#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s GLN 2 N 0.00 3.02 -0.19 2.12 1.03 -1.26 -0.33 119.66 124.04 3g4s s GLN 2 Ca 0.00 -0.45 -0.01 0.00 0.04 0.00 0.00 55.36 54.94 3g4s s GLN 2 Cb 0.00 -2.77 0.01 0.00 0.03 0.00 0.00 33.01 30.28 3g4s s GLN 2 CO 0.00 0.64 -0.14 0.00 -2.54 0.00 0.00 175.29 173.25 3g4s s ALA 3 N -0.72 2.51 -0.36 2.60 0.00 0.27 -4.69 121.76 121.37 3g4s s ALA 3 Ca 0.11 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 3g4s s ALA 3 Cb -0.12 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.66 3g4s s ALA 3 CO 0.02 -0.36 1.13 0.99 0.00 0.00 0.00 175.76 177.54 3g4s s THR 4 N 1.33 4.36 0.27 0.00 2.01 -1.26 -2.09 115.64 120.25 3g4s s THR 4 Ca 0.05 1.51 -0.25 0.00 0.31 0.00 0.00 61.69 63.31 3g4s s THR 4 Cb -0.14 -4.43 -0.09 0.00 0.01 0.00 0.00 72.50 67.86 3g4s s THR 4 CO -0.09 -0.63 0.87 -0.63 -0.69 0.00 0.00 174.62 173.45 3g4s s ILE 5 N 4.02 4.29 0.17 1.82 1.01 -1.08 -4.29 121.20 127.14 3g4s s ILE 5 Ca 0.48 1.73 0.11 0.00 0.00 0.00 0.00 60.65 62.97 3g4s s ILE 5 Cb -0.11 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3g4s s ILE 5 CO 0.21 0.27 -0.25 -0.31 0.00 0.00 0.00 174.94 174.86 3g4s s TYR 6 N -1.46 2.31 0.42 3.97 1.51 0.51 -1.87 117.35 122.74 3g4s s TYR 6 Ca 0.45 -0.36 0.08 0.00 -1.01 0.00 0.00 57.07 56.23 3g4s s TYR 6 Cb -0.20 -1.18 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 3g4s s TYR 6 CO 0.25 0.45 0.53 0.16 -1.11 0.00 0.00 175.55 175.83 3g4s s ASP 7 N -2.47 5.54 0.00 2.29 1.47 -1.08 -0.92 116.67 121.49 3g4s s ASP 7 Ca 0.19 -0.49 0.06 0.00 1.18 0.00 0.00 52.55 53.49 3g4s s ASP 7 Cb -0.09 -0.64 0.32 0.00 -0.34 0.00 0.00 42.92 42.18 3g4s s ASP 7 CO 0.09 -0.74 1.00 0.18 0.68 0.00 0.00 175.17 176.37 3g4s n LEU 8 N -1.79 0.00 -0.01 2.11 4.77 -1.26 -1.75 117.00 119.07 3g4s n LEU 8 Ca 0.07 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.33 3g4s n LEU 8 Cb 0.60 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 3g4s n LEU 8 CO 0.40 -0.18 -0.71 0.47 -1.33 0.00 0.00 177.39 176.03 3g4s n ASP 9 N -1.23 0.18 0.00 -1.43 8.00 -1.26 -4.79 116.55 116.03 3g4s n ASP 9 Ca 0.03 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3g4s n ASP 9 Cb 0.04 1.42 0.00 0.00 -0.02 0.00 0.00 41.12 42.56 3g4s n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g4s n GLY 10 N 1.37 1.29 3.60 0.44 0.00 -0.71 -4.93 105.19 106.25 3g4s n GLY 10 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 3g4s n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g4s s ASN 11 N -2.00 4.15 0.13 1.61 0.01 -1.26 -4.84 114.94 112.74 3g4s s ASN 11 Ca 0.00 -0.90 -0.31 0.00 -0.71 0.00 0.00 52.86 50.94 3g4s s ASN 11 Cb 0.00 -0.57 -0.07 0.00 0.41 0.00 0.00 41.25 41.02 3g4s s ASN 11 CO 0.00 -0.11 1.27 0.42 -1.51 0.00 0.00 177.10 177.17 3g4s s THR 12 N -2.46 3.57 -0.48 1.60 -4.23 -1.26 -2.64 115.64 109.74 3g4s s THR 12 Ca 0.33 1.19 0.08 0.00 -1.18 0.00 0.00 61.69 62.12 3g4s s THR 12 Cb -0.03 -3.76 0.36 0.00 1.34 0.00 0.00 72.50 70.40 3g4s s THR 12 CO 0.19 0.13 0.88 -0.67 -0.54 0.00 0.00 174.62 174.61 3g4s n ASP 13 N 3.39 3.03 0.00 3.99 -0.08 -0.78 -4.90 116.55 121.19 3g4s n ASP 13 Ca 0.08 -3.39 0.00 0.00 -1.51 0.00 0.00 54.79 49.97 3g4s n ASP 13 Cb 0.44 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 43.33 3g4s n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3g4s n GLY 14 N -0.07 -1.76 3.58 0.27 0.00 -1.26 -4.79 105.19 101.16 3g4s n GLY 14 Ca 0.28 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 3g4s n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3g4s s GLU 15 N 0.00 0.69 0.20 1.61 -1.05 -1.26 -2.64 118.70 116.25 3g4s s GLU 15 Ca 0.00 0.29 0.06 0.00 -0.15 0.00 0.00 54.97 55.17 3g4s s GLU 15 Cb 0.00 0.33 -0.05 0.00 -0.44 0.00 0.00 34.13 33.97 3g4s s GLU 15 CO 0.00 -0.19 -0.09 0.08 0.95 0.00 0.00 175.26 176.01 3g4s s VAL 16 N -0.82 1.39 0.30 1.83 1.01 -0.89 -4.95 120.40 118.28 3g4s s VAL 16 Ca -0.03 -2.11 -0.29 0.00 0.00 0.00 0.00 61.98 59.55 3g4s s VAL 16 Cb -0.01 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 3g4s s VAL 16 CO 0.02 -0.54 1.32 -1.81 0.00 0.00 0.00 175.10 174.09 3g4s s ASP 17 N -3.29 6.78 -0.34 3.32 1.01 -1.26 -0.57 116.67 122.33 3g4s s ASP 17 Ca 0.23 2.64 -0.26 0.00 0.71 0.00 0.00 52.55 55.87 3g4s s ASP 17 Cb 0.02 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.33 3g4s s ASP 17 CO 0.06 -0.55 0.94 -0.22 0.21 0.00 0.00 175.17 175.61 3g4s s LEU 18 N -1.39 4.00 0.66 1.23 2.96 0.55 -4.69 118.68 121.99 3g4s s LEU 18 Ca 0.51 0.75 -0.17 0.00 -0.22 0.00 0.00 54.13 55.00 3g4s s LEU 18 Cb -0.39 -3.31 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 3g4s s LEU 18 CO 0.50 -0.81 0.53 -0.81 -1.32 0.00 0.00 176.35 174.44 3g4s n PRO 19 N 6.68 0.40 -0.37 0.98 -0.04 -1.26 -4.09 135.00 137.30 3g4s n PRO 19 Ca 0.08 0.17 0.30 0.00 -0.04 0.00 0.00 63.50 64.01 3g4s n PRO 19 Cb 0.48 -1.79 0.61 0.00 -0.04 0.00 0.00 33.50 32.76 3g4s n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3g4s h ASP 20 N -0.11 0.29 0.31 3.54 5.19 -1.95 -1.92 116.42 121.77 3g4s h ASP 20 Ca -0.46 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3g4s h ASP 20 Cb 1.37 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.92 3g4s h ASP 20 CO 0.44 -0.00 0.00 1.33 -3.12 0.00 0.00 179.24 177.89 3g4s n VAL 21 N -4.53 1.30 1.13 -1.35 0.24 -1.26 -1.41 118.33 112.45 3g4s n VAL 21 Ca 0.29 0.39 0.08 0.00 -2.04 0.00 0.00 64.34 63.07 3g4s n VAL 21 Cb 1.13 -1.29 0.28 0.00 -1.47 0.00 0.00 33.84 32.50 3g4s n VAL 21 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3g4s n PHE 22 N -1.72 0.30 -1.48 6.34 3.01 -0.72 -3.06 117.46 120.13 3g4s n PHE 22 Ca 0.01 -0.15 0.04 0.00 1.01 0.00 0.00 57.45 58.36 3g4s n PHE 22 Cb 0.11 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.78 3g4s n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3g4s n GLU 23 N 0.34 1.67 -3.46 -1.08 1.02 -0.50 -4.82 120.64 113.81 3g4s n GLU 23 Ca 0.14 -3.17 -0.37 0.00 -0.02 0.00 0.00 57.16 53.73 3g4s n GLU 23 Cb 0.30 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 29.99 3g4s n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3g4s s THR 24 N -3.19 5.18 0.12 2.62 2.01 -1.17 -5.03 115.64 116.18 3g4s s THR 24 Ca 0.39 0.77 -0.31 0.00 0.31 0.00 0.00 61.69 62.85 3g4s s THR 24 Cb 0.37 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 69.06 3g4s s THR 24 CO -0.03 0.43 1.79 -2.16 -0.69 0.00 0.00 174.62 173.95 3g4s s PRO 25 N -0.01 4.15 -0.44 4.92 0.04 -1.26 -4.78 135.00 137.63 3g4s s PRO 25 Ca 0.22 2.54 -0.27 0.00 0.04 0.00 0.00 61.00 63.53 3g4s s PRO 25 Cb -0.15 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 3g4s s PRO 25 CO 0.09 -0.81 2.18 0.08 0.04 0.00 0.00 177.00 178.58 3g4s s VAL 26 N 2.60 3.13 -0.66 -0.36 1.01 -1.26 -4.77 120.40 120.09 3g4s s VAL 26 Ca 0.79 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 3g4s s VAL 26 Cb -0.45 -3.28 0.17 0.00 0.00 0.00 0.00 36.38 32.82 3g4s s VAL 26 CO 0.35 -0.24 0.47 -0.13 0.00 0.00 0.00 175.10 175.55 3g4s s ARG 27 N 7.30 2.58 0.49 2.72 0.52 -1.26 -4.94 118.95 126.35 3g4s s ARG 27 Ca 0.90 -2.77 0.29 0.00 -0.52 0.00 0.00 55.73 53.63 3g4s s ARG 27 Cb -0.20 -3.67 1.56 0.00 0.52 0.00 0.00 34.95 33.16 3g4s s ARG 27 CO 0.28 -1.19 1.86 0.66 0.02 0.00 0.00 175.30 176.93 3g4s h SER 28 N 6.58 0.00 0.47 0.23 4.64 -1.94 -1.32 113.55 122.22 3g4s h SER 28 Ca 0.02 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.10 3g4s h SER 28 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3g4s h SER 28 CO 0.73 0.00 -1.02 -2.24 -0.87 0.00 0.00 176.83 173.43 3g4s h ASP 29 N 0.00 0.45 0.73 4.97 2.03 -1.94 -1.53 116.42 121.13 3g4s h ASP 29 Ca 0.00 -0.40 -0.24 0.00 -0.73 0.00 0.00 57.03 55.66 3g4s h ASP 29 Cb 0.22 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 38.53 3g4s h ASP 29 CO 0.00 1.23 -1.38 -0.07 -1.03 0.00 0.00 179.24 177.99 3g4s h LEU 30 N 0.16 0.00 0.21 0.15 3.38 -1.67 -3.14 115.31 114.41 3g4s h LEU 30 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3g4s h LEU 30 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 3g4s h LEU 30 CO 0.17 0.94 -0.10 0.40 0.09 0.00 0.00 178.44 179.94 3g4s h ILE 31 N 0.00 0.84 -0.45 1.22 2.04 -1.49 -2.25 117.51 117.42 3g4s h ILE 31 Ca -0.17 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 64.94 3g4s h ILE 31 Cb 1.87 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 3g4s h ILE 31 CO 0.09 0.17 0.31 1.23 0.00 0.00 0.00 178.15 179.95 3g4s h GLY 32 N -0.74 0.39 1.29 5.37 0.00 -1.41 -0.94 103.07 107.03 3g4s h GLY 32 Ca -0.03 -0.12 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 3g4s h GLY 32 CO 0.05 0.09 -0.65 1.70 0.00 0.00 0.00 176.54 177.72 3g4s h LYS 33 N 0.30 0.72 0.00 4.80 3.64 -1.51 -1.95 116.57 122.58 3g4s h LYS 33 Ca 0.20 -0.52 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3g4s h LYS 33 Cb 0.41 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3g4s h LYS 33 CO -0.04 1.14 -0.00 0.00 -2.27 0.00 0.00 179.45 178.27 3g4s h ALA 34 N 0.74 1.00 0.13 5.00 0.00 -0.57 -1.71 119.26 123.84 3g4s h ALA 34 Ca -0.02 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 3g4s h ALA 34 Cb 1.