#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s ARG 8 N 0.00 1.81 -0.19 5.31 1.70 -1.13 -5.04 118.95 121.41 3g4s s ARG 8 Ca 0.00 -1.28 -0.03 0.00 -0.47 0.00 0.00 55.73 53.95 3g4s s ARG 8 Cb 0.00 0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 34.90 3g4s s ARG 8 CO 0.00 -0.80 -0.05 0.08 -1.08 0.00 0.00 175.30 173.45 3g4s s VAL 9 N -3.52 3.51 0.02 4.99 1.01 -1.26 -2.23 120.40 122.93 3g4s s VAL 9 Ca 0.19 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.77 3g4s s VAL 9 Cb -0.03 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3g4s s VAL 9 CO 0.10 0.46 -0.21 -0.69 0.00 0.00 0.00 175.10 174.77 3g4s s VAL 10 N 0.94 1.65 -0.32 2.92 1.01 -0.11 -4.98 120.40 121.50 3g4s s VAL 10 Ca -0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 3g4s s VAL 10 Cb -0.15 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3g4s s VAL 10 CO 0.01 0.31 0.42 -0.89 0.00 0.00 0.00 175.10 174.95 3g4s s THR 11 N -0.67 5.11 -0.36 3.92 2.01 -1.26 -1.07 115.64 123.32 3g4s s THR 11 Ca 0.08 0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.26 3g4s s THR 11 Cb -0.08 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 3g4s s THR 11 CO 0.01 -0.06 0.36 -0.63 -0.69 0.00 0.00 174.62 173.61 3g4s s ILE 12 N 2.18 5.17 0.02 1.82 -1.09 -0.17 -4.94 121.20 124.19 3g4s s ILE 12 Ca 0.15 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.20 3g4s s ILE 12 Cb -0.16 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 3g4s s ILE 12 CO 0.12 -0.15 0.97 -2.16 -1.23 0.00 0.00 174.94 172.48 3g4s s PRO 13 N 2.00 4.58 -0.34 2.79 0.04 -1.26 -2.15 135.00 140.65 3g4s s PRO 13 Ca 0.11 1.41 0.07 0.00 0.04 0.00 0.00 61.00 62.63 3g4s s PRO 13 Cb -0.17 -3.44 0.51 0.00 0.04 0.00 0.00 34.50 31.44 3g4s s PRO 13 CO 0.12 0.01 1.52 1.28 0.04 0.00 0.00 177.00 179.97 3g4s n LEU 14 N 3.65 4.76 0.00 -3.56 4.77 -0.80 -4.70 117.00 121.12 3g4s n LEU 14 Ca 0.05 -3.93 0.13 0.00 -0.03 0.00 0.00 56.01 52.22 3g4s n LEU 14 Cb 0.51 -0.65 0.75 0.00 -2.33 0.00 0.00 43.42 41.69 3g4s n LEU 14 CO 0.52 1.37 0.95 -2.11 -1.33 0.00 0.00 177.39 176.79 3g4s n ARG 15 N -1.07 0.90 -0.01 3.23 1.85 -1.26 -2.72 116.66 117.58 3g4s n ARG 15 Ca 0.40 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 57.37 3g4s n ARG 15 Cb 1.06 -1.44 0.14 0.00 -1.05 0.00 0.00 32.46 31.18 3g4s n ARG 15 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3g4s n ASP 16 N -0.94 2.90 -0.08 2.89 9.92 -1.26 -4.01 116.55 125.98 3g4s n ASP 16 Ca 0.19 -1.96 0.13 0.00 -0.53 0.00 0.00 54.79 52.63 3g4s n ASP 16 Cb 0.09 -0.02 0.49 0.00 -0.64 0.00 0.00 41.12 41.04 3g4s n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g4s n ALA 17 N 1.26 2.92 1.50 2.24 0.00 -1.10 -3.49 120.51 123.84 3g4s n ALA 17 Ca 0.15 -0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.47 3g4s n ALA 17 Cb 0.58 -1.28 0.72 0.00 0.00 0.00 0.00 19.45 19.46 3g4s n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g4s n ARG 18 N -1.18 0.65 0.05 0.00 1.74 -1.26 -3.32 116.66 113.35 3g4s