 262 Cb 0.42 -1.60 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 3b4x n LYS 262 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3b4x s GLU 263 N -3.20 1.71 0.28 1.97 -1.05 -1.26 -4.78 118.70 112.36 3b4x s GLU 263 Ca 0.03 -1.40 -0.29 0.00 -0.15 0.00 0.00 54.97 53.16 3b4x s GLU 263 Cb 0.14 0.48 -0.10 0.00 -0.44 0.00 0.00 34.13 34.21 3b4x s GLU 263 CO 0.80 -0.72 1.21 0.21 0.95 0.00 0.00 175.26 177.71 3b4x s LYS 264 N -3.61 4.49 0.20 -4.83 2.20 -1.26 -3.82 119.74 113.11 3b4x s LYS 264 Ca 0.24 1.99 -0.03 0.00 -0.36 0.00 0.00 55.97 57.81 3b4x s LYS 264 Cb -0.01 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 3b4x s LYS 264 CO 0.12 -0.02 0.18 0.14 -0.36 0.00 0.00 175.35 175.41 3b4x s VAL 265 N -0.88 0.01 -0.06 4.02 -7.23 0.04 -4.94 120.40 111.36 3b4x s VAL 265 Ca 0.48 -1.87 -0.00 0.00 -1.81 0.00 0.00 61.98 58.78 3b4x s VAL 265 Cb -0.35 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.24 3b4x s VAL 265 CO 0.45 -0.07 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.40 3b4x s LYS 266 N -4.12 0.70 -0.23 4.82 2.20 -1.26 0.17 119.74 122.02 3b4x s LYS 266 Ca 0.34 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 3b4x s LYS 266 Cb 0.06 -0.93 0.03 0.00 -1.51 0.00 0.00 37.83 35.48 3b4x s LYS 266 CO 0.10 -0.22 -0.11 0.42 -0.36 0.00 0.00 175.35 175.18 3b4x s ILE 267 N 1.58 2.50 0.00 5.43 1.01 -0.06 -4.95 121.20 126.71 3b4x s ILE 267 Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.52 3b4x s ILE 267 Cb -0.13 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.09 3b4x s ILE 267 CO -0.04 0.25 0.00 0.54 0.00 0.00 0.00 174.94 175.69 3b4x n ARG 268 N 4.61 0.00 -0.46 2.79 1.74 -1.26 -1.46 116.66 122.62 3b4x n ARG 268 Ca -0.17 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.01 3b4x n ARG 268 Cb 0.47 0.00 0.32 0.00 -1.02 0.00 0.00 32.46 32.23 3b4x n ARG 268 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3b4x n ASP 269 N 6.46 4.07 -4.55 0.55 3.85 -1.26 -4.92 116.55 120.75 3b4x n ASP 269 Ca 0.00 -2.21 -0.35 0.00 -0.71 0.00 0.00 54.79 51.52 3b4x n ASP 269 Cb 0.00 -0.51 -0.11 0.00 -1.35 0.00 0.00 41.12 39.15 3b4x n ASP 269 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3b4x s GLN 270 N -1.45 3.82 -0.20 0.11 -1.52 -0.53 -5.08 119.66 114.81 3b4x s GLN 270 Ca 0.47 -0.41 -0.18 0.00 -1.95 0.00 0.00 55.36 53.28 3b4x s GLN 270 Cb 0.27 -3.23 -0.03 0.00 -0.22 0.00 0.00 33.01 29.80 3b4x s GLN 270 CO 0.27 0.09 0.50 0.08 -0.25 0.00 0.00 175.29 175.99 3b4x s VAL 271 N 0.85 5.11 -0.17 1.09 1.01 -1.26 -0.88 120.40 126.14 3b4x s VAL 271 Ca 0.03 0.92 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 3b4x s VAL 271 Cb -0.14 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 3b4x s VAL 271 CO 0.02 0.18 -0.12 -0.63 0.00 0.00 0.00 175.10 174.56 3b4x s ILE 272 N 1.62 2.90 0.87 2.22 1.01 0.13 -4.99 121.20 124.96 3b4x s ILE 272 Ca 0.23 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 3b4x s ILE 272 Cb -0.15 -2.26 0.12 0.00 0.01 0.00 0.00 42.46 40.18 3b4x s ILE 272 CO 0.09 0.49 1.10 -1.81 0.00 0.00 0.00 174.94 174.81 3b4x s ASP 273 N 0.98 3.72 0.49 3.58 1.01 -1.26 -0.78 116.67 124.41 3b4x s ASP 273 Ca -0.02 1.40 -0.23 0.00 0.71 0.00 0.00 52.55 54.41 3b4x s ASP 273 Cb -0.15 -2.09 -0.07 0.00 1.01 0.00 0.00 42.92 41.63 3b4x s ASP 273 CO -0.02 -2.47 1.24 -0.70 0.21 0.00 0.00 175.17 173.43 3b4x s GLU 274 N -5.01 3.55 0.00 8.23 2.12 -1.25 -3.08 118.70 123.26 3b4x s GLU 274 Ca 0.63 1.95 0.00 0.00 0.36 0.00 0.00 54.97 57.91 3b4x s GLU 274 Cb -0.17 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.85 3b4x s GLU 274 CO 0.56 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 3b4x n GLY 275 N 0.55 0.54 3.87 -1.50 0.00 0.38 -4.97 105.19 104.07 3b4x n GLY 275 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3b4x n GLY 275 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b4x s GLU 276 N -0.13 3.77 0.22 1.61 2.02 -1.18 -4.81 118.70 120.20 3b4x s GLU 276 Ca 0.00 0.20 -0.26 0.00 0.02 0.00 0.00 54.97 54.92 3b4x s GLU 276 Cb 0.00 -3.