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3g4s h ALA 34 CO 0.13 0.00 -1.85 0.28 0.00 0.00 0.00 179.25 177.82 3g4s h VAL 35 N 0.00 0.75 0.00 0.00 2.07 -1.25 -3.20 116.25 114.62 3g4s h VAL 35 Ca -0.00 -2.38 -0.07 0.00 0.82 0.00 0.00 66.70 65.08 3g4s h VAL 35 Cb 0.61 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 3g4s h VAL 35 CO 0.00 0.84 -0.31 0.03 0.02 0.00 0.00 177.57 178.15 3g4s h ARG 36 N -0.02 0.00 -0.00 1.57 3.08 -1.26 0.34 114.38 118.09 3g4s h ARG 36 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3g4s h ARG 36 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.03 3g4s h ARG 36 CO 0.09 0.31 -0.11 0.00 -1.07 0.00 0.00 179.97 179.19 3g4s n ALA 37 N -2.45 2.60 -0.10 0.04 0.00 -0.65 -2.41 120.51 117.55 3g4s n ALA 37 Ca -0.02 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.09 3g4s n ALA 37 Cb 0.37 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 3g4s n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g4s n ALA 38 N -1.50 1.37 -0.09 0.00 0.00 -0.52 -3.78 120.51 116.00 3g4s n ALA 38 Ca 0.07 -1.06 -0.12 0.00 0.00 0.00 0.00 53.44 52.33 3g4s n ALA 38 Cb 0.34 -0.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 3g4s n ALA 38 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3g4s h GLN 39 N 0.01 0.51 0.00 0.00 4.20 -1.03 -3.09 115.11 115.72 3g4s h GLN 39 Ca -0.55 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 57.91 3g4s h GLN 39 Cb 1.96 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.72 3g4s h GLN 39 CO -0.05 0.76 -0.17 0.00 -0.67 0.00 0.00 178.83 178.71 3g4s h ALA 40 N 0.74 1.05 0.00 3.87 0.00 -1.69 -3.02 119.26 120.21 3g4s h ALA 40 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3g4s h ALA 40 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3g4s h ALA 40 CO 0.03 0.21 -0.22 -0.91 0.00 0.00 0.00 179.25 178.37 3g4s h ASN 41 N 0.00 0.00 -0.52 0.00 2.35 -1.63 -2.98 115.58 112.80 3g4s h ASN 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g4s h ASN 41 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 3g4s h ASN 41 CO 0.02 0.22 0.00 -2.11 -1.65 0.00 0.00 177.43 173.91 3g4s n ARG 42 N -3.38 2.56 -2.70 0.81 1.85 -1.14 -4.95 116.66 109.71 3g4s n ARG 42 Ca 0.00 -2.38 -0.41 0.00 -1.00 0.00 0.00 57.85 54.05 3g4s n ARG 42 Cb 0.43 -1.53 -0.04 0.00 -1.05 0.00 0.00 32.46 30.26 3g4s n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3g4s s LYS 43 N -1.32 4.67 0.25 2.89 3.01 -1.13 -5.03 119.74 123.08 3g4s s LYS 43 Ca 0.43 1.47 -0.29 0.00 -1.01 0.00 0.00 55.97 56.57 3g4s s LYS 43 Cb 0.24 -3.38 -0.09 0.00 -1.01 0.00 0.00 37.83 33.59 3g4s s LYS 43 CO 0.32 0.16 0.92 -0.65 0.51 0.00 0.00 175.35 176.61 3g4s s GLN 44 N 0.12 4.77 -0.04 1.68 -0.21 -1.26 -4.98 119.66 119.75 3g4s s GLN 44 Ca 0.48 1.41 -0.30 0.00 0.02 0.00 0.00 55.36 56.97 3g4s s GLN 44 Cb -0.24 -3.19 -0.05 0.00 1.00 0.00 0.00 33.01 30.54 3g4s s GLN 44 CO 0.30 0.48 1.38 -0.51 -2.12 0.00 0.00 175.29 174.82 3g4s s ASP 45 N -1.26 6.87 0.28 5.90 -0.00 -1.26 -5.02 116.67 122.18 3g4s s ASP 45 Ca 0.42 2.02 0.00 0.00 -0.00 0.00 0.00 52.55 54.99 3g4s s ASP 45 Cb -0.24 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.13 3g4s s ASP 45 CO 0.30 -0.73 0.02 0.00 -0.00 0.00 0.00 175.17 174.76 3g4s n TYR 46 N 5.74 0.49 0.00 4.23 0.18 -1.26 -5.01 117.16 121.53 3g4s n TYR 46 Ca 0.13 -1.36 0.00 0.00 1.88 0.00 0.00 57.90 58.55 3g4s n TYR 46 Cb 0.44 -0.19 0.00 0.00 -0.38 0.00 0.00 39.34 39.21 3g4s n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3g4s n GLY 47 N 1.66 4.29 3.81 -7.48 0.00 -1.26 -2.76 105.19 103.45 3g4s n GLY 47 Ca -0.11 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 3g4s n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g4s s SER 48 N 0.00 4.80 0.28 1.61 1.04 -1.17 -4.92 113.70 115.33 3g4s s SER 48 Ca 0.00 1.40 -0.30 0.00 0.48 0.00 0.00 55.95 57.53 3g4s s SER 48 Cb 0.00 -2.19 -0.12 0.00 0.10 0.00 0.00 66.02 63.81 3g4s s SER 48 CO 0.00 -1.79 1.48 -0.67 0.98 0.00 0.00 173.24 173.25 3g4s n ASP 49 N -3.33 3.27 -0.27 7.02 -0.08 -1.26 -4.90 116.55 117.00 3g4s n ASP 49 Ca 0.07 1.15 -0.02 0.00 -1.51 0.00 0.00 54.79 54.48 3g4s n ASP 49 Cb 0.55 -1.51 0.15 0.00 2.34 0.00 0.00 41.12 42.65 3g4s n ASP 49 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3g4s h GLU 50 N 4.27 1.12 -0.48 -0.67 5.08 -1.99 -3.13 114.58 118.79 3g4s h GLU 50 Ca -0.46 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 3g4s h GLU 50 Cb 1.25 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3g4s h GLU 50 CO 0.76 0.82 0.00 0.66 -1.00 0.00 0.00 179.01 180.25 3g4s n TYR 51 N -4.35 0.63 -1.75 4.33 4.02 -1.26 -4.94 117.16 113.84 3g4s n TYR 51 Ca 0.08 -0.32 -0.42 0.00 -0.01 0.00 0.00 57.90 57.24 3g4s n TYR 51 Cb 0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.39 3g4s n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3g4s s ALA 52 N -1.37 3.87 0.00 -0.72 0.00 -1.19 -1.70 121.76 120.66 3g4s s ALA 52 Ca 0.37 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.91 3g4s s ALA 52 Cb 0.20 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3g4s s ALA 52 CO 0.27 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.50 3g4s n GLY 53 N 3.37 3.00 0.01 0.00 0.00 -1.26 -4.31 105.19 106.00 3g4s n GLY 53 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3g4s n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g4s n LEU 54 N 0.00 0.48 -3.77 0.99 4.77 -0.69 -3.35 117.00 115.43 3g4s n LEU 54 Ca 0.00 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 3g4s n LEU 54 Cb 0.00 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 3g4s n LEU 54 CO 0.00 0.07 2.52 0.54 -1.33 0.00 0.00 177.39 179.19 3g4s n ARG 55 N -1.63 2.60 -3.56 3.23 1.74 -1.21 -4.77 116.66 113.06 3g4s n ARG 55 Ca 0.05 -2.50 -0.12 0.00 -0.77 0.00 0.00 57.85 54.51 3g4s n ARG 55 Cb 0.36 -3.24 -0.05 0.00 -1.02 0.00 0.00 32.46 28.51 3g4s n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3g4s s THR 56 N 3.71 0.00 -0.62 0.55 -1.32 -1.26 -5.05 115.64 111.65 3g4s s THR 56 Ca 0.50 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.14 3g4s s THR 56 Cb 0.13 -1.00 0.78 0.00 -1.51 0.00 0.00 72.50 70.90 3g4s s THR 56 CO -0.04 0.00 1.70 -0.81 -2.21 0.00 0.00 174.62 173.26 3g4s n PRO 57 N 0.71 4.39 -1.51 7.08 -0.04 -1.26 -5.03 135.00 139.34 3g4s n PRO 57 Ca -0.12 -3.05 -0.59 0.00 -0.04 0.00 0.00 63.50 59.69 3g4s n PRO 57 Cb 0.58 -2.11 -0.08 0.00 -0.04 0.00 0.00 33.50 31.85 3g4s n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g4s n ALA 58 N 0.82 -3.44 -2.66 0.55 0.00 -1.26 -5.01 120.51 109.51 3g4s n ALA 58 Ca 0.27 0.59 -0.15 0.00 0.00 0.00 0.00 53.44 54.14 3g4s n ALA 58 Cb 1.07 -1.76 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 3g4s n ALA 58 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3g4s s GLU 59 N 0.25 0.75 0.09 0.00 2.12 -0.90 -4.64 118.70 116.37 3g4s s GLU 59 Ca 0.91 -0.98 -0.13 0.00 0.36 0.00 0.00 54.97 55.13 3g4s s GLU 59 Cb -1.28 -0.56 -0.06 0.00 0.26 0.00 0.00 34.13 32.49 3g4s s GLU 59 CO 0.59 0.11 0.47 0.45 -0.54 0.00 0.00 175.26 176.33 3g4s s SER 60 N -1.98 6.76 -0.18 -1.70 0.15 -1.26 -0.50 113.70 114.99 3g4s s SER 60 Ca -0.01 0.95 0.05 0.00 0.70 0.00 0.00 55.95 57.64 3g4s s SER 60 Cb -0.07 -2.24 0.40 0.00 -1.71 0.00 0.00 66.02 62.40 3g4s s SER 60 CO 0.01 0.18 1.32 0.49 1.20 0.00 0.00 173.24 176.44 3g4s n PHE 61 N 1.07 1.36 -4.79 3.44 3.01 -1.26 -4.98 117.46 115.31 3g4s n PHE 61 Ca -0.08 -0.79 0.00 0.00 1.01 0.00 0.00 57.45 57.59 3g4s n PHE 61 Cb 0.52 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 3g4s n PHE 61 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g4s n GLY 62 N -0.01 2.41 3.33 1.37 0.00 -1.26 -4.60 105.19 106.43 3g4s n GLY 62 Ca 0.23 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3g4s n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g4s s SER 63 N -4.00 4.28 0.00 1.61 0.01 -1.26 -4.63 113.70 109.70 3g4s s SER 63 Ca 0.00 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.90 3g4s s SER 63 Cb 0.00 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.51 3g4s s SER 63 CO 0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29 3g4s n GLY 64 N 4.47 1.39 0.85 3.44 