n ARG 18 Ca 0.10 -0.12 -0.21 0.00 -0.77 0.00 0.00 57.85 56.84 3g4s n ARG 18 Cb 0.31 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.11 3g4s n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g4s h ALA 19 N 3.61 0.27 -2.53 7.54 0.00 -1.85 -3.46 119.26 122.85 3g4s h ALA 19 Ca 0.00 -1.23 -0.53 0.00 0.00 0.00 0.00 54.91 53.16 3g4s h ALA 19 Cb 0.28 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3g4s h ALA 19 CO 0.00 1.14 0.42 -2.00 0.00 0.00 0.00 179.25 178.81 3g4s s GLU 20 N -2.58 4.60 0.05 0.00 2.56 -1.21 -4.96 118.70 117.17 3g4s s GLU 20 Ca -0.17 1.55 -0.35 0.00 0.00 0.00 0.00 54.97 55.99 3g4s s GLU 20 Cb 0.06 -3.37 -0.18 0.00 2.00 0.00 0.00 34.13 32.63 3g4s s GLU 20 CO 0.83 0.05 0.89 -0.35 -0.56 0.00 0.00 175.26 176.12 3g4s n PRO 21 N 3.15 0.00 -0.29 4.30 -0.04 -1.26 -4.60 135.00 136.26 3g4s n PRO 21 Ca 0.04 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 3g4s n PRO 21 Cb 0.49 -1.32 0.10 0.00 -0.04 0.00 0.00 33.50 32.73 3g4s n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3g4s n ASN 22 N 1.56 -0.32 0.00 3.54 3.02 -1.26 -1.20 115.26 120.60 3g4s n ASN 22 Ca 0.19 1.37 0.05 0.00 -0.03 0.00 0.00 54.58 56.17 3g4s n ASN 22 Cb 0.12 -0.40 0.32 0.00 -0.61 0.00 0.00 39.78 39.21 3g4s n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g4s n HIS 23 N -5.28 0.00 -0.29 3.10 1.44 -1.26 -1.76 115.22 111.17 3g4s n HIS 23 Ca 0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.83 3g4s n HIS 23 Cb 0.39 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.50 3g4s n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3g4s n LYS 24 N -0.86 -0.06 -0.50 -1.40 5.02 -0.34 -4.76 118.16 115.25 3g4s n LYS 24 Ca 0.08 -0.30 0.41 0.00 -2.02 0.00 0.00 58.31 56.48 3g4s n LYS 24 Cb 0.04 -0.78 0.70 0.00 -0.02 0.00 0.00 35.03 34.97 3g4s n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g4s h ARG 25 N 0.00 0.05 -0.07 1.97 3.08 -1.21 0.38 114.38 118.57 3g4s h ARG 25 Ca 0.00 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 3g4s h ARG 25 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3g4s h ARG 25 CO 0.00 0.03 -0.70 0.00 -1.07 0.00 0.00 179.97 178.23 3g4s h ALA 26 N 1.46 0.66 -0.25 0.04 0.00 -1.36 -2.57 119.26 117.24 3g4s h ALA 26 Ca 0.84 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3g4s h ALA 26 Cb 2.87 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.59 3g4s h ALA 26 CO -0.31 0.76 -0.04 -0.44 0.00 0.00 0.00 179.25 179.22 3g4s h ASP 27 N 0.24 0.46 0.31 0.00 3.45 -1.20 -2.82 116.42 116.86 3g4s h ASP 27 Ca -0.02 -0.35 -0.11 0.00 0.43 0.00 0.00 57.03 56.98 3g4s h ASP 27 Cb 1.26 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.89 3g4s h ASP 27 CO 0.12 0.70 -0.44 0.50 -1.57 0.00 0.00 179.24 178.54 3g4s h LYS 28 N 0.21 0.18 -0.87 3.56 1.63 -1.58 -2.60 116.57 117.10 3g4s h LYS 28 Ca 0.06 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3g4s h LYS 28 Cb 0.49 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 3g4s h LYS 28 CO 0.02 0.59 