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.15 3b4x s GLU 276 CO 0.00 0.56 0.85 -0.51 0.02 0.00 0.00 175.26 176.18 3b4x s LEU 277 N -1.89 4.55 -0.18 1.80 1.43 -1.26 -1.62 118.68 121.51 3b4x s LEU 277 Ca 0.33 1.75 -0.01 0.00 -1.03 0.00 0.00 54.13 55.17 3b4x s LEU 277 Cb -0.14 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.60 3b4x s LEU 277 CO 0.18 0.14 -0.02 -0.69 0.23 0.00 0.00 176.35 176.18 3b4x s VAL 278 N -1.26 0.97 -0.23 -1.59 1.01 -0.15 -1.26 120.40 117.87 3b4x s VAL 278 Ca 0.40 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 3b4x s VAL 278 Cb -0.23 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3b4x s VAL 278 CO 0.27 0.00 0.84 -0.13 0.00 0.00 0.00 175.10 176.09 3b4x s ARG 279 N 1.68 4.20 -0.56 2.72 0.52 0.19 -1.88 118.95 125.81 3b4x s ARG 279 Ca -0.01 0.97 -0.18 0.00 -0.52 0.00 0.00 55.73 56.00 3b4x s ARG 279 Cb -0.16 -3.64 0.11 0.00 0.52 0.00 0.00 34.95 31.78 3b4x s ARG 279 CO -0.07 -0.50 0.62 0.08 0.02 0.00 0.00 175.30 175.44 3b4x s VAL 280 N 2.78 4.97 -1.23 3.52 1.01 0.27 -0.79 120.40 130.92 3b4x s VAL 280 Ca 0.36 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 3b4x s VAL 280 Cb -0.15 -4.41 0.04 0.00 0.00 0.00 0.00 36.38 31.85 3b4x s VAL 280 CO 0.08 -1.00 1.73 0.26 0.00 0.00 0.00 175.10 176.17 3b4x s TRP 281 N 2.28 2.58 0.24 5.22 0.52 -0.93 -1.49 118.94 127.37 3b4x s TRP 281 Ca 0.09 -1.12 -0.06 0.00 0.02 0.00 0.00 56.10 55.03 3b4x s TRP 281 Cb -0.26 -4.61 0.44 0.00 -1.15 0.00 0.00 33.47 27.89 3b4x s TRP 281 CO 0.06 -1.73 1.67 0.82 0.02 0.00 0.00 176.95 177.79 3b4x h ILE 282 N 5.89 0.49 -0.71 2.03 2.04 -1.57 -1.33 117.51 124.34 3b4x h ILE 282 Ca 0.37 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 66.23 3b4x h ILE 282 Cb 0.91 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 3b4x h ILE 282 CO 1.41 0.04 0.39 0.00 0.00 0.00 0.00 178.15 179.99 3b4x h ALA 283 N 1.62 0.97 -0.26 1.87 0.00 -1.45 -1.10 119.26 120.91 3b4x h ALA 283 Ca 0.40 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.17 3b4x h ALA 283 Cb 0.69 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3b4x h ALA 283 CO -0.53 0.03 -0.53 1.03 0.00 0.00 0.00 179.25 179.25 3b4x h SER 284 N 0.68 0.84 -0.81 0.00 0.87 -1.55 -3.08 113.55 110.50 3b4x h SER 284 Ca 0.33 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3b4x h SER 284 Cb 0.27 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 3b4x h SER 284 CO -0.22 1.21 0.49 0.00 -0.53 0.00 0.00 176.83 177.78 3b4x h ALA 285 N 0.81 1.32 0.00 6.23 0.00 -0.72 -1.84 119.26 125.05 3b4x h ALA 285 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3b4x h ALA 285 Cb 1.11 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3b4x h ALA 285 CO 0.11 0.58 0.00 0.09 0.00 0.00 0.00 179.25 180.04 3b4x n ASN 286 N -4.37 0.27 -0.23 0.00 3.02 -0.47 -2.30 115.26 111.18 3b4x n ASN 286 Ca 0.09 0.57 0.05 0.00 -0.03 0.00 0.00 54.58 55.26 3b4x n ASN 286 Cb 0.07 -0.63 0.10 0.00 -0.61 0.00 0.00 39.78 38.71 3b4x n ASN 286 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3b4x n ARG 287 N -1.81 2.42 -2.12 3.52 5.12 -0.73 -4.86 116.66 118.21 3b4x n ARG 287 Ca 0.03 -2.10 -0.43 0.00 -1.93 0.00 0.00 57.85 53.42 3b4x n ARG 287 Cb 0.17 -1.31 -0.03 0.00 -1.16 0.00 0.00 32.46 30.14 3b4x n ARG 287 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3b4x s ASP 288 N -1.72 6.49 0.47 0.55 -1.08 -0.97 -4.80 116.67 