0.00 -1.26 -5.00 105.19 109.08 3g4s n GLY 64 Ca -0.18 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 45.78 3g4s n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3g4s n ARG 65 N 0.00 2.22 -1.67 1.61 1.85 -1.26 -4.91 116.66 114.50 3g4s n ARG 65 Ca 0.00 -1.37 -0.09 0.00 -1.00 0.00 0.00 57.85 55.40 3g4s n ARG 65 Cb 0.00 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 29.89 3g4s n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3g4s n GLY 66 N 0.78 0.58 3.34 2.89 0.00 -1.26 -5.04 105.19 106.48 3g4s n GLY 66 Ca 0.12 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 3g4s n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g4s s GLN 67 N -3.52 1.31 0.36 1.61 -0.21 -1.26 -5.13 119.66 112.82 3g4s s GLN 67 Ca 0.00 -1.54 -0.27 0.00 0.02 0.00 0.00 55.36 53.57 3g4s s GLN 67 Cb 0.00 -1.16 -0.09 0.00 1.00 0.00 0.00 33.01 32.75 3g4s s GLN 67 CO 0.00 0.20 1.25 0.00 -2.12 0.00 0.00 175.29 174.63 3g4s s ALA 68 N -2.73 3.34 -1.16 6.09 0.00 -1.26 -4.84 121.76 121.19 3g4s s ALA 68 Ca 0.20 1.15 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 3g4s s ALA 68 Cb -0.02 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 3g4s s ALA 68 CO 0.07 -0.62 1.93 0.72 0.00 0.00 0.00 175.76 177.86 3g4s n HIS 69 N 0.47 2.65 -5.20 0.00 -0.00 -1.26 -4.89 115.22 106.99 3g4s n HIS 69 Ca 0.02 -1.46 -0.32 0.00 -0.00 0.00 0.00 57.72 55.96 3g4s n HIS 69 Cb 0.44 -2.57 -0.16 0.00 -0.00 0.00 0.00 29.99 27.70 3g4s n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3g4s s VAL 70 N 10.79 2.23 0.06 1.59 1.01 -1.26 -5.03 120.40 129.80 3g4s s VAL 70 Ca 0.68 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3g4s s VAL 70 Cb 0.00 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.48 3g4s s VAL 70 CO 0.14 0.57 1.80 -2.84 0.00 0.00 0.00 175.10 174.77 3g4s s PRO 71 N -0.30 4.16 0.07 2.72 0.02 -1.26 -4.24 135.00 136.17 3g4s s PRO 71 Ca 0.01 2.48 0.07 0.00 0.02 0.00 0.00 61.00 63.58 3g4s s PRO 71 Cb -0.13 -3.81 -0.03 0.00 0.02 0.00 0.00 34.50 30.56 3g4s s PRO 71 CO 0.02 -0.85 -0.18 0.15 -0.33 0.00 0.00 177.00 175.81 3g4s s LYS 72 N 3.37 1.09 -0.16 5.54 1.02 0.34 -1.78 119.74 129.16 3g4s s LYS 72 Ca 0.80 -1.01 -0.04 0.00 0.02 0.00 0.00 55.97 55.74 3g4s s LYS 72 Cb -0.42 -1.23 0.07 0.00 -0.52 0.00 0.00 37.83 35.74 3g4s s LYS 72 CO 0.36 0.29 0.18 -1.14 -0.92 0.00 0.00 175.35 174.13 3g4s s GLN 73 N -1.60 0.13 -1.40 1.68 2.00 0.15 -2.11 119.66 118.49 3g4s s GLN 73 Ca 0.04 0.27 0.00 0.00 -2.00 0.00 0.00 55.36 53.67 3g4s s GLN 73 Cb -0.09 -1.04 0.00 0.00 0.80 0.00 0.00 33.01 32.68 3g4s s GLN 73 CO 0.03 -0.56 0.00 -0.25 -0.50 0.00 0.00 175.29 174.01 3g4s n ASP 74 N 5.31 -4.60 0.00 6.67 8.00 -1.26 -2.49 116.55 128.19 3g4s n ASP 74 Ca -0.06 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.63 3g4s n ASP 74 Cb 0.50 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 3g4s n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g4s n GLY 75 N -1.11 0.75 3.59 0.44 0.00 -1.26 -5.05 105.19 102.54 3g4s n GLY 75 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3g4s n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4s s ARG 76 N -0.52 2.99 -0.30 1.61 3.00 -1.04 -5.09 118.95 119.60 3g4s s ARG 76 Ca 0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 55.73 55.01 3g4s s ARG 76 Cb 0.00 -2.70 -0.01 0.00 0.00 0.00 0.00 34.95 32.24 3g4s s ARG 76 CO 0.00 0.58 0.67 0.00 0.00 0.00 0.00 175.30 176.55 3g4s s ALA 77 N -0.58 3.53 0.55 2.13 0.00 -1.26 -0.68 121.76 125.45 3g4s s ALA 77 Ca 0.09 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3g4s s ALA 77 Cb -0.12 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 19.89 3g4s s ALA 77 CO 0.02 -1.10 0.30 0.54 0.00 0.00 0.00 175.76 175.52 3g4s n ARG 78 N 5.96 0.69 0.00 0.00 3.00 -0.73 -4.48 116.66 121.10 3g4s n ARG 78 Ca 0.00 -3.57 0.00 0.00 -0.01 0.00 0.00 57.85 54.28 3g4s n ARG 78 Cb 0.49 0.56 0.00 0.00 0.00 0.00 0.00 32.46 33.50 3g4s n ARG 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3g4s n ARG 79 N -1.66 0.00 -0.92 5.56 0.63 -1.21 -4.55 116.66 114.51 3g4s n ARG 79 Ca -0.08 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.51 3g4s n ARG 79 Cb 0.64 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.52 3g4s n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3g4s n VAL 80 N 0.00 0.69 -0.38 5.15 0.24 -1.26 0.88 118.33 123.64 3g4s n VAL 80 Ca 0.00 -0.17 0.34 0.00 -2.04 0.00 0.00 64.34 62.47 3g4s n VAL 80 Cb 0.00 0.00 0.68 0.00 -1.47 0.00 0.00 33.84 33.05 3g4s n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3g4s h PRO 81 N 1.23 0.12 0.00 7.34 0.11 -1.93 -1.47 132.00 137.41 3g4s h PRO 81 Ca -0.25 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 3g4s h PRO 81 Cb 0.92 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3g4s h PRO 81 CO 0.39 0.08 -0.19 -0.56 -0.21 0.00 0.00 178.00 177.51 3g4s h GLN 82 N 0.12 0.00 -6.65 1.05 -0.00 -1.88 -3.46 115.11 104.29 3g4s h GLN 82 Ca 0.65 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 58.80 3g4s h GLN 82 Cb 2.27 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 29.72 3g4s h GLN 82 CO -0.15 0.19 0.20 0.00 -0.00 0.00 0.00 178.83 179.07 3g4s s ALA 83 N -3.16 3.37 0.24 0.06 0.00 -0.55 -5.02 121.76 116.69 3g4s s ALA 83 Ca 0.05 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 3g4s s ALA 83 Cb 0.06 -2.97 -0.10 0.00 0.00 0.00 0.00 23.12 20.11 3g4s s ALA 83 CO 0.69 0.27 1.36 0.08 0.00 0.00 0.00 175.76 178.17 3g4s s VAL 84 N -1.43 2.91 -0.07 0.00 1.01 -1.26 -1.47 120.40 120.09 3g4s s VAL 84 Ca 0.43 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.18 3g4s s VAL 84 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3g4s s VAL 84 CO 0.24 0.13 0.00 0.29 0.00 0.00 0.00 175.10 175.76 3g4s n LYS 85 N 2.27 -0.20 -2.37 2.72 4.76 -1.26 -4.74 118.16 119.34 3g4s n LYS 85 Ca 0.06 0.21 -0.25 0.00 -2.87 0.00 0.00 58.31 55.45 3g4s n LYS 85 Cb 0.42 -3.50 0.13 0.00 -1.84 0.00 0.00 35.03 30.23 3g4s n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3g4s s GLY 86 N -2.29 1.76 0.69 0.72 0.00 -0.54 -4.52 107.32 103.14 3g4s s GLY 86 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 44.72 43.08 3g4s s GLY 86 CO 0.00 -0.91 1.08 1.09 0.00 0.00 0.00 173.10 174.36 3g4s s ARG 87 N -5.36 2.78 -0.08 2.90 1.70 0.25 -4.66 118.95 116.49 3g4s s ARG 87 Ca 0.68 1.13 -0.22 0.00 -0.47 0.00 0.00 55.73 56.85 3g4s s ARG 87 Cb -0.05 -1.96 -0.04 0.00 -0.57 0.00 0.00 34.95 32.32 3g4s s ARG 87 CO 0.47 -1.23 0.62 0.45 -1.08 0.00 0.00 175.30 174.53 3g4s s SER 88 N -3.32 6.89 0.05 -2.89 0.15 -1.26 -4.04 113.70 109.28 3g4s s SER 88 Ca 0.61 1.07 -0.34 0.00 0.70 0.00 0.00 55.95 57.99 3g4s s SER 88 Cb -0.16 -2.37 -0.19 0.00 -1.71 0.00 0.00 66.02 61.59 3g4s s SER 88 CO 0.50 -0.07 1.48 0.00 1.20 0.00 0.00 173.24 176.35 3g4s h ALA 89 N 6.68 -1.12 -2.79 5.45 0.00 -1.95 -3.37 119.26 122.15 3g4s h ALA 89 Ca -0.41 -0.25 -0.61 0.00 0.00 0.00 0.00 54.91 53.64 3g4s h ALA 89 Cb 1.19 0.43 -0.40 0.00 0.00 0.00 0.00 17.79 19.01 3g4s h ALA 89 CO 0.75 -1.09 -0.75 -1.01 0.00 0.00 0.00 179.25 177.15 3g4s s HIS 90 N -5.68 2.42 0.81 0.00 3.76 -1.26 -5.12 115.29 110.23 3g4s s HIS 90 Ca -0.18 -2.85 -0.12 0.00 -0.15 0.00 0.00 55.06 51.77 3g4s s HIS 90 Cb 0.02 -1.92 0.08 0.00 1.11 0.00 0.00 32.58 31.88 3g4s s HIS 90 CO 0.57 -0.68 1.18 -1.25 -0.85 0.00 0.00 174.74 173.71 3g4s s PRO 91 N -0.66 1.92 0.18 8.40 0.04 -1.26 -5.03 135.00 138.59 3g4s s PRO 91 Ca 0.27 0.