0.56 0.00 -3.45 0.00 0.00 179.45 177.17 3g4s h ALA 29 N 1.40 1.10 0.00 5.00 0.00 -1.36 1.00 119.26 126.41 3g4s h ALA 29 Ca 0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3g4s h ALA 29 Cb 0.85 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3g4s h ALA 29 CO 0.07 0.53 -0.39 1.98 0.00 0.00 0.00 179.25 181.43 3g4s h MET 30 N 1.18 0.00 0.13 0.00 1.85 -1.22 -1.71 114.93 115.17 3g4s h MET 30 Ca 0.32 0.00 -0.28 0.00 -0.61 0.00 0.00 59.70 59.12 3g4s h MET 30 Cb -0.11 0.00 0.02 0.00 0.43 0.00 0.00 31.60 31.94 3g4s h MET 30 CO -0.07 0.39 -1.23 0.82 -0.40 0.00 0.00 176.91 176.42 3g4s h ILE 31 N 0.00 1.39 -0.69 1.77 2.04 -1.00 -3.17 117.51 117.85 3g4s h ILE 31 Ca -0.00 -2.75 -0.03 0.00 1.00 0.00 0.00 64.86 63.07 3g4s h ILE 31 Cb 0.84 2.81 -0.03 0.00 -0.74 0.00 0.00 36.82 39.71 3g4s h ILE 31 CO 0.05 0.82 0.30 -0.07 0.00 0.00 0.00 178.15 179.25 3g4s h LEU 32 N 0.16 0.94 0.25 1.44 3.38 -0.35 -1.86 115.31 119.26 3g4s h LEU 32 Ca -0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3g4s h LEU 32 Cb 1.93 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.44 3g4s h LEU 32 CO 0.22 0.83 -0.12 0.40 0.09 0.00 0.00 178.44 179.86 3g4s h ILE 33 N 0.98 0.77 -0.74 1.22 2.04 -1.41 0.38 117.51 120.75 3g4s h ILE 33 Ca 0.23 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 66.07 3g4s h ILE 33 Cb 0.17 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3g4s h ILE 33 CO -0.02 0.02 0.48 -0.09 0.00 0.00 0.00 178.15 178.54 3g4s h ARG 34 N -0.38 0.76 -0.08 2.37 2.43 -1.50 -1.12 114.38 116.87 3g4s h ARG 34 Ca -0.03 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 58.87 3g4s h ARG 34 Cb 0.29 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3g4s h ARG 34 CO 0.06 0.50 -0.84 0.93 -1.51 0.00 0.00 179.97 179.11 3g4s h GLU 35 N 0.78 0.60 -0.37 0.20 5.08 -0.96 -2.74 114.58 117.18 3g4s h GLU 35 Ca 0.31 -0.54 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 3g4s h GLU 35 Cb 0.23 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3g4s h GLU 35 CO -0.10 1.16 -0.29 1.25 -1.00 0.00 0.00 179.01 180.03 3g4s h HIS 36 N 0.39 0.90 -0.08 4.33 2.76 -0.10 -2.50 115.15 120.85 3g4s h HIS 36 Ca -0.06 -0.23 -0.21 0.00 -2.20 0.00 0.00 60.37 57.67 3g4s h HIS 36 Cb 1.45 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.21 3g4s h HIS 36 CO 0.07 0.97 -0.79 -0.07 -1.30 0.00 0.00 177.93 176.81 3g4s h LEU 37 N 0.67 0.63 -1.08 0.26 3.38 -1.28 -2.62 115.31 115.26 3g4s h LEU 37 Ca 0.08 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 3g4s h LEU 37 Cb 0.82 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3g4s h LEU 37 CO 0.07 1.20 -0.34 0.00 0.09 0.00 0.00 178.44 179.46 3g4s h ALA 38 N 0.78 1.06 0.00 1.53 0.00 -1.44 -0.47 119.26 120.72 3g4s h ALA 38 Ca -0.05 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 3g4s h ALA 38 Cb 1.