115.61 3b4x s ASP 288 Ca 0.19 1.76 0.15 0.00 -0.52 0.00 0.00 52.55 54.13 3b4x s ASP 288 Cb 0.15 -2.53 1.12 0.00 -1.46 0.00 0.00 42.92 40.20 3b4x s ASP 288 CO 0.04 -1.14 2.05 -0.08 0.52 0.00 0.00 175.17 176.56 3b4x h GLU 289 N 10.25 0.25 -0.13 4.34 4.22 -1.92 0.19 114.58 131.79 3b4x h GLU 289 Ca -0.34 -0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.12 3b4x h GLU 289 Cb 1.15 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3b4x h GLU 289 CO 0.99 0.17 -0.08 0.93 -2.18 0.00 0.00 179.01 178.84 3b4x h GLU 290 N 0.26 -0.07 0.16 1.92 5.08 -1.98 -3.26 114.58 116.68 3b4x h GLU 290 Ca 0.17 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.26 3b4x h GLU 290 Cb 0.33 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.61 3b4x h GLU 290 CO -0.03 -0.05 -1.29 0.28 -1.00 0.00 0.00 179.01 176.92 3b4x h VAL 291 N -0.07 1.21 -3.56 3.13 2.07 -1.79 -3.44 116.25 113.80 3b4x h VAL 291 Ca 0.08 -2.51 -0.69 0.00 0.82 0.00 0.00 66.70 64.39 3b4x h VAL 291 Cb 0.19 2.93 -0.33 0.00 -1.52 0.00 0.00 31.29 32.55 3b4x h VAL 291 CO -0.17 0.75 -0.58 -0.36 0.02 0.00 0.00 177.57 177.22 3b4x s PHE 292 N -2.50 3.48 0.38 1.57 0.40 0.60 -5.07 117.98 116.85 3b4x s PHE 292 Ca -0.16 -2.16 -0.28 0.00 -0.60 0.00 0.00 56.93 53.73 3b4x s PHE 292 Cb 0.03 -2.90 -0.10 0.00 0.51 0.00 0.00 43.02 40.56 3b4x s PHE 292 CO 0.83 -0.91 1.44 0.21 0.70 0.00 0.00 175.22 177.49 3b4x s LYS 293 N 1.20 4.07 -1.22 0.44 2.47 -1.25 -2.19 119.74 123.26 3b4x s LYS 293 Ca 0.04 2.47 -0.12 0.00 -1.56 0.00 0.00 55.97 56.81 3b4x s LYS 293 Cb -0.22 -2.92 -0.01 0.00 -1.46 0.00 0.00 37.83 33.22 3b4x s LYS 293 CO -0.03 -0.53 0.70 -0.25 0.16 0.00 0.00 175.35 175.41 3b4x n ASP 294 N 0.38 -3.55 -0.15 1.43 8.00 -1.26 -4.85 116.55 116.55 3b4x n ASP 294 Ca 0.02 -0.96 0.13 0.00 0.71 0.00 0.00 54.79 54.68 3b4x n ASP 294 Cb 0.40 -3.55 0.47 0.00 -0.02 0.00 0.00 41.12 38.43 3b4x n ASP 294 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3b4x h PRO 295 N -1.83 0.46 -0.24 -0.24 0.13 -1.75 -1.59 132.00 126.94 3b4x h PRO 295 Ca -0.64 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 3b4x h PRO 295 Cb 1.36 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3b4x h PRO 295 CO 0.52 0.31 0.00 -0.25 -0.23 0.00 0.00 178.00 178.35 3b4x n ASP 296 N -4.48 1.64 -4.78 1.44 10.43 -1.26 -4.82 116.55 114.71 3b4x n ASP 296 Ca 0.13 -1.85 -0.36 0.00 2.57 0.00 0.00 54.79 55.28 3b4x n ASP 296 Cb 0.43 -0.16 -0.07 0.00 1.84 0.00 0.00 41.12 43.16 3b4x n ASP 296 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3b4x s SER 297 N -1.28 6.30 -0.54 -2.24 0.01 -0.60 -5.05 113.70 110.30 3b4x s SER 297 Ca 0.27 0.35 -0.22 0.00 1.31 0.00 0.00 55.95 57.65 3b4x s SER 297 Cb 0.14 -2.09 0.05 0.00 0.21 0.00 0.00 66.02 64.33 3b4x s SER 297 CO 0.20 0.25 0.84 0.12 0.41 0.00 0.00 173.24 175.07 3b4x s PHE 298 N -0.13 2.87 -0.44 2.43 5.36 -1.26 -4.98 117.98 121.82 3b4x s PHE 298 Ca 0.11 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.86 3b4x s PHE 298 Cb -0.12 -3.92 0.12 0.00 -0.34 0.00 0.00 43.02 38.76 3b4x s PHE 298 CO 0.01 -1.27 0.20 0.42 -1.46 0.00 0.00 175.22 173.12 3b4x s ILE 299 N 3.53 2.94 0.61 3.12 1.01 -1.26 -4.99 121.20 126.16 3b4x s ILE 299 Ca 0.25 -2.47 0.31 0.00 0.00 0.00 0.00 60.65 58.74 3b4x s ILE 299 Cb -0.15 -3.04 0.36 0.00 0.01 0.00 0.00 42.46 39.64 3b4x s ILE 299 CO 0.16 -0.71 2.07 1.55 0.00 0.00 0.00 174.94 178.01 3b4x h PRO 300 N 7.53 0.00 -0.49 2.79 0.13 -1.92 -1.52 132.00 138.53 3b4x h PRO 300 Ca -0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 3b4x h PRO 300 Cb 1.