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.09 3g4s s PRO 91 Cb -0.03 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 3g4s s PRO 91 CO -0.16 -1.62 1.27 -2.14 0.04 0.00 0.00 177.00 174.39 3g4s s PRO 92 N -5.58 4.42 0.08 0.56 0.02 -1.26 -4.99 135.00 128.25 3g4s s PRO 92 Ca 0.62 1.97 0.05 0.00 0.02 0.00 0.00 61.00 63.67 3g4s s PRO 92 Cb -0.11 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 3g4s s PRO 92 CO 0.49 -0.21 -0.05 0.15 -0.33 0.00 0.00 177.00 177.05 3g4s s LYS 93 N 0.04 2.39 0.25 5.54 1.02 -1.26 -3.07 119.74 124.65 3g4s s LYS 93 Ca 0.56 -0.89 0.13 0.00 0.02 0.00 0.00 55.97 55.79 3g4s s LYS 93 Cb -0.35 -2.45 0.18 0.00 -0.52 0.00 0.00 37.83 34.70 3g4s s LYS 93 CO 0.36 0.54 1.49 1.15 -0.92 0.00 0.00 175.35 177.97 3g4s h THR 94 N 3.14 1.23 0.00 2.17 2.02 -1.87 -3.18 112.91 116.42 3g4s h THR 94 Ca -0.48 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.30 3g4s h THR 94 Cb 1.17 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 3g4s h THR 94 CO 0.56 0.63 0.00 -0.62 0.37 0.00 0.00 175.52 176.46 3g4s n GLU 95 N -3.44 0.13 -2.38 6.66 4.71 -1.26 -4.82 120.64 120.24 3g4s n GLU 95 Ca 0.00 0.18 -0.40 0.00 -0.01 0.00 0.00 57.16 56.93 3g4s n GLU 95 Cb 0.72 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.62 3g4s n GLU 95 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 3g4s s LYS 96 N -2.75 4.57 -0.58 3.49 2.20 -1.20 -5.00 119.74 120.47 3g4s s LYS 96 Ca 0.12 1.91 -0.19 0.00 -0.36 0.00 0.00 55.97 57.45 3g4s s LYS 96 Cb 0.10 -3.16 0.09 0.00 -1.51 0.00 0.00 37.83 33.35 3g4s s LYS 96 CO 0.26 0.11 0.71 0.34 -0.36 0.00 0.00 175.35 176.40 3g4s s ASP 97 N -0.75 6.19 0.00 1.43 3.68 -1.26 -4.86 116.67 121.09 3g4s s ASP 97 Ca 0.46 -1.29 0.20 0.00 2.13 0.00 0.00 52.55 54.05 3g4s s ASP 97 Cb -0.34 -2.31 0.53 0.00 -1.45 0.00 0.00 42.92 39.36 3g4s s ASP 97 CO 0.44 -1.09 1.45 0.54 0.13 0.00 0.00 175.17 176.64 3g4s n ARG 98 N 6.39 2.35 -3.63 4.34 1.74 -1.26 -4.92 116.66 121.67 3g4s n ARG 98 Ca -0.08 -2.08 -0.37 0.00 -0.77 0.00 0.00 57.85 54.54 3g4s n ARG 98 Cb 0.43 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.34 3g4s n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3g4s s SER 99 N -1.21 6.60 -0.20 0.55 1.04 -1.26 -4.48 113.70 114.75 3g4s s SER 99 Ca 0.39 0.72 -0.05 0.00 0.48 0.00 0.00 55.95 57.49 3g4s s SER 99 Cb 0.21 -2.18 -0.02 0.00 0.10 0.00 0.00 66.02 64.13 3g4s s SER 99 CO 0.29 0.31 -0.01 -0.76 0.98 0.00 0.00 173.24 174.05 3g4s s LEU 100 N -0.78 3.23 0.29 2.42 1.43 -1.26 -5.04 118.68 118.97 3g4s s LEU 100 Ca 0.20 -0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 3g4s s LEU 100 Cb -0.14 -1.82 -0.09 0.00 0.03 0.00 0.00 46.19 44.17 3g4s s LEU 100 CO 0.09 0.06 0.83 -1.81 0.23 0.00 0.00 176.35 175.75 3g4s s ASP 101 N 1.01 7.13 -0.08 2.29 1.11 -1.26 -4.92 116.67 121.96 3g4s s ASP 101 Ca 0.02 1.60 -0.03 0.00 0.18 0.00 0.00 52.55 54.31 3g4s s ASP 101 Cb -0.14 -2.49 0.04 0.00 1.07 0.00 0.00 42.92 41.40 3g4s s ASP 101 CO 0.02 -0.07 0.16 -0.22 1.18 0.00 0.00 175.17 176.24 3g4s s LEU 102 N -2.21 0.37 0.26 1.23 2.96 -1.26 -5.09 118.68 114.94 3g4s s LEU 102 Ca 0.49 0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 54.42 3g4s s LEU 102 Cb -0.16 0.36 -0.12 0.00 0.50 0.00 0.00 46.19 46.77 3g4s s LEU 102 CO 0.21 -0.19 1.61 0.59 -1.32 0.00 0.00 176.35 177.25 3g4s n ASN 103 N 4.67 3.71 -0.27 3.68 4.13 -1.26 -4.89 115.26 125.03 3g4s n ASN 103 Ca -0.18 1.12 0.08 0.00 1.68 0.00 0.00 54.58 57.29 3g4s n ASN 103 Cb 0.51 -1.56 0.22 0.00 -1.54 0.00 0.00 39.78 37.41 3g4s n ASN 103 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3g4s h ASP 104 N 5.30 -0.11 -0.54 6.41 3.32 -2.00 -1.86 116.42 126.95 3g4s h ASP 104 Ca -0.46 0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 3g4s h ASP 104 Cb 1.23 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 41.03 3g4s h ASP 104 CO 0.84 -0.13 0.09 0.11 -1.72 0.00 0.00 179.24 178.43 3g4s h LYS 105 N 0.19 0.93 -0.23 3.56 1.57 -1.99 -0.99 116.57 119.61 3g4s h LYS 105 Ca 0.47 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3g4s h LYS 105 Cb 0.87 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3g4s h LYS 105 CO -0.62 0.87 -0.19 0.93 -0.57 0.00 0.00 179.45 179.87 3g4s h GLU 106 N 0.88 0.41 0.03 3.15 5.08 -1.72 0.18 114.58 122.59 3g4s h GLU 106 Ca 0.18 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 3g4s h GLU 106 Cb 0.39 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.62 3g4s h GLU 106 CO 0.01 0.58 -0.73 -0.09 -1.00 0.00 0.00 179.01 177.79 3g4s h ARG 107 N 0.37 0.43 -0.22 2.33 2.43 -1.15 -2.41 114.38 116.16 3g4s h ARG 107 Ca 0.06 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 3g4s h ARG 107 Cb 0.54 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3g4s h ARG 107 CO 0.04 1.17 0.10 1.96 -1.51 0.00 0.00 179.97 181.72 3g4s h GLN 108 N -0.08 0.33 -0.13 0.20 4.20 -0.95 -1.50 115.11 117.18 3g4s h GLN 108 Ca -0.10 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 3g4s h GLN 108 Cb 1.45 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 3g4s h GLN 108 CO 0.14 0.36 -0.16 1.25 -0.67 0.00 0.00 178.83 179.76 3g4s h LEU 109 N 0.22 0.19 -0.55 1.46 5.85 -0.74 -1.79 115.31 119.95 3g4s h LEU 109 Ca 0.08 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 3g4s h LEU 109 Cb 0.15 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3g4s h LEU 109 CO -0.01 0.37 -0.59 0.00 -0.34 0.00 0.00 178.44 177.87 3g4s h ALA 110 N 1.65 0.73 -0.07 1.25 0.00 -1.07 -0.28 119.26 121.48 3g4s h ALA 110 Ca 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3g4s h ALA 110 Cb 0.40 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3g4s h ALA 110 CO 0.02 0.71 0.01 0.28 0.00 0.00 0.00 179.25 180.27 3g4s h VAL 111 N 0.33 1.22 -0.78 0.00 2.07 -0.58 -0.58 116.25 117.92 3g4s h VAL 111 Ca -0.00 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 66.92 3g4s h VAL 111 Cb 1.12 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 3g4s h VAL 111 CO 0.10 0.19 0.46 0.03 0.02 0.00 0.00 177.57 178.37 3g4s h ARG 112 N -0.13 0.79 -0.06 1.57 3.08 -1.21 0.41 114.38 118.84 3g4s h ARG 112 Ca 0.02 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 3g4s h ARG 112 Cb 0.29 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3g4s h ARG 112 CO 0.00 0.52 -0.52 1.03 -1.07 0.00 0.00 179.97 179.93 3g4s h SER 113 N 0.81 0.17 0.54 7.04 0.87 -0.84 -0.75 113.55 121.38 3g4s h SER 113 Ca 0.36 -0.09 -0.26 0.00 -1.23 0.00 0.00 61.79 60.57 3g4s h SER 113 Cb 0.25 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3g4s h SER 113 CO -0.20 0.67 -1.17 0.00 -0.53 0.00 0.00 176.83 175.59 3g4s h ALA 114 N 1.34 0.16 -0.13 6.23 0.00 0.23 -2.42 119.26 124.67 3g4s h ALA 114 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 54.91 54.00 3g4s h ALA 114 Cb 0.97 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3g4s h ALA 114 CO 0.08 0.92 -0.28 1.25 0.00 0.00 0.00 179.25 181.21 3g4s h LEU 115 N 0.12 0.24 -0.05 0.00 5.85 -0.00 -2.34 115.31 119.13 3g4s h LEU 115 Ca -0.12 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.36 3g4s h LEU 115 Cb 1.87 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 3g4s h LEU 115 CO 0.20 0.53 -0.75 0.00 -0.34 0.00 0.00 178.44 178.08 3g4s h ALA 116 N 1.49 0.53 0.00 1.25 0.00 -1.09 -3.11 119.26 118.33 3g4s h ALA 116 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3g4s h ALA 116 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3g4s h ALA 116 CO 0.04 0.94 0.00 0.00 0.00 0.00 0.00 179.25 180.23 3g4s n ALA 117 N -2.29 1.81 0.53 0.00 0.00 -0.89 -1.74 120.51 117.93 3g4s n ALA 117 Ca 0.01 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.51 3g4s n ALA 117 Cb 0.83 -1.26 0.26 0.00 0.00 0.00 0.00 19.45 19.28 3g4s n ALA 117 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3g4s h THR 118 N 0.00 0.00 0.00 0.00 2.02 -1.53 -3.32 112.91 110.08 3g4s h THR 118 Ca 0.00 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 3g4s h THR 118 Cb 0.23 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3g4s h THR 118 CO 0.00 0.00 -0.77 0.00 0.37 0.00 0.00 175.52 175.12 3g4s h ALA 119 N 2.43 0.69 -2.19 6.16 0.00 -1.52 -2.99 119.26 121.84 3g4s h ALA 119 Ca 0.00 -0.42 -0.63 0.00 0.00 0.00 0.00 54.91 53.86 3g4s h ALA 119 Cb 0.78 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 3g4s h ALA 119 CO 0.00 0.51 0.26 0.34 0.00 0.00 0.00 179.25 180.37 3g4s s ASP 120 N -6.04 6.44 0.58 0.00 -1.08 -1.25 -4.55 116.67 110.77 3g4s s ASP 120 Ca 0.02 0.07 0.28 0.00 -0.52 0.00 0.00 52.55 52.39 3g4s s ASP 120 Cb 0.08 -2.36 1.64 0.00 -1.46 0.00 0.00 42.92 40.82 3g4s s ASP 120 CO 0.76 -0.74 2.13 0.00 0.52 0.00 0.00 175.17 177.84 3g4s h ALA 121 N 8.66 1.80 0.23 3.66 0.00 -1.86 -2.60 119.26 129.15 3g4s h ALA 121 Ca -0.25 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.32 3g4s h ALA 121 Cb 1.10 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.93 3g4s h ALA 121 CO 0.90 -0.22 -1.48 -0.44 0.00 0.00 0.00 179.25 178.01 3g4s h ASP 122 N 0.00 0.76 -0.38 0.00 3.32 -1.95 -3.28 116.42 114.88 3g4s h ASP 122 Ca 0.07 -0.84 -0.05 0.00 0.02 0.00 0.00 57.03 56.23 3g4s h ASP 122 Cb 0.36 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3g4s h ASP 122 CO -0.00 1.67 0.08 -0.07 -1.72 0.00 0.00 179.24 179.19 3g4s h LEU 123 N 0.13 0.66 -1.19 1.55 3.38 -1.80 -0.93 115.31 117.11 3g4s h LEU 123 Ca -0.25 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 3g4s h LEU 123 Cb 2.