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3g4s h ALA 38 CO 0.14 0.42 -1.18 -0.22 0.00 0.00 0.00 179.25 178.41 3g4s h LYS 39 N 0.00 0.00 0.05 0.00 3.64 -1.41 -2.11 116.57 116.74 3g4s h LYS 39 Ca -0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.04 3g4s h LYS 39 Cb 0.81 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 3g4s h LYS 39 CO 0.04 0.79 -1.93 0.72 -2.27 0.00 0.00 179.45 176.80 3g4s n HIS 40 N -3.24 0.94 -0.39 1.91 8.25 -0.99 -4.16 115.22 117.53 3g4s n HIS 40 Ca -0.05 0.27 0.08 0.00 -0.26 0.00 0.00 57.72 57.76 3g4s n HIS 40 Cb 0.95 -1.15 0.33 0.00 1.12 0.00 0.00 29.99 31.24 3g4s n HIS 40 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3g4s n PHE 41 N -3.20 1.37 -3.87 4.41 3.01 -0.20 -4.98 117.46 113.99 3g4s n PHE 41 Ca -0.26 -0.54 -0.32 0.00 1.01 0.00 0.00 57.45 57.34 3g4s n PHE 41 Cb 1.06 -0.23 0.01 0.00 -0.01 0.00 0.00 39.48 40.30 3g4s n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3g4s n SER 42 N 1.00 -3.11 -1.21 4.37 7.64 -1.19 -5.01 113.62 116.11 3g4s n SER 42 Ca 0.23 -1.08 -0.00 0.00 1.01 0.00 0.00 58.87 59.04 3g4s n SER 42 Cb 0.82 -2.88 -0.00 0.00 -1.01 0.00 0.00 64.21 61.14 3g4s n SER 42 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3g4s n VAL 43 N -4.43 0.00 -3.93 0.44 0.24 -0.80 -5.06 118.33 104.79 3g4s n VAL 43 Ca -0.18 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.34 61.80 3g4s n VAL 43 Cb 0.62 0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 3g4s n VAL 43 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3g4s s ASP 44 N -1.02 6.35 0.61 -1.34 2.15 -1.26 -4.66 116.67 117.50 3g4s s ASP 44 Ca 0.00 0.24 0.32 0.00 0.43 0.00 0.00 52.55 53.54 3g4s s ASP 44 Cb 0.00 -1.94 1.86 0.00 -0.30 0.00 0.00 42.92 42.53 3g4s s ASP 44 CO 0.00 0.13 2.19 -0.33 -0.17 0.00 0.00 175.17 177.00 3g4s h GLU 45 N 2.77 0.00 0.00 4.34 5.08 -1.93 -0.92 114.58 123.93 3g4s h GLU 45 Ca -0.46 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.76 3g4s h GLU 45 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3g4s h GLU 45 CO 0.74 0.00 -0.72 -0.44 -1.00 0.00 0.00 179.01 177.58 3g4s h ASP 46 N 0.00 0.00 1.18 1.42 3.32 -1.96 -3.31 116.42 117.07 3g4s h ASP 46 Ca 0.03 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3g4s h ASP 46 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3g4s h ASP 46 CO -0.00 0.65 -0.59 0.00 -1.72 0.00 0.00 179.24 177.58 3g4s h ALA 47 N 1.35 0.70 -1.87 3.45 0.00 -1.49 -3.45 119.26 117.94 3g4s h ALA 47 Ca -0.02 -0.53 -0.57 0.00 0.00 0.00 0.00 54.91 53.79 3g4s h ALA 47 Cb 1.52 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 3g4s h ALA 47 CO 0.08 0.73 0.98 0.08 0.00 0.00 0.00 179.25 181.12 3g4s s VAL 48 N -3.10 4.12 -0.26 0.00 1.01 -1.18 -2.79 120.40 118.21 3g4s s VAL 48 Ca 0.02 1.22 -0.10 0.00 0.00 0.00 0.00 61.98 63.13 3g4s s VAL 48 Cb 0.09 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 3g4s s VAL 48 CO 0.75 -0.64 0.15 -0.60 0.00 0.00 0.00 175.10 174.76 3g4s s ARG 49 N 4.37 3.94 -0.15 2.72 3.52 0.83 -4.98 118.95 129.20 3g4s s ARG 49 Ca 0.55 -0.33 -0.10 0.00 -0.13 0.00 0.00 55.73 55.72 3g4s s ARG 49 Cb -0.14 