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 3b4x h PRO 300 CO 0.64 0.00 0.04 -0.40 -0.23 0.00 0.00 178.00 178.06 3b4x n ASP 301 N -3.56 4.86 -4.67 1.44 5.75 -1.26 -2.48 116.55 116.64 3b4x n ASP 301 Ca 0.01 -3.05 -0.50 0.00 -0.01 0.00 0.00 54.79 51.25 3b4x n ASP 301 Cb 0.35 -0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 39.74 3b4x n ASP 301 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3b4x n ARG 302 N 0.04 1.76 -3.71 0.11 0.63 -0.57 -4.97 116.66 109.96 3b4x n ARG 302 Ca 0.28 0.64 -0.13 0.00 -0.92 0.00 0.00 57.85 57.73 3b4x n ARG 302 Cb 1.12 -2.39 -0.13 0.00 0.45 0.00 0.00 32.46 31.51 3b4x n ARG 302 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3b4x s THR 303 N 2.31 -0.15 0.88 5.15 2.01 -1.26 -4.30 115.64 120.28 3b4x s THR 303 Ca 0.88 0.18 -0.15 0.00 0.31 0.00 0.00 61.69 62.91 3b4x s THR 303 Cb -0.81 -0.41 0.21 0.00 0.01 0.00 0.00 72.50 71.49 3b4x s THR 303 CO 0.49 0.07 0.94 -2.65 -0.69 0.00 0.00 174.62 172.79 3b4x n PRO 304 N 4.55 -1.94 -3.17 4.92 -0.02 -1.26 -5.14 135.00 132.94 3b4x n PRO 304 Ca -0.20 -1.48 -0.20 0.00 -2.02 0.00 0.00 63.50 59.60 3b4x n PRO 304 Cb 0.52 -1.19 -0.06 0.00 -0.02 0.00 0.00 33.50 32.75 3b4x n PRO 304 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3b4x n ASN 305 N -4.11 -1.22 -2.35 2.55 2.85 -1.26 -5.04 115.26 106.67 3b4x n ASN 305 Ca 0.12 -2.61 -0.17 0.00 -0.11 0.00 0.00 54.58 51.81 3b4x n ASN 305 Cb 0.46 0.12 -0.13 0.00 1.24 0.00 0.00 39.78 41.47 3b4x n ASN 305 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3b4x n PRO 306 N 2.55 2.24 -1.14 1.20 -0.04 -1.26 -4.96 135.00 133.58 3b4x n PRO 306 Ca 0.24 -1.21 -0.30 0.00 -0.04 0.00 0.00 63.50 62.19 3b4x n PRO 306 Cb 0.52 -2.16 0.13 0.00 -0.04 0.00 0.00 33.50 31.95 3b4x n PRO 306 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3b4x s HIS 307 N 1.45 2.31 -0.20 0.54 -3.43 -1.26 -4.96 115.29 109.74 3b4x s HIS 307 Ca 0.63 1.43 0.16 0.00 -0.80 0.00 0.00 55.06 56.47 3b4x s HIS 307 Cb 0.26 -3.13 0.62 0.00 -1.43 0.00 0.00 32.58 28.90 3b4x s HIS 307 CO -0.01 -2.27 1.52 1.28 -2.00 0.00 0.00 174.74 173.26 3b4x n LEU 308 N -3.82 4.44 0.23 5.38 4.77 -1.26 -4.70 117.00 122.04 3b4x n LEU 308 Ca 0.08 -3.01 0.15 0.00 -0.03 0.00 0.00 56.01 53.21 3b4x n LEU 308 Cb 0.54 -0.59 0.83 0.00 -2.33 0.00 0.00 43.42 41.87 3b4x n LEU 308 CO 0.54 0.67 1.13 0.28 -1.33 0.00 0.00 177.39 178.68 3b4x h SER 309 N 2.42 0.00 -0.40 -1.43 0.02 -1.90 0.27 113.55 112.53 3b4x h SER 309 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3b4x h SER 309 Cb 1.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.15 3b4x h SER 309 CO 0.31 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.49 3b4x n PHE 310 N -3.95 0.53 -1.90 3.45 3.72 -1.26 -4.76 117.46 113.28 3b4x n PHE 310 Ca -0.00 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3b4x n PHE 310 Cb 0.23 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3b4x n PHE 310 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3b4x n GLY 311 N 1.09 -1.18 3.64 1.37 0.00 0.08 -1.17 105.19 109.02 3b4x n GLY 311 Ca 0.16 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 3b4x n GLY 311 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3b4x s SER 312 N -4.00 -0.39 0.00 1.61 0.15 -1.26 -4.72 113.70 105.09 3b4x s SER 312 Ca 0.00 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.39 3b4x s SER 312 Cb 0.00 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 3b4x s SER 312 CO 0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3b4x n GLY 313 N 2.28 -0.44 0.25 9.45 0.00 -1.26 -4.01 105.19 111.47 3b4x n GLY 313 Ca -0.13 -1.89 0.17 0.00 0.00 0.00 0.00 46.02 44.17 3b4x n GLY 313 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3b4x h ILE 314 N 0.00 0.00 -0.10 -0.61 3.07 -1.88 -2.54 117.51 115.45 3b4x h ILE 314 Ca 0.00 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.98 