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 3g4s h LEU 123 CO 0.26 0.67 -0.38 0.58 0.09 0.00 0.00 178.44 179.66 3g4s h VAL 124 N 0.68 1.11 0.00 1.22 2.07 -1.66 0.11 116.25 119.78 3g4s h VAL 124 Ca 0.15 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3g4s h VAL 124 Cb 0.30 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3g4s h VAL 124 CO 0.00 0.37 -0.87 0.00 0.02 0.00 0.00 177.57 177.09 3g4s h ALA 125 N 1.62 0.52 0.00 1.67 0.00 -1.50 -3.06 119.26 118.51 3g4s h ALA 125 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 3g4s h ALA 125 Cb 0.74 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3g4s h ALA 125 CO 0.05 0.00 -1.21 -0.44 0.00 0.00 0.00 179.25 177.65 3g4s h ASP 126 N 0.00 0.00 0.32 0.00 5.19 -0.60 -3.27 116.42 118.06 3g4s h ASP 126 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 3g4s h ASP 126 Cb 0.91 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.41 3g4s h ASP 126 CO 0.00 0.96 -0.51 -0.09 -3.12 0.00 0.00 179.24 176.48 3g4s h ARG 127 N 0.00 0.22 0.00 3.56 2.43 -0.85 -3.48 114.38 116.26 3g4s h ARG 127 Ca -0.10 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3g4s h ARG 127 Cb 1.82 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.38 3g4s h ARG 127 CO 0.11 0.68 0.00 0.41 -1.51 0.00 0.00 179.97 179.66 3g4s n GLY 128 N 0.05 1.33 3.63 2.80 0.00 -1.22 -5.11 105.19 106.68 3g4s n GLY 128 Ca -0.02 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.49 3g4s n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g4s n HIS 129 N 0.00 1.82 -3.31 1.61 8.25 -1.16 -4.96 115.22 117.47 3g4s n HIS 129 Ca 0.00 0.50 -0.40 0.00 -0.26 0.00 0.00 57.72 57.56 3g4s n HIS 129 Cb 0.00 -2.42 -0.08 0.00 1.12 0.00 0.00 29.99 28.61 3g4s n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3g4s s GLU 130 N 1.34 3.75 0.21 -0.41 0.41 -1.26 -4.56 118.70 118.17 3g4s s GLU 130 Ca 0.86 -0.11 -0.23 0.00 -0.41 0.00 0.00 54.97 55.08 3g4s s GLU 130 Cb -0.90 -3.75 0.05 0.00 -1.78 0.00 0.00 34.13 27.74 3g4s s GLU 130 CO 0.49 -0.50 0.74 -0.59 -0.49 0.00 0.00 175.26 174.91 3g4s s PHE 131 N 2.23 -0.28 -0.39 1.61 -0.00 -1.26 -1.82 117.98 118.07 3g4s s PHE 131 Ca 0.17 -0.07 0.01 0.00 -0.00 0.00 0.00 56.93 57.04 3g4s s PHE 131 Cb -0.16 0.65 0.13 0.00 -0.00 0.00 0.00 43.02 43.64 3g4s s PHE 131 CO 0.12 -1.02 0.20 -0.51 -0.00 0.00 0.00 175.22 174.01 3g4s s ASP 132 N -2.85 3.56 -0.21 1.98 1.01 -1.24 -5.07 116.67 113.85 3g4s s ASP 132 Ca 0.08 -2.32 -0.27 0.00 0.71 0.00 0.00 52.55 50.75 3g4s s ASP 132 Cb -0.04 -0.85 0.09 0.00 1.01 0.00 0.00 42.92 43.13 3g4s s ASP 132 CO 0.00 -0.31 0.81 -0.60 0.21 0.00 0.00 175.17 175.28 3g4s s ARG 133 N 0.78 0.79 -0.18 8.23 3.52 -1.26 -4.76 118.95 126.06 3g4s s ARG 133 Ca 0.16 0.66 -0.13 0.00 -0.13 0.00 0.00 55.73 56.30 3g4s s ARG 133 Cb -0.23 0.38 -0.21 0.00 -1.56 0.00 0.00 34.95 33.33 3g4s s ARG 133 CO -0.05 -0.15 0.18 -0.25 -0.81 0.00 0.00 175.30 174.22 3g4s n ASP 134 N 2.00 1.99 -4.70 -2.12 8.00 -1.26 -4.88 116.55 115.59 3g4s n ASP 134 Ca -0.14 0.28 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 3g4s n ASP 134 Cb 0.56 -0.86 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 3g4s n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3g4s s GLU 135 N -2.47 4.48 -0.10 -1.24 2.02 -1.26 -4.72 118.70 115.41 3g4s s GLU 135 Ca -0.28 1.41 -0.07 0.00 0.02 0.00 0.00 54.97 56.06 3g4s s GLU 135 Cb 0.07 -3.50 0.04 0.00 0.10 0.00 0.00 34.13 30.83 3g4s s GLU 135 CO 0.65 -0.20 0.24 0.54 0.02 0.00 0.00 175.26 176.52 3g4s s VAL 136 N 1.57 -0.02 0.85 2.63 0.11 -1.26 -4.64 120.40 119.63 3g4s s VAL 136 Ca 0.50 0.08 -0.12 0.00 -2.93 0.00 0.00 61.98 59.51 3g4s s VAL 136 Cb -0.20 -0.36 0.10 0.00 -1.53 0.00 0.00 36.38 34.39 3g4s s VAL 136 CO 0.23 0.03 1.10 -2.16 -3.33 0.00 0.00 175.10 170.97 3g4s s PRO 137 N 0.72 1.67 0.03 1.54 0.04 -1.13 -4.34 135.00 133.52 3g4s s PRO 137 Ca -0.05 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 3g4s s PRO 137 Cb -0.06 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3g4s s PRO 137 CO -0.04 -1.91 1.00 0.08 0.04 0.00 0.00 177.00 176.17 3g4s s VAL 138 N -3.10 4.71 -0.28 -0.36 1.01 -1.13 -4.94 120.40 116.31 3g4s s VAL 138 Ca 0.62 2.00 -0.00 0.00 0.00 0.00 0.00 61.98 64.59 3g4s s VAL 138 Cb -0.16 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 31.99 3g4s s VAL 138 CO 0.55 0.18 -0.05 -0.69 0.00 0.00 0.00 175.10 175.10 3g4s s VAL 139 N 0.82 2.72 0.08 2.92 1.01 -1.26 -1.75 120.40 124.93 3g4s s VAL 139 Ca 0.52 -1.39 0.07 0.00 0.00 0.00 0.00 61.98 61.18 3g4s s VAL 139 Cb -0.22 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3g4s s VAL 139 CO 0.29 -0.02 -0.15 -0.69 0.00 0.00 0.00 175.10 174.52 3g4s s VAL 140 N 1.22 3.03 0.61 2.92 1.01 -0.38 -0.36 120.40 128.44 3g4s s VAL 140 Ca -0.05 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.47 3g4s s VAL 140 Cb -0.19 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3g4s s VAL 140 CO -0.03 0.21 1.19 -0.94 0.00 0.00 0.00 175.10 175.53 3g4s s SER 141 N -1.85 5.15 0.00 3.32 1.04 -0.10 -1.84 113.70 119.42 3g4s s SER 141 Ca 0.18 2.32 0.00 0.00 0.48 0.00 0.00 55.95 58.92 3g4s s SER 141 Cb -0.11 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.42 3g4s s SER 141 CO 0.09 -1.62 0.66 0.47 0.98 0.00 0.00 173.24 173.83 3g4s n ASP 142 N -1.75 0.00 -0.14 7.02 8.00 -1.26 -1.50 116.55 126.92 3g4s n ASP 142 Ca 0.13 0.22 0.08 0.00 0.71 0.00 0.00 54.79 55.93 3g4s n ASP 142 Cb 0.50 -0.22 0.44 0.00 -0.02 0.00 0.00 41.12 41.83 3g4s n ASP 142 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3g4s n ASP 143 N -1.16 0.42 0.07 -2.24 8.00 -1.26 -3.57 116.55 116.80 3g4s n ASP 143 Ca 0.00 -1.56 -0.20 0.00 0.71 0.00 0.00 54.79 53.74 3g4s n ASP 143 Cb 0.07 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 3g4s n ASP 143 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3g4s h PHE 144 N 0.54 0.96 0.00 1.24 3.57 -1.63 -3.28 116.94 118.34 3g4s h PHE 144 Ca 0.00 -0.56 0.00 0.00 3.53 0.00 0.00 57.97 60.94 3g4s h PHE 144 Cb 0.12 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3g4s h PHE 144 CO 0.03 1.40 0.00 0.39 -2.23 0.00 0.00 178.31 177.90 3g4s n GLU 145 N -3.81 0.15 0.15 1.11 1.02 -1.23 -2.29 120.64 115.74 3g4s n GLU 145 Ca -0.11 0.58 0.07 0.00 -0.02 0.00 0.00 57.16 57.68 3g4s n GLU 145 Cb 0.92 -1.92 0.06 0.00 -0.02 0.00 0.00 31.44 30.47 3g4s n GLU 145 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3g4s h ASP 146 N 0.00 0.00 -3.96 1.62 3.32 -1.81 -3.47 116.42 112.12 3g4s h ASP 146 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3g4s h ASP 146 Cb 0.09 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.75 3g4s h ASP 146 CO 0.00 0.24 0.74 -0.76 -1.72 0.00 0.00 179.24 177.74 3g4s s LEU 147 N -6.08 4.24 -0.06 1.55 1.43 -0.97 -4.96 118.68 113.84 3g4s s LEU 147 Ca 0.03 2.98 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 3g4s s LEU 147 Cb 0.07 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 3g4s s LEU 147 CO 0.74 -0.98 -0.06 0.52 0.23 0.00 0.00 176.35 176.80 3g4s n VAL 148 N 0.21 0.36 -2.86 -1.59 0.31 -1.26 -4.54 118.33 108.96 3g4s n VAL 148 Ca 0.03 -0.14 -0.40 0.00 -0.01 0.00 0.00 64.34 63.82 3g4s n VAL 148 Cb 0.40 -0.77 -0.05 0.00 -0.91 0.00 0.00 33.84 32.51 3g4s n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3g4s s LYS 149 N -2.13 4.64 0.15 5.55 -0.14 -1.26 -4.43 119.74 122.12 3g4s s LYS 149 Ca -0.09 1.29 -0.07 0.00 -1.36 0.00 0.00 55.97 55.74 3g4s s LYS 149 Cb 0.02 -3.33 -0.03 0.00 -1.68 0.00 0.00 37.83 32.81 3g4s s LYS 149 CO 0.14 0.36 1.39 1.15 -0.76 0.00 0.00 175.35 177.63 3g4s h THR 150 N 3.77 1.33 0.00 2.17 2.02 -1.94 -3.15 112.91 117.11 3g4s h THR 150 Ca -0.44 -2.02 -0.00 0.00 0.77 0.00 0.00 66.41 64.71 3g4s h THR 150 Cb 1.21 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 3g4s h THR 150 CO 0.70 0.63 -0.02 1.56 0.37 0.00 0.00 175.52 178.75 3g4s h GLN 151 N 0.42 0.00 0.03 6.66 4.20 -1.93 -0.99 115.11 123.50 3g4s h GLN 151 Ca -0.03 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.44 3g4s h GLN 151 Cb 1.32 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.08 3g4s h GLN 151 CO 0.14 0.02 -1.17 0.93 -0.67 0.00 0.00 178.83 178.07 3g4s h GLU 152 N 0.00 0.06 0.00 1.46 5.08 -1.96 -3.08 114.58 116.14 3g4s h GLU 152 Ca -0.00 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 3g4s h GLU 152 Cb 0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3g4s h GLU 152 CO 0.00 0.97 -0.52 0.28 -1.00 0.00 0.00 179.01 178.74 3g4s h VAL 153 N 0.02 1.33 -0.28 3.13 2.07 -1.21 -2.53 116.25 118.78 3g4s h VAL 153 Ca -0.08 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.60 3g4s h VAL 153 Cb 1.85 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.60 3g4s h VAL 153 CO 0.14 0.51 0.08 0.58 0.02 0.00 0.00 177.57 178.89 3g4s h VAL 154 N 0.00 1.21 0.00 2.57 2.07 -1.39 -1.45 116.25 119.26 3g4s h VAL 154 Ca -0.01 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3g4s h VAL 154 Cb 0.94 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3g4s h VAL 154 CO 