3b4x h ILE 314 Cb 0.00 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 3b4x h ILE 314 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 3b4x n HIS 315 N -2.93 0.10 -1.66 0.16 8.25 -1.26 -4.97 115.22 112.92 3b4x n HIS 315 Ca 0.01 -0.05 -0.64 0.00 -0.26 0.00 0.00 57.72 56.78 3b4x n HIS 315 Cb 0.28 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.29 3b4x n HIS 315 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3b4x n LEU 316 N 1.08 0.86 -2.92 2.41 7.94 -0.96 -4.52 117.00 120.89 3b4x n LEU 316 Ca 0.16 1.17 -0.41 0.00 -1.11 0.00 0.00 56.01 55.82 3b4x n LEU 316 Cb 0.54 -0.92 -0.07 0.00 0.53 0.00 0.00 43.42 43.50 3b4x n LEU 316 CO 0.15 -1.20 1.01 0.00 -1.11 0.00 0.00 177.39 176.25 3b4x h LEU 318 N 5.01 0.24 -1.31 0.00 5.85 -1.92 -1.57 115.31 121.61 3b4x h LEU 318 Ca -0.15 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3b4x h LEU 318 Cb 0.93 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3b4x h LEU 318 CO 0.69 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 179.57 3b4x n GLY 319 N -1.52 0.59 0.21 3.75 0.00 -1.26 -4.45 105.19 102.51 3b4x n GLY 319 Ca 0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 3b4x n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b4x h ALA 320 N 3.94 0.25 -0.91 4.61 0.00 -1.64 0.24 119.26 125.75 3b4x h ALA 320 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3b4x h ALA 320 Cb 0.53 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3b4x h ALA 320 CO 0.00 -0.48 0.60 -1.35 0.00 0.00 0.00 179.25 178.02 3b4x h PRO 321 N -0.04 1.14 -0.20 0.00 0.11 -1.82 -1.39 132.00 129.80 3b4x h PRO 321 Ca 0.22 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3b4x h PRO 321 Cb 0.37 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3b4x h PRO 321 CO -0.49 0.76 -0.04 1.25 -0.21 0.00 0.00 178.00 179.27 3b4x h LEU 322 N 1.18 0.39 -0.46 2.35 5.85 -1.46 -1.87 115.31 121.28 3b4x h LEU 322 Ca 0.36 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3b4x h LEU 322 Cb -0.04 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3b4x h LEU 322 CO -0.10 0.65 0.23 0.00 -0.34 0.00 0.00 178.44 178.87 3b4x h ALA 323 N 0.75 0.58 -0.58 1.25 0.00 -0.32 0.50 119.26 121.44 3b4x h ALA 323 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3b4x h ALA 323 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3b4x h ALA 323 CO 0.02 -0.13 0.15 0.00 0.00 0.00 0.00 179.25 179.29 3b4x h ARG 324 N 0.45 0.90 -0.15 0.00 3.08 -1.23 0.51 114.38 117.94 3b4x h ARG 324 Ca 0.20 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3b4x h ARG 324 Cb 0.12 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3b4x h ARG 324 CO -0.15 0.80 -0.06 1.25 -1.07 0.00 0.00 179.97 180.75 3b4x h LEU 325 N 0.86 0.31 -0.43 3.04 5.85 -0.75 0.34 115.31 124.53 3b4x h LEU 325 Ca 0.19 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3b4x h LEU 325 Cb 0.31 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3b4x h LEU 325 CO -0.00 0.63 0.14 -0.33 -0.34 0.00 0.00 178.44 178.55 3b4x h GLU 326 N -0.01 0.66 -0.37 1.25 5.08 -0.72 -1.30 114.58 119.17 3b4x h GLU 326 Ca 0.04 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3b4x h GLU 326 Cb 0.51 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3b4x h GLU 326 CO 0.02 0.64 0.14 0.00 -1.00 0.00 0.00 179.01 178.81 3b4x h ALA 327 N 0.99 0.49 0.05 3.43 0.00 -0.88 0.10 119.26 123.45 3b4x h ALA 327 Ca 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3b4x h ALA 327 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3b4x h ALA 327 CO -0.01 0.10 -0.08 -0.09 0.00 0.00 0.00 179.25 179.17 3b4x h ARG 328 N 0.46 -0.16 -0.52 0.00 2.43 -0.79 -0.17 114.38 115.63 3b4x h ARG 328 Ca 0.12 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 3b4x h ARG 328 Cb 0.20 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3b4x h ARG 328 CO -0.01 -0.10 0.02 0.82 -1.51 0.00 0.00 179.97 179.19 3b4x h ILE 329 N -0.16 1.26 -0.26 1.20 2.04 -1.14 -1.13 117.51 119.32 3b4x h ILE 329 Ca 0.01 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 3b4x h ILE 329 Cb 0.17 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3b4x h ILE 329 CO -0.04 0.38 0.15 0.00 0.00 0.00 0.00 178.15 178.63 3b4x h ALA 330 N 0.95 0.33 -0.18 1.87 0.00 -0.62 -1.29 119.26 120.32 3b4x h ALA 330 Ca 0.15 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3b4x h ALA 330 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3b4x h ALA 330 CO 0.02 -0.16 -0.65 -0.07 0.00 0.00 0.00 179.25 178.39 3b4x h LEU 331 N 0.32 0.78 -0.43 0.00 3.38 -0.98 -1.37 115.31 117.00 3b4x h LEU 331 Ca 0.09 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 3b4x h LEU 331 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3b4x h LEU 331 CO -0.02 1.23 -0.19 -0.33 0.09 0.00 0.00 178.44 179.23 3b4x h GLU 332 N 0.49 0.89 -0.57 1.13 5.08 -1.16 -0.25 114.58 120.19 3b4x h GLU 332 Ca -0.02 -0.38 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 3b4x h GLU 332 Cb 1.25 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3b4x h GLU 332 CO 0.13 1.03 -0.01 0.93 -1.00 0.00 0.00 179.01 180.09 3b4x h GLU 333 N 0.72 1.00 -0.49 2.33 4.39 -1.25 -1.51 114.58 119.77 3b4x h GLU 333 Ca 0.10 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 3b4x h GLU 333 Cb 0.75 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 3b4x h GLU 333 CO 0.06 0.99 0.18 0.35 -1.16 0.00 0.00 179.01 179.43 3b4x h PHE 334 N 0.92 0.76 -0.57 4.33 3.57 -1.03 -1.69 116.94 123.22 3b4x h PHE 334 Ca 0.16 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3b4x h PHE 334 Cb 0.55 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3b4x h PHE 334 CO 0.04 0.64 0.06 0.00 -2.23 0.00 0.00 178.31 176.82 3b4x h ALA 335 N 1.03 1.03 -0.40 2.41 0.00 -0.85 0.47 119.26 122.95 3b4x h ALA 335 Ca 0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3b4x h ALA 335 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3b4x h ALA 335 CO -0.01 0.61 -0.24 -0.22 0.00 0.00 0.00 179.25 179.39 3b4x h LYS 336 N 0.88 0.83 0.18 0.00 3.64 -1.10 -3.32 116.57 117.67 3b4x h LYS 336 Ca 0.17 -0.35 -0.33 0.00 -1.27 0.00 0.00 60.65 58.88 3b4x h LYS 336 Cb 0.43 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3b4x h LYS 336 CO 0.01 0.98 -1.59 -0.22 -2.27 0.00 0.00 179.45 176.37 3b4x h LYS 337 N 0.71 0.37 -5.93 1.90 1.63 -1.12 -3.44 116.57 110.69 3b4x h LYS 337 Ca 0.09 -0.64 -0.53 0.00 -0.85 0.00 0.00 60.65 58.72 3b4x h LYS 337 Cb 0.78 0.24 -0.16 0.00 -0.60 0.00 0.00 32.23 32.48 3b4x h LYS 337 CO 0.06 1.27 -0.76 -0.06 -3.45 0.00 0.00 179.45 176.51 3b4x s PHE 338 N -2.60 1.94 -0.26 1.91 0.08 0.14 -1.88 117.98 117.31 3b4x s PHE 338 Ca -0.11 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.50 3b4x s PHE 338 Cb 0.06 -0.91 0.06 0.00 -0.57 0.00 0.00 43.02 41.66 3b4x s PHE 338 CO 0.88 0.45 -0.10 1.03 -0.10 0.00 0.00 175.22 177.37 3b4x s ARG 339 N -3.24 2.12 -0.22 0.44 3.00 -0.86 -4.59 118.95 115.61 3b4x s ARG 339 Ca 0.22 -1.29 -0.29 0.00 0.00 0.00 0.00 55.73 54.37 3b4x s ARG 339 Cb -0.04 -2.84 -0.01 0.00 0.00 0.00 0.00 34.95 32.06 3b4x s ARG 339 CO 0.09 -0.58 1.32 0.08 0.00 0.00 0.00 175.30 176.21 3b4x s VAL 340 N 1.15 4.15 -0.01 3.52 1.01 -1.26 -1.78 120.40 127.18 3b4x s VAL 340 Ca -0.08 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.07 3b4x s VAL 340 Cb -0.20 -4.02 -0.33 0.00 0.00 0.00 0.00 36.38 31.83 3b4x s VAL 340 CO -0.05 -0.29 0.90 0.11 0.00 0.00 0.00 175.10 