0.07 0.23 -0.08 0.28 0.02 0.00 0.00 177.57 178.09 3g4s h SER 155 N 0.29 0.00 0.12 0.57 0.02 -1.38 0.28 113.55 113.45 3g4s h SER 155 Ca 0.09 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.76 3g4s h SER 155 Cb 0.27 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.84 3g4s h SER 155 CO -0.00 0.08 -1.18 0.25 -1.14 0.00 0.00 176.83 174.84 3g4s h LEU 156 N 0.00 0.83 -0.39 5.07 5.85 -1.09 -2.86 115.31 122.72 3g4s h LEU 156 Ca -0.00 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 57.88 3g4s h LEU 156 Cb 0.16 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3g4s h LEU 156 CO 0.01 1.58 0.00 -0.07 -0.34 0.00 0.00 178.44 179.62 3g4s h LEU 157 N 0.19 0.00 0.13 2.25 3.38 -0.34 -1.68 115.31 119.24 3g4s h LEU 157 Ca -0.18 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.51 3g4s h LEU 157 Cb 1.87 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.62 3g4s h LEU 157 CO 0.23 0.00 -1.25 -0.33 0.09 0.00 0.00 178.44 177.17 3g4s h GLU 158 N 0.00 0.30 -0.04 1.13 5.08 -0.53 -2.43 114.58 118.08 3g4s h GLU 158 Ca 0.00 -0.50 -0.16 0.00 -1.00 0.00 0.00 59.36 57.70 3g4s h GLU 158 Cb 0.83 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3g4s h GLU 158 CO 0.00 1.24 -0.68 0.00 -1.00 0.00 0.00 179.01 178.56 3g4s h ALA 159 N 0.55 0.77 -0.26 3.43 0.00 -1.35 -3.08 119.26 119.32 3g4s h ALA 159 Ca -0.14 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3g4s h ALA 159 Cb 1.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3g4s h ALA 159 CO 0.21 0.79 0.00 1.28 0.00 0.00 0.00 179.25 181.53 3g4s n LEU 160 N -3.80 1.41 0.00 0.00 4.77 -0.64 -4.91 117.00 113.83 3g4s n LEU 160 Ca -0.02 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3g4s n LEU 160 Cb 0.67 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3g4s n LEU 160 CO 0.45 0.35 0.00 0.47 -1.33 0.00 0.00 177.39 177.33 3g4s n ASP 161 N 0.26 -2.62 -2.17 -1.43 8.00 -1.17 -4.85 116.55 112.57 3g4s n ASP 161 Ca 0.09 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.33 3g4s n ASP 161 Cb 0.22 -2.82 0.12 0.00 -0.02 0.00 0.00 41.12 38.63 3g4s n ASP 161 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3g4s n VAL 162 N -1.87 3.21 0.09 2.53 3.14 -0.94 -3.64 118.33 120.85 3g4s n VAL 162 Ca 0.00 -2.15 0.09 0.00 -2.96 0.00 0.00 64.34 59.32 3g4s n VAL 162 Cb 0.22 -0.81 -0.14 0.00 -1.06 0.00 0.00 33.84 32.05 3g4s n VAL 162 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 3g4s n HIS 163 N -0.87 0.00 0.04 1.45 -0.00 -1.09 -4.30 115.22 110.45 3g4s n HIS 163 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.28 3g4s n HIS 163 Cb 1.17 -0.38 0.02 0.00 -0.00 0.00 0.00 29.99 30.81 3g4s n HIS 163 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3g4s n ALA 164 N -2.07 1.14 0.07 1.57 0.00 -1.26 -1.07 120.51 118.89 3g4s n ALA 164 Ca -0.03 -0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 3g4s n ALA 164 Cb 0.46 -1.02 -0.15 0.00 0.00 0.00 0.00 19.45 18.75 3g4s n ALA 164 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3g4s h ASP 165 N 0.00 0.57 1.16 0.00 3.58 -1.55 -3.03 116.42 117.16 3g4s h ASP 165 Ca 0.00 -0.85 0.00 0.00 0.42 0.00 0.00 57.03 56.60 3g4s h ASP 165 Cb 0.01 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.88 3g4s h ASP 165 CO 0.00 1.71 -0.05 -0.38 -2.88 0.00 0.00 179.24 177.64 3g4s n ILE 166 N -3.56 0.26 0.08 2.25 5.41 -0.23 -1.28 119.36 122.29 3g4s n ILE 166 Ca -0.23 -0.13 -0.01 0.00 1.00 0.00 0.00 62.75 63.39 3g4s n ILE 166 Cb 1.07 -0.48 -0.05 0.00 -0.71 0.00 0.00 39.64 39.47 3g4s n ILE 166 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3g4s h ASP 167 N 0.00 0.00 0.02 4.38 3.45 -1.53 -3.17 116.42 119.57 3g4s h ASP 167 Ca 0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 3g4s h ASP 167 Cb 0.61 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 3g4s h ASP 167 CO 0.00 0.64 -0.11 -0.09 -1.57 0.00 0.00 179.24 178.11 3g4s h ARG 168 N 0.00 0.04 -0.45 3.56 2.43 -1.33 -3.33 114.38 115.30 3g4s h ARG 168 Ca -0.08 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3g4s h ARG 168 Cb 1.56 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 3g4s h ARG 168 CO 0.07 1.01 0.00 0.00 -1.51 0.00 0.00 179.97 179.54 3g4s n ALA 169 N -2.60 2.40 0.02 2.80 0.00 -0.40 -3.55 120.51 119.18 3g4s n ALA 169 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 3g4s n ALA 169 Cb 0.51 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.82 3g4s n ALA 169 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3g4s h ASP 170 N 0.04 0.42 -3.38 0.00 1.82 -1.65 -3.37 116.42 110.30 3g4s h ASP 170 Ca 0.00 -0.88 -0.53 0.00 -0.39 0.00 0.00 57.03 55.23 3g4s h ASP 170 Cb 0.23 -0.14 0.07 0.00 0.68 0.00 0.00 39.33 40.17 3g4s h ASP 170 CO 0.00 1.56 0.81 -1.61 -1.61 0.00 0.00 179.24 178.38 3g4s s GLU 171 N -2.47 4.21 -0.04 0.28 2.02 -1.23 -5.02 118.70 116.45 3g4s s GLU 171 Ca -0.18 2.41 0.01 0.00 0.02 0.00 0.00 54.97 57.24 3g4s s GLU 171 Cb 0.03 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 3g4s s GLU 171 CO 0.79 -0.50 -0.05 0.95 0.02 0.00 0.00 175.26 176.47 3g4s s THR 172 N -0.05 3.82 -0.14 3.63 -4.23 -1.26 -4.46 115.64 112.96 3g4s s THR 172 Ca 0.60 -0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 60.50 3g4s s THR 172 Cb -0.44 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 3g4s s THR 172 CO 0.46 0.51 0.09 -0.75 -0.54 0.00 0.00 174.62 174.39 3g4s s LYS 173 N -1.09 3.58 -0.48 3.99 2.20 -0.21 -4.98 119.74 122.74 3g4s s LYS 173 Ca 0.15 -0.24 -0.15 0.00 -0.36 0.00 0.00 55.97 55.37 3g4s s LYS 173 Cb -0.11 -3.15 0.08 0.00 -1.51 0.00 0.00 37.83 33.14 3g4s s LYS 173 CO 0.04 0.59 0.40 0.42 -0.36 0.00 0.00 175.35 176.44 3g4s s ILE 174 N -0.50 5.13 0.18 5.43 1.01 -1.26 -1.85 121.20 129.33 3g4s s ILE 174 Ca 0.11 -1.16 -0.33 0.00 0.00 0.00 0.00 60.65 59.28 3g4s s ILE 174 Cb -0.12 -4.10 -0.15 0.00 0.01 0.00 0.00 42.46 38.10 3g4s s ILE 174 CO 0.02 -0.61 1.30 0.29 0.00 0.00 0.00 174.94 175.93 3g4s n LYS 175 N 5.18 1.50 -2.75 2.79 5.02 -0.58 -4.99 118.16 124.33 3g4s n LYS 175 Ca -0.12 0.54 -0.41 0.00 -2.02 0.00 0.00 58.31 56.29 3g4s n LYS 175 Cb 0.43 -2.12 -0.04 0.00 -0.02 0.00 0.00 35.03 33.28 3g4s n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g4s s ALA 176 N 0.04 3.24 0.00 7.82 0.00 -1.26 -4.74 121.76 126.86 3g4s s ALA 176 Ca 0.74 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3g4s s ALA 176 Cb -0.79 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.06 3g4s s ALA 176 CO 0.49 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.59 3g4s n GLY 177 N 2.43 -0.19 0.40 0.00 0.00 -1.26 -4.72 105.19 101.85 3g4s n GLY 177 Ca 0.03 -2.27 0.03 0.00 0.00 0.00 0.00 46.02 43.80 3g4s n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g4s n GLN 178 N -0.33 1.49 0.24 1.61 6.02 -1.26 -3.58 117.38 121.57 3g4s n GLN 178 Ca 0.00 -0.65 0.11 0.00 -0.01 0.00 0.00 57.00 56.44 3g4s n GLN 178 Cb 0.00 -1.22 0.62 0.00 1.02 0.00 0.00 30.24 30.66 3g4s n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3g4s h GLY 179 N 5.49 0.00 0.48 1.08 0.00 -1.84 -2.35 103.07 105.92 3g4s h GLY 179 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3g4s h GLY 179 CO 0.02 0.00 -0.13 0.23 0.00 0.00 0.00 176.54 176.66 3g4s h SER 180 N 0.00 -0.42 0.22 0.19 0.87 -1.60 -1.90 113.55 110.91 3g4s h SER 180 Ca -0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3g4s h SER 180 Cb 0.46 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 3g4s h SER 180 CO 0.02 -0.17 0.00 0.00 -0.53 0.00 0.00 176.83 176.15 3g4s n ALA 181 N -2.54 1.69 0.27 6.23 0.00 -0.88 -3.01 120.51 122.27 3g4s n ALA 181 Ca -0.03 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.40 3g4s n ALA 181 Cb 0.20 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.51 3g4s n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g4s n ARG 182 N -1.29 0.56 0.00 0.00 1.74 -0.74 -5.00 116.66 111.93 3g4s n ARG 182 Ca 0.05 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 3g4s n ARG 182 Cb 0.09 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3g4s n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4s n GLY 183 N 0.43 0.86 3.09 -0.13 0.00 -1.16 -5.02 105.19 103.25 3g4s n GLY 183 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3g4s n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4s n ARG 184 N 0.00 3.84 0.04 1.61 1.74 -1.05 -4.67 116.66 118.16 3g4s n ARG 184 Ca 0.00 -4.04 -0.22 0.00 -0.77 0.00 0.00 57.85 52.81 3g4s n ARG 184 Cb 0.00 -2.76 -0.14 0.00 -1.02 0.00 0.00 32.46 28.54 3g4s n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3g4s h LYS 185 N 6.03 0.33 -6.20 5.56 3.64 -1.77 -3.14 116.57 121.02 3g4s h LYS 185 Ca 0.29 -0.56 -0.49 0.00 -1.27 0.00 0.00 60.65 58.61 3g4s h LYS 185 Cb 0.70 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 3g4s h LYS 185 CO 1.38 1.27 -0.42 0.71 -2.27 0.00 0.00 179.45 180.12 3g4s s TYR 186 N -2.55 2.84 -0.16 1.91 1.51 -1.26 -1.53 117.35 118.11 3g4s s TYR 186 Ca -0.19 -0.37 -0.26 0.00 -1.01 0.00 0.00 57.07 55.25 3g4s s TYR 186 Cb 0.06 -1.93 0.07 0.00 -0.11 0.00 0.00 41.96 40.04 3g4s s TYR 186 CO 0.81 0.07 0.66 -0.98 -1.11 0.00 0.00 175.55 175.00 3g4s s ARG 187 N -4.05 0.89 0.02 -0.62 1.04 -0.77 -4.86 118.95 110.61 3g4s s ARG 187 Ca 0.44 0.61 0.01 0.00 -1.04 0.00 0.00 55.73 55.74 3g4s s ARG 187 Cb -0.05 0.43 -0.02 0.00 -2.04 0.00 0.00 34.95 33.27 3g4s s ARG 187 CO 0.27 -0.19 -0.04 -0.98 -0.04 0.00 0.00 175.30 174.32 3g4s s ARG 188 N -0.35 0.33 0.50 3.89 1.70 -1.26 -1.05 118.95 122.71 3g4s s ARG 188 Ca -0.05 -0.56 -0.23 0.00 -0.47 0.00 0.00 55.73 54.42 3g4s s ARG 188 Cb -0.03 -0.01 -0.06 0.00 -0.57 0.00 0.00 34.95 34.28 3g4s s ARG 188 CO 0.05 -0.02 1.39 -2.14 -1.08 0.00 0.00 175.30 173.50 3g4s s PRO 189 N -1.28 3.38 0.27 3.89 0.02 -1.26 -4.98 135.00 135.04 3g4s s PRO 189 Ca -0.12 2.32 -0.30 0.00 0.02 0.00 0.00 61.00 62.92 3g4s s PRO 189 Cb -0.09 -2.44 -0.09 0.00 0.02 0.00 0.00 34.50 31.90 3g4s s PRO 189 CO -0.01 -1.02 1.06 0.00 -0.33 0.00 0.00 177.00 176.70 3g4s s ALA 190 N -1.26 3.39 0.00 -1.55 0.00 -1.26 -4.41 121.76 116.67 3g4s s ALA 190 Ca 0.67 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3g4s s ALA 190 Cb -0.42 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3g4s s ALA 190 CO 0.52 -0.07 0.00 -1.13 0.00 0.00 0.00 175.76 175.08 3g4s n SER 191 N 1.30 0.00 -4.78 0.00 3.41 -1.12 -4.95 113.62 107.49 3g4s n SER 191 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 3g4s n SER 191 Cb 0.45 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 3g4s n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3g4s s ILE 192 N 3.39 4.28 -0.20 -1.33 1.01 -1.26 -4.43 121.20 122.66 3g4s s ILE 192 Ca 0.00 1.75 -0.04 0.00 0.00 0.00 0.00 60.65 62.36 3g4s s ILE 192 Cb 0.00 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 3g4s s ILE 192 CO 0.00 0.27 -0.03 -0.22 0.00 0.00 0.00 174.94 174.96 3g4s s LEU 193 N -1.76 3.10 -0.41 2.97 2.96 -1.19 -2.38 118.68 121.97 3g4s s LEU 193 Ca 0.45 -0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 53.97 3g4s s LEU 193 Cb -0.20 -1.78 0.04 0.00 0.50 0.00 0.00 46.19 44.75 3g4s s LEU 193 CO 0.25 0.06 0.27 -0.36 -1.32 0.00 0.00 176.35 175.25 3g4s s PHE 194 N 1.02 3.26 -0.31 5.38 0.40 -0.98 -1.04 117.98 125.72 3g4s s PHE 194 Ca 0.01 -0.94 -0.12 0.00 -0.60 0.00 0.00 56.93 55.27 3g4s s PHE 194 Cb -0.15 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 3g4s s PHE 194 CO 0.01 -0.69 0.23 0.08 0.70 0.00 0.00 175.22 175.55 3g4s s VAL 195 N 1.58 5.29 0.00 -0.44 1.01 -0.24 -0.48 120.40 127.11 3g4s s VAL 195 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3g4s s VAL 195 Cb -0.21 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3g4s s VAL 195 CO 0.07 0.12 0.00 0.35 0.00 0.00 0.00 175.10 175.64 3g4s n THR 196 N 5.09 0.00 0.00 3.92 -2.24 -0.31 -2.44 114.28 118.30 3g4s n THR 196 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3g4s n THR 196 Cb 0.51 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3g4s n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3g4s n SER 197 N -0.94 3.17 -0.11 3.42 2.88 -1.26 -2.79 113.62 117.99 3g4s n SER 197 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 3g4s n SER 197 Cb 0.00 0.12 -0.06 0.00 -0.75 0.00 0.00 64.21 63.52 3g4s n SER 197 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3g4s n ASP 198 N -2.03 1.93 -3.96 -3.46 8.00 -1.26 -4.80 116.55 110.98 3g4s n ASP 198 Ca 0.00 0.38 -0.14 0.00 0.71 0.00 0.00 54.79 55.74 3g4s n ASP 198 Cb 0.37 -0.80 -0.13 0.00 -0.02 0.00 0.00 41.12 40.53 3g4s n ASP 198 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3g4s s GLU 199 N -2.66 0.32 0.57 -1.24 2.02 -1.26 -5.11 118.70 111.34 3g4s s GLU 199 Ca -0.31 -0.28 -0.21 0.00 0.02 0.00 0.00 54.97 54.20 3g4s s GLU 199 Cb 0.08 -0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 3g4s s GLU 199 CO 0.44 0.06 1.32 -2.30 0.02 0.00 0.00 175.26 174.79 3g4s n PRO 200 N 2.60 1.52 -1.69 0.39 -0.02 -1.26 -4.81 135.00 131.73 3g4s n PRO 200 Ca -0.15 0.57 -0.37 0.00 -2.02 0.00 0.00 63.50 61.52 3g4s n PRO 200 Cb 0.58 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 3g4s n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3g4s s SER 201 N -1.03 4.73 0.57 2.55 0.15 -1.26 -4.78 113.70 114.63 3g4s s SER 201 Ca 0.74 0.95 0.36 0.00 0.70 0.00 0.00 55.95 58.70 3g4s s SER 201 Cb -0.41 -2.51 1.56 0.00 -1.71 0.00 0.00 66.02 62.95 3g4s s SER 201 CO 0.47 -2.68 2.06 0.74 1.20 0.00 0.00 173.24 175.03 3g4s h THR 202 N 7.45 0.01 0.00 6.45 2.02 -1.90 -2.55 112.91 124.39 3g4s h THR 202 Ca -0.26 -0.43 -0.18 0.00 0.77 0.00 0.00 66.41 66.31 3g4s h THR 202 Cb 1.24 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 69.04 3g4s h THR 202 CO 1.16 0.00 -1.05 0.00 0.37 0.00 0.00 175.52 176.00 3g4s h ALA 203 N 2.00 0.58 0.03 6.16 0.00 -1.80 -3.40 119.26 122.83 3g4s h ALA 203 Ca -0.00 -0.85 -0.38 0.00 0.00 0.00 0.00 54.91 53.68 3g4s h ALA 203 Cb 0.42 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3g4s h ALA 203 CO 0.00 1.05 -2.34 0.00 0.00 0.00 0.00 179.25 177.96 3g4s n ALA 204 N -2.36 1.31 0.16 0.00 0.00 -1.02 -3.89 120.51 114.72 3g4s n ALA 204 Ca -0.04 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.41 3g4s n ALA 204 Cb 0.88 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3g4s n ALA 204 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3g4s n ARG 205 N -3.28 0.01 0.00 0.00 1.85 -0.99 -0.42 116.66 113.83 3g4s n ARG 205 Ca -0.41 0.45 0.12 0.00 -1.00 0.00 0.00 57.85 57.01 3g4s n ARG 205 Cb 1.02 -2.16 0.16 0.00 -1.05 0.00 0.00 32.46 30.42 3g4s n ARG 205 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3g4s n ASN 206 N -1.67 1.41 -4.75 2.89 5.15 -1.26 -4.86 115.26 112.17 3g4s n ASN 206 Ca 0.00 -1.12 -0.41 0.00 -0.60 0.00 0.00 54.58 52.45 3g4s n ASN 206 Cb 0.71 0.37 -0.03 0.00 -0.53 0.00 0.00 39.78 40.30 3g4s n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g4s s LEU 207 N -2.57 4.46 -0.88 1.20 1.43 0.44 -4.86 118.68 117.90 3g4s s LEU 207 Ca 0.19 2.35 -0.34 0.00 -1.03 0.00 0.00 54.13 55.31 3g4s s LEU 207 Cb 0.18 -3.62 -0.21 0.00 0.03 0.00 0.00 46.19 42.58 3g4s s LEU 207 CO 0.59 -0.39 2.57 0.00 0.23 0.00 0.00 176.35 179.36 3g4s n ALA 208 N 2.00 0.30 -0.02 4.21 0.00 -1.26 -0.47 120.51 125.27 3g4s n ALA 208 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3g4s n ALA 208 Cb 0.44 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3g4s n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4s n GLY 209 N 6.69 2.70 3.67 0.00 0.00 -1.26 -4.60 105.19 112.39 3g4s n GLY 209 Ca 0.63 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.22 3g4s n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s s ALA 210 N -2.94 3.61 0.12 4.61 0.00 0.38 -2.78 121.76 124.77 3g4s s ALA 210 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.81 3g4s s ALA 210 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3g4s s ALA 210 CO 0.00 -1.11 0.27 -0.51 0.00 0.00 0.00 175.76 174.40 3g4s s ASP 211 N 2.35 6.35 0.03 0.00 1.01 -1.00 -4.73 116.67 120.69 3g4s s ASP 211 Ca 0.65 0.22 0.08 0.00 0.71 0.00 0.00 52.55 54.22 3g4s s ASP 211 Cb -0.31 -1.94 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 3g4s s ASP 211 CO 0.25 0.09 -0.23 0.68 0.21 0.00 0.00 175.17 176.17 3g4s s VAL 212 N -1.67 1.83 0.34 -1.27 -7.23 -1.26 -2.31 120.40 108.83 3g4s s VAL 212 Ca 0.35 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.34 3g4s s VAL 212 Cb -0.12 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 3g4s s VAL 212 CO 0.28 0.31 0.38 0.00 -0.31 0.00 0.00 175.10 175.76 3g4s s ALA 213 N -0.74 1.31 -0.01 1.32 0.00 0.36 -4.94 121.76 119.07 3g4s s ALA 213 Ca 0.09 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.26 3g4s s ALA 213 Cb -0.09 1.31 0.00 0.00 0.00 0.00 0.00 23.12 24.35 3g4s s ALA 213 CO 0.01 -0.73 -0.02 0.99 0.00 0.00 0.00 175.76 176.01 3g4s s THR 214 N -3.24 0.22 -0.65 0.00 2.01 -1.26 -1.16 115.64 111.56 3g4s s THR 214 Ca 0.36 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.30 3g4s s THR 214 Cb 0.01 -0.21 0.04 0.00 0.01 0.00 0.00 72.50 72.34 3g4s s THR 214 CO 0.24 0.08 1.02 0.00 -0.69 0.00 0.00 174.62 175.26 3g4s n ALA 215 N 3.20 0.81 0.11 7.40 0.00 -1.12 -0.75 120.51 130.16 3g4s n ALA 215 Ca -0.15 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.38 3g4s n ALA 215 