175.77 3b4x h LYS 341 N 8.92 0.43 -1.73 2.72 1.57 -1.28 -3.49 116.57 123.71 3b4x h LYS 341 Ca -0.27 -0.74 0.18 0.00 -1.87 0.00 0.00 60.65 57.95 3b4x h LYS 341 Cb 1.11 0.28 -0.19 0.00 0.08 0.00 0.00 32.23 33.51 3b4x h LYS 341 CO 1.00 1.36 0.68 -1.83 -0.57 0.00 0.00 179.45 180.08 3b4x s GLU 342 N -2.54 0.50 -0.37 3.15 -1.05 -1.14 -5.01 118.70 112.24 3b4x s GLU 342 Ca -0.12 -0.13 -0.20 0.00 -0.15 0.00 0.00 54.97 54.37 3b4x s GLU 342 Cb 0.03 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.96 3b4x s GLU 342 CO 0.89 -0.21 0.61 0.42 0.95 0.00 0.00 175.26 177.92 3b4x s ILE 343 N -2.40 4.90 -0.11 1.83 -1.09 -1.26 -1.37 121.20 121.70 3b4x s ILE 343 Ca 0.06 0.42 -0.28 0.00 -2.23 0.00 0.00 60.65 58.63 3b4x s ILE 343 Cb -0.01 -4.09 -0.25 0.00 -1.58 0.00 0.00 42.46 36.53 3b4x s ILE 343 CO -0.05 -0.36 0.89 0.58 -1.23 0.00 0.00 174.94 174.76 3b4x h VAL 344 N 5.71 1.69 -2.79 2.92 2.07 -1.02 -3.48 116.25 121.36 3b4x h VAL 344 Ca -0.26 -2.12 -0.13 0.00 0.82 0.00 0.00 66.70 65.01 3b4x h VAL 344 Cb 1.11 3.12 -0.24 0.00 -1.52 0.00 0.00 31.29 33.76 3b4x h VAL 344 CO 0.84 0.55 -0.25 -0.75 0.02 0.00 0.00 177.57 177.98 3b4x s LYS 345 N -2.66 0.47 0.01 1.57 2.20 -1.13 -5.00 119.74 115.20 3b4x s LYS 345 Ca -0.18 0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.94 3b4x s LYS 345 Cb -0.02 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.53 3b4x s LYS 345 CO 0.70 -0.06 0.00 -1.59 -0.36 0.00 0.00 175.35 174.04 3b4x s LYS 346 N 0.13 0.16 -0.04 4.03 -2.85 -1.26 -0.11 119.74 119.80 3b4x s LYS 346 Ca -0.01 -0.26 -0.01 0.00 -1.00 0.00 0.00 55.97 54.69 3b4x s LYS 346 Cb -0.03 0.06 0.03 0.00 -2.06 0.00 0.00 37.83 35.83 3b4x s LYS 346 CO 0.01 -0.03 0.06 -1.21 0.10 0.00 0.00 175.35 174.28 3b4x s GLU 347 N -0.66 -0.04 0.47 1.78 2.02 0.19 -5.00 118.70 117.45 3b4x s GLU 347 Ca -0.07 0.32 -0.20 0.00 0.02 0.00 0.00 54.97 55.04 3b4x s GLU 347 Cb -0.05 -0.37 -0.09 0.00 0.10 0.00 0.00 34.13 33.72 3b4x s GLU 347 CO -0.00 -0.25 0.98 0.15 0.02 0.00 0.00 175.26 176.16 3b4x s LYS 348 N 1.69 4.03 0.26 1.61 -0.14 -1.26 -0.40 119.74 125.52 3b4x s LYS 348 Ca -0.02 1.16 -0.30 0.00 -1.36 0.00 0.00 55.97 55.45 3b4x s LYS 348 Cb -0.12 -2.14 -0.09 0.00 -1.68 0.00 0.00 37.83 33.79 3b4x s LYS 348 CO -0.03 -0.21 1.10 0.42 -0.76 0.00 0.00 175.35 175.86 3b4x s ILE 349 N -2.22 3.58 -0.59 2.17 1.01 0.15 -4.56 121.20 120.73 3b4x s ILE 349 Ca 0.63 1.53 -0.19 0.00 0.00 0.00 0.00 60.65 62.62 3b4x s ILE 349 Cb -0.11 -3.98 0.10 0.00 0.01 0.00 0.00 42.46 38.48 3b4x s ILE 349 CO 0.19 0.34 0.72 -0.62 0.00 0.00 0.00 174.94 175.57 3b4x s ASP 350 N -0.71 6.18 -0.10 3.58 -1.08 -1.26 -4.79 116.67 118.49 3b4x s ASP 350 Ca 0.46 -1.38 -0.30 0.00 -0.52 0.00 0.00 52.55 50.80 3b4x s ASP 350 Cb -0.31 -2.31 0.10 0.00 -1.46 0.00 0.00 42.92 38.94 3b4x s ASP 350 CO 0.39 -1.13 0.87 0.21 0.52 0.00 0.00 175.17 176.04 3b4x s ASN 351 N 3.60 -0.47 0.18 -0.34 3.84 -1.26 -5.06 114.94 115.42 3b4x s ASN 351 Ca 0.12 0.46 0.19 0.00 0.21 0.00 0.00 52.86 53.85 3b4x s ASN 351 Cb -0.23 0.40 -0.02 0.00 -0.55 0.00 0.00 41.25 40.85 3b4x s ASN 351 CO 0.07 -0.47 1.06 -0.33 -2.79 0.00 0.00 177.10 174.63 3b4x h GLU 352 N 2.64 0.00 0.00 0.43 5.08 -1.93 -3.40 114.58 117.40 3b4x h GLU 352 Ca -0.22 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.71 3b4x h GLU 352 Cb 1.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 3b4x h GLU 352 CO 0.34 0.17 -2.50 0.28 -1.00 0.00 0.00 179.01 176.31 3b4x n VAL 353 N -2.87 1.48 -2.95 3.13 0.31 -1.26 -4.72 118.33 111.45 3b4x n VAL 353 Ca -0.03 -0.46 -0.41 0.00 -0.01 0.00 0.00 64.34 63.43 3b4x n VAL 353 Cb 0.68 -1.67 -0.04 0.00 -0.91 0.00 0.00 33.84 31.90 3b4x n VAL 353 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3b4x s LEU 354 N -7.06 4.19 -0.31 7.52 1.43 -1.26 -0.64 118.68 122.55 3b4x s LEU 354 Ca -0.37 1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.83 3b4x s LEU 354 Cb 0.12 -3.15 0.05 0.00 0.03 0.00 0.00 46.19 43.24 3b4x s LEU 354 CO 0.53 -0.33 0.01 0.21 0.23 0.00 0.00 176.35 177.00 3b4x s ASN 355 N 1.11 4.94 -0.08 2.29 2.47 0.48 -4.50 114.94 121.65 3b4x s ASN 355 Ca 0.37 -1.28 -0.29 0.00 0.42 0.00 0.00 52.86 52.08 3b4x s ASN 355 Cb -0.17 -1.73 0.09 0.00 -1.45 0.00 0.00 41.25 38.00 3b4x s ASN 355 CO 0.13 -0.27 1.29 0.61 -3.72 0.00 0.00 177.10 175.14 3b4x n GLY 356 N 4.64 0.12 3.88 1.21 0.00 -1.26 -4.31 105.19 109.47 3b4x n GLY 356 Ca -0.13 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 3b4x n GLY 356 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b4x s TYR 357 N -2.02 3.60 -0.57 1.61 1.51 -1.26 -0.68 117.35 119.54 3b4x s TYR 357 Ca 0.31 0.53 0.23 0.00 -1.01 0.00 0.00 57.07 57.13 3b4x s TYR 357 Cb -0.00 -1.94 0.12 0.00 -0.11 0.00 0.00 41.96 40.03 3b4x s TYR 357 CO -0.02 0.73 1.10 2.89 -1.11 0.00 0.00 175.55 179.14 3b4x n ARG 358 N 1.90 0.33 -3.65 -0.62 0.00 0.46 -4.77 116.66 110.31 3b4x n ARG 358 Ca -0.19 0.03 -0.06 0.00 -0.00 0.00 0.00 57.85 57.63 3b4x n ARG 358 Cb 0.55 -1.64 -0.07 0.00 -0.00 0.00 0.00 32.46 31.30 3b4x n ARG 358 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3b4x s LYS 359 N -3.21 0.57 -0.32 2.89 2.20 -1.14 -4.74 119.74 115.99 3b4x s LYS 359 Ca 0.04 1.20 -0.02 0.00 -0.36 0.00 0.00 55.97 56.83 3b4x s LYS 359 Cb 0.14 0.34 0.12 0.00 -1.51 0.00 0.00 37.83 36.92 3b4x s LYS 359 CO 0.78 -0.18 0.18 -1.17 -0.36 0.00 0.00 175.35 174.60 3b4x s LEU 360 N 2.07 0.64 -0.13 5.43 2.96 -1.26 -0.64 118.68 127.76 3b4x s LEU 360 Ca -0.08 -1.62 -0.21 0.00 -0.22 0.00 0.00 54.13 52.00 3b4x s LEU 360 Cb -0.08 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 3b4x s LEU 360 CO -0.18 -0.38 0.61 -0.69 -1.32 0.00 0.00 176.35 174.39 3b4x s VAL 361 N 1.69 5.08 0.11 1.68 1.01 0.84 -1.11 120.40 129.70 3b4x s VAL 361 Ca 0.13 1.21 0.09 0.00 0.00 0.00 0.00 61.98 63.40 3b4x s VAL 361 Cb -0.19 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3b4x s VAL 361 CO -0.21 0.22 -0.22 0.68 0.00 0.00 0.00 175.10 175.57 3b4x s VAL 362 N 1.18 1.88 -0.18 2.92 -7.23 -0.11 -0.34 120.40 118.51 3b4x s VAL 362 Ca 0.31 -1.63 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 3b4x s VAL 362 Cb -0.16 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 3b4x s VAL 362 CO 0.13 -0.03 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.74 3b4x s ARG 363 N -2.00 3.62 0.33 4.82 0.52 -0.47 -1.92 118.95 123.85 3b4x s ARG 363 Ca 0.09 -0.53 0.04 0.00 -0.52 0.00 0.00 55.73 54.81 3b4x s ARG 363 Cb -0.10 -3.00 -0.06 0.00 0.52 0.00 0.00 34.95 32.31 3b4x s ARG 363 CO 0.05 0.10 0.06 0.14 0.02 0.00 0.00 175.30 175.66 3b4x s VAL 364 N 0.75 1.22 -0.01 3.52 -7.23 0.80 -0.74 120.40 118.70 3b4x s VAL 364 Ca -0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 3b4x s VAL 364 Cb -0.14 -2.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 3b4x s VAL 364 CO 0.02 -0.00 -0.12 -1.83 -0.31 0.00 0.00 175.10 172.86 3b4x s GLU 365 N -3.89 0.96 -0.08 4.82 -1.05 -0.73 -4.75 118.70 113.97 3b4x s GLU 365 Ca 0.36 -0.43 -0.29 0.00 -0.15 0.00 0.00 54.97 54.46 3b4x s GLU 365 Cb 0.09 -0.93 -0.07 0.00 -0.44 0.00 0.00 34.13 32.78 3b4x s GLU 365 CO 0.16 0.25 2.10 1.03 0.95 0.00 0.00 175.26 179.75 3b4x s ARG 366 N -0.30 3.66 0.00 -4.83 1.81 -1.26 -2.03 118.95 116.00 3b4x s ARG 366 Ca 0.04 2.35 0.00 0.00 -1.72 0.00 0.00 55.73 56.40 3b4x s ARG 366 Cb -0.05 -4.27 0.00 0.00 -0.45 0.00 0.00 34.95 30.19 3b4x s ARG 366 CO -0.00 -1.51 0.00 2.41 -0.68 0.00 0.00 175.30 175.52