Cb 0.57 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3g4s n ALA 215 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g4s h SER 216 N 0.00 0.00 0.00 0.00 4.64 -1.91 -3.40 113.55 112.88 3g4s h SER 216 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g4s h SER 216 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3g4s h SER 216 CO 0.00 0.33 -0.01 -1.84 -0.87 0.00 0.00 176.83 174.43 3g4s n GLU 217 N -2.96 0.46 -1.80 4.77 0.28 -0.63 -5.05 120.64 115.71 3g4s n GLU 217 Ca -0.02 -0.68 -0.43 0.00 -0.16 0.00 0.00 57.16 55.88 3g4s n GLU 217 Cb 0.69 -0.58 -0.03 0.00 1.43 0.00 0.00 31.44 32.95 3g4s n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3g4s s VAL 218 N -0.17 3.24 0.52 3.84 0.11 0.07 -4.90 120.40 123.12 3g4s s VAL 218 Ca 0.00 0.26 0.05 0.00 -2.93 0.00 0.00 61.98 59.36 3g4s s VAL 218 Cb 0.00 -3.27 0.05 0.00 -1.53 0.00 0.00 36.38 31.63 3g4s s VAL 218 CO 0.00 -0.14 0.72 0.54 -3.33 0.00 0.00 175.10 172.89 3g4s s ASN 219 N 6.34 5.28 0.41 3.54 2.20 -1.26 -4.95 114.94 126.50 3g4s s ASN 219 Ca 0.88 -0.38 0.18 0.00 -0.94 0.00 0.00 52.86 52.60 3g4s s ASN 219 Cb -0.31 -0.45 1.08 0.00 -2.00 0.00 0.00 41.25 39.57 3g4s s ASN 219 CO 0.35 -1.11 1.84 0.74 -2.94 0.00 0.00 177.10 175.97 3g4s h THR 220 N 0.25 0.65 -0.38 0.54 2.02 -1.92 0.42 112.91 114.49 3g4s h THR 220 Ca -0.38 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.56 3g4s h THR 220 Cb 1.28 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3g4s h THR 220 CO 0.46 0.08 -0.17 -0.33 0.37 0.00 0.00 175.52 175.92 3g4s h GLU 221 N 0.41 0.72 -0.06 6.66 5.08 -1.91 0.74 114.58 126.22 3g4s h GLU 221 Ca 0.49 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3g4s h GLU 221 Cb 1.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3g4s h GLU 221 CO -0.20 0.85 -0.22 -0.44 -1.00 0.00 0.00 179.01 178.00 3g4s h ASP 222 N 0.64 0.30 -0.33 1.42 3.45 -1.34 -2.17 116.42 118.39 3g4s h ASP 222 Ca 0.10 -0.63 -0.11 0.00 0.43 0.00 0.00 57.03 56.82 3g4s h ASP 222 Cb 0.65 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.31 3g4s h ASP 222 CO 0.05 0.88 -0.18 -0.07 -1.57 0.00 0.00 179.24 178.35 3g4s h LEU 223 N -0.26 0.80 -6.48 1.55 -0.00 -1.20 -3.38 115.31 106.35 3g4s h LEU 223 Ca -0.01 -0.27 -0.59 0.00 -0.00 0.00 0.00 57.88 57.01 3g4s h LEU 223 Cb 0.86 -0.22 -0.39 0.00 -0.00 0.00 0.00 40.66 40.92 3g4s h LEU 223 CO 0.05 0.97 -0.92 0.00 -0.00 0.00 0.00 178.44 178.54 3g4s s ALA 224 N -4.68 1.45 -0.18 1.53 0.00 0.26 -3.08 121.76 117.05 3g4s s ALA 224 Ca -0.09 -2.39 -0.29 0.00 0.00 0.00 0.00 51.96 49.18 3g4s s ALA 224 Cb 0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 3g4s s ALA 224 CO 0.83 -2.01 1.73 -1.25 0.00 0.00 0.00 175.76 175.06 3g4s s PRO 225 N 0.22 3.78 0.00 0.00 0.04 -0.82 -2.38 135.00 135.85 3g4s s PRO 225 Ca 0.28 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3g4s s PRO 225 Cb -0.04 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.42 3g4s s PRO 225 CO -0.14 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 175.99 3g4s n GLY 226 N 4.73 0.56 2.66 0.56 0.00 -1.26 -3.60 105.19 108.84 3g4s n GLY 226 Ca 0.20 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3g4s n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 227 N -2.72 1.56 3.58 -0.02 0.00 -1.00 -5.00 105.19 101.58 3g4s n GLY 227 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3g4s n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s s ALA 228 N -3.46 3.43 0.62 4.61 0.00 -1.24 -4.28 121.76 121.45 3g4s s ALA 228 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 3g4s s ALA 228 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3g4s s ALA 228 CO 0.00 -1.47 1.06 -2.14 0.00 0.00 0.00 175.76 173.21 3g4s s PRO 229 N 3.03 3.22 0.00 0.00 0.02 -1.26 -3.63 135.00 136.37 3g4s s PRO 229 Ca 0.30 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.48 3g4s s PRO 229 Cb -0.13 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3g4s s PRO 229 CO 0.17 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 3g4s n GLY 230 N -1.16 0.80 3.75 0.52 0.00 -1.26 -4.65 105.19 103.19 3g4s n GLY 230 Ca 0.09 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 3g4s n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g4s s ARG 231 N -2.20 4.39 -1.11 1.61 3.52 -1.18 -4.31 118.95 119.68 3g4s s ARG 231 Ca 0.00 0.85 -0.24 0.00 -0.13 0.00 0.00 55.73 56.21 3g4s s ARG 231 Cb 0.00 -3.37 -0.14 0.00 -1.56 0.00 0.00 34.95 29.89 3g4s s ARG 231 CO 0.00 0.30 1.97 -0.11 -0.81 0.00 0.00 175.30 176.64 3g4s n LEU 232 N 2.92 2.67 -4.89 -0.88 7.94 -1.26 -4.79 117.00 118.71 3g4s n LEU 232 Ca -0.05 -2.95 -0.29 0.00 -1.11 0.00 0.00 56.01 51.60 3g4s n LEU 232 Cb 0.51 -1.67 0.02 0.00 0.53 0.00 0.00 43.42 42.81 3g4s n LEU 232 CO 0.45 -2.19 0.63 -0.89 -1.11 0.00 0.00 177.39 174.29 3g4s s THR 233 N 12.11 4.37 -0.15 1.96 2.01 -1.26 -3.18 115.64 131.50 3g4s s THR 233 Ca 0.71 0.51 -0.04 0.00 0.31 0.00 0.00 61.69 63.18 3g4s s THR 233 Cb -0.00 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.83 3g4s s THR 233 CO 0.15 -0.88 0.06 0.54 -0.69 0.00 0.00 174.62 173.81 3g4s s VAL 234 N -3.08 0.14 0.41 3.82 0.11 -0.20 -2.84 120.40 118.75 3g4s s VAL 234 Ca 0.54 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 59.45 3g4s s VAL 234 Cb -0.11 -0.64 -0.00 0.00 -1.53 0.00 0.00 36.38 34.10 3g4s s VAL 234 CO 0.50 -0.13 0.60 -0.36 -3.33 0.00 0.00 175.10 172.37 3g4s s PHE 235 N 2.04 3.17 -0.00 1.54 0.40 -0.72 -1.08 117.98 123.33 3g4s s PHE 235 Ca 0.02 0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.40 3g4s s PHE 235 Cb -0.15 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 3g4s s PHE 235 CO -0.07 -0.24 0.09 -0.08 0.70 0.00 0.00 175.22 175.62 3g4s s THR 236 N -2.42 4.79 0.35 0.64 -1.32 -1.02 -1.25 115.64 115.42 3g4s s THR 236 Ca 0.47 -0.39 0.15 0.00 -1.21 0.00 0.00 61.69 60.71 3g4s s THR 236 Cb -0.10 -3.20 0.35 0.00 -1.51 0.00 0.00 72.50 68.04 3g4s s THR 236 CO 0.35 0.34 1.72 -0.08 -2.21 0.00 0.00 174.62 174.75 3g4s h GLU 237 N 4.05 0.43 0.00 7.08 4.81 -1.65 0.29 114.58 129.58 3g4s h GLU 237 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3g4s h GLU 237 Cb 1.18 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3g4s h GLU 237 CO 0.63 0.28 -0.03 0.77 -0.73 0.00 0.00 179.01 179.93 3g4s h SER 238 N 0.44 0.00 0.03 1.04 0.02 -1.95 -3.13 113.55 110.00 3g4s h SER 238 Ca 0.66 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.55 3g4s h SER 238 Cb 1.50 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.05 3g4s h SER 238 CO -0.45 0.00 -0.27 0.00 -1.14 0.00 0.00 176.83 174.97 3g4s h ALA 239 N 2.11 -0.00 -0.25 3.77 0.00 -0.78 -1.76 119.26 122.36 3g4s h ALA 239 Ca 0.00 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.47 3g4s h ALA 239 Cb 0.94 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3g4s h ALA 239 CO 0.00 0.11 0.21 1.25 0.00 0.00 0.00 179.25 180.82 3g4s h LEU 240 N -0.63 0.00 0.10 0.00 6.46 -1.14 0.38 115.31 120.48 3g4s h LEU 240 Ca -0.04 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.46 3g4s h LEU 240 Cb 1.11 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.04 3g4s h LEU 240 CO 0.05 0.00 -1.31 0.00 -0.62 0.00 0.00 178.44 176.56 3g4s h ALA 241 N 1.81 0.16 0.00 1.25 0.00 -1.60 -3.36 119.26 117.53 3g4s h ALA 241 Ca 0.12 -1.05 -0.09 0.00 0.00 0.00 0.00 54.91 53.89 3g4s h ALA 241 Cb 0.53 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3g4s h ALA 241 CO -0.00 0.76 -0.41 1.49 0.00 0.00 0.00 179.25 181.09 3g4s h GLU 242 N -0.39 0.00 0.00 0.00 4.81 -0.31 -2.82 114.58 115.87 3g4s h GLU 242 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3g4s h GLU 242 Cb 1.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.07 3g4s h GLU 242 CO 0.04 0.41 0.00 -0.24 -0.73 0.00 0.00 179.01 178.49 3g4s h VAL 243 N 0.00 0.00 -0.58 0.32 3.04 -0.46 -3.18 116.25 115.40 3g4s h VAL 243 Ca -0.00 -0.32 -0.09 0.00 -1.01 0.00 0.00 66.70 65.27 3g4s h VAL 243 Cb 0.81 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 31.21 3g4s h VAL 243 CO 0.05 0.00 0.01 0.00 -1.01 0.00 0.00 177.57 176.62 3g4s h ALA 244 N 2.26 0.93 -1.11 3.17 0.00 -1.64 -3.24 119.26 119.62 3g4s h ALA 244 Ca 0.00 -0.30 -0.78 0.00 0.00 0.00 0.00 54.91 53.84 3g4s h ALA 244 Cb 0.45 -0.22 -0.20 0.00 0.00 0.00 0.00 17.79 17.82 3g4s h ALA 244 CO 0.00 0.64 1.64 0.39 0.00 0.00 0.00 179.25 181.92 3g4s n GLU 245 N -4.19 4.63 0.00 0.00 1.02 -1.20 -4.85 120.64 116.05 3g4s n GLU 245 Ca 0.03 -4.03 0.00 0.00 -0.02 0.00 0.00 57.16 53.14 3g4s n GLU 245 Cb 0.33 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 3g4s n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85