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 3g4s s ARG 49 CO 0.26 -0.07 0.18 -0.51 -0.81 0.00 0.00 175.30 174.35 3g4s s LEU 50 N 1.41 4.30 0.21 -0.88 1.43 -1.26 -1.01 118.68 122.88 3g4s s LEU 50 Ca 0.07 0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 53.29 3g4s s LEU 50 Cb -0.15 -2.16 -0.09 0.00 0.03 0.00 0.00 46.19 43.83 3g4s s LEU 50 CO 0.07 0.26 0.88 -0.62 0.23 0.00 0.00 176.35 177.18 3g4s s ASP 51 N -0.24 7.55 0.27 2.29 -1.08 -0.16 -4.93 116.67 120.38 3g4s s ASP 51 Ca 0.13 1.84 0.05 0.00 -0.52 0.00 0.00 52.55 54.04 3g4s s ASP 51 Cb -0.12 -2.57 0.27 0.00 -1.46 0.00 0.00 42.92 39.04 3g4s s ASP 51 CO 0.02 0.17 0.94 -2.65 0.52 0.00 0.00 175.17 174.17 3g4s n PRO 52 N 1.58 0.04 -0.23 4.34 -0.02 -1.26 -1.49 135.00 137.96 3g4s n PRO 52 Ca -0.03 0.45 -0.08 0.00 -2.02 0.00 0.00 63.50 61.82 3g4s n PRO 52 Cb 0.48 -2.14 0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3g4s n PRO 52 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3g4s h SER 53 N 0.00 0.95 -0.04 2.55 4.64 -1.93 -0.92 113.55 118.80 3g4s h SER 53 Ca 0.00 -0.22 -0.11 0.00 -0.47 0.00 0.00 61.79 60.99 3g4s h SER 53 Cb 1.02 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3g4s h SER 53 CO 0.00 0.92 -0.30 0.40 -0.87 0.00 0.00 176.83 176.98 3g4s h ILE 54 N 0.93 1.28 -0.18 0.95 2.04 -1.62 0.68 117.51 121.60 3g4s h ILE 54 Ca 0.20 -1.37 -0.14 0.00 1.00 0.00 0.00 64.86 64.55 3g4s h ILE 54 Cb 0.33 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3g4s h ILE 54 CO -0.00 0.43 -0.48 -1.13 0.00 0.00 0.00 178.15 176.97 3g4s h ASN 55 N 0.43 0.51 1.16 1.72 -1.24 -1.57 -1.80 115.58 114.78 3g4s h ASN 55 Ca 0.05 -0.25 -0.15 0.00 0.71 0.00 0.00 56.30 56.67 3g4s h ASN 55 Cb 0.74 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 3g4s h ASN 55 CO 0.06 0.91 -0.88 -0.33 -1.29 0.00 0.00 177.43 175.90 3g4s h GLU 56 N 0.37 0.00 -0.16 6.67 5.08 -0.81 -2.59 114.58 123.15 3g4s h GLU 56 Ca 0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 3g4s h GLU 56 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 3g4s h GLU 56 CO 0.09 0.55 -0.64 0.00 -1.00 0.00 0.00 179.01 178.01 3g4s h ALA 57 N 1.35 0.58 0.00 3.43 0.00 -0.74 -2.59 119.26 121.30 3g4s h ALA 57 Ca -0.06 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.13 3g4s h ALA 57 Cb 1.54 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 3g4s h ALA 57 CO 0.07 0.71 -0.95 0.00 0.00 0.00 0.00 179.25 179.08 3g4s h ALA 58 N 0.87 0.59 -0.61 0.00 0.00 -1.38 -3.29 119.26 115.43 3g4s h ALA 58 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3g4s h ALA 58 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3g4s h ALA 58 CO 0.12 0.95 0.00 0.91 0.00 0.00 0.00 179.25 181.23 3g4s n TRP 59 N -3.17 1.33 0.22 0.00 7.02 -0.98 -4.57 117.44 117.29 3g4s n TRP 59 Ca -0.03 -0.54 -0.15 0.00 -1.02 0.00 0.00 57.50 55.76 3g4s n TRP 59 Cb 0.84 -0.20 -0.07 0.00 -2.42 0.00 0.00 31.31 29.45 3g4s n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3g4s h ALA 60 N 4.07 -0.72 -0.95 6.99 0.00 -1.53 -3.20 119.26 123.91 3g4s h ALA 60 Ca 0.00 -0.11 -0.74 0.00 0.00 0.00 0.00 54.91 54.06 3g4s h ALA 60 Cb 1.31 0.49 -0.26 0.00 0.00 0.00 0.00 17.79 19.32 3g4s h ALA 60 CO 0.19 -0.94 0.99 0.54 0.00 0.00 0.00 179.25 180.03 3g4s n ARG 61 N -5.45 2.71 0.00 0.00 1.74 -1.26 -5.01 116.66 109.38 3g4s n ARG 61 Ca -0.10 -3.39 0.00 0.00 -0.77 0.00 0.00 57.85 53.60 3g4s n ARG 61 Cb 0.35 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.54 3g4s n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4s n GLY 62 N -0.42 -0.92 0.02 -0.13 0.00 -1.21 -3.48 105.19 99.05 3g4s n GLY 62 Ca 0.54 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 45.06 3g4s n GLY 62 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3g4s n ARG 63 N 0.00 0.72 -0.04 1.61 0.63 -1.26 -4.50 116.66 113.81 3g4s n ARG 63 Ca 0.00 -0.11 -0.04 0.00 -0.92 0.00 0.00 57.85 56.78 3g4s n ARG 63 Cb 0.00 -1.36 -0.14 0.00 0.45 0.00 0.00 32.46 31.41 3g4s n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3g4s n ALA 64 N -2.13 1.83 -1.34 5.13 0.00 -1.26 -1.03 120.51 121.71 3g4s n ALA 64 Ca -0.07 -0.93 -0.34 0.00 0.00 0.00 0.00 53.44 52.10 3g4s n ALA 64 Cb 0.52 -0.55 0.09 0.00 0.00 0.00 0.00 19.45 19.50 3g4s n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3g4s n ASN 65 N -2.73 7.32 -4.74 0.00 3.02 -1.23 -4.85 115.26 112.05 3g4s n ASN 65 Ca -0.20 -3.77 -0.42 0.00 -0.03 0.00 0.00 54.58 50.15 3g4s n ASN 65 Cb 0.97 -0.95 -0.01 0.00 -0.61 0.00 0.00 39.78 39.17 3g4s n ASN 65 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3g4s n THR 66 N -0.93 1.74 -1.50 3.41 5.66 -1.26 -4.70 114.28 116.69 3g4s n THR 66 Ca 0.62 -0.43 -0.37 0.00 -3.05 0.00 0.00 64.05 60.82 3g4s n THR 66 Cb 0.75 -1.82 0.06 0.00 -1.55 0.00 0.00 70.33 67.77 3g4s n THR 66 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3g4s n PRO 67 N 0.91 0.67 0.19 1.09 -0.04 -1.26 -4.96 135.00 131.60 3g4s n PRO 67 Ca 0.04 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.85 3g4s n PRO 67 Cb 0.37 -2.09 0.26 0.00 -0.04 0.00 0.00 33.50 32.01 3g4s n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3g4s h SER 68 N 0.15 0.00 -5.53 3.54 4.64 -1.92 -3.43 113.55 110.99 3g4s h SER 68 Ca -0.48 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.60 3g4s h SER 68 Cb 1.36 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.34 3g4s h SER 68 CO 0.48 0.31 -0.32 -0.54 -0.87 0.00 0.00 176.83 175.89 3g4s s LYS 69 N -3.35 1.63 -0.29 4.77 1.02 -1.26 -1.91 119.74 120.35 3g4s s LYS 69 Ca 0.02 -1.64 -0.14 0.00 0.02 0.00 0.00 55.97 54.23 3g4s s LYS 69 Cb 0.09 0.39 0.12 0.00 -0.52 0.00 0.00 37.83 37.91 3g4s s LYS 69 CO 0.68 -0.64 0.79 -1.50 -0.92 0.00 0.00 175.35 173.76 3g4s s ILE 70 N -3.60 -0.36 -0.14 2.17 2.07 -0.92 -4.90 121.20 115.52 3g4s s ILE 70 Ca 0.32 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.27 3g4s s ILE 70 Cb 0.02 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.60 3g4s s ILE 70 CO 0.17 0.00 1.00 -0.13 -1.91 0.00 0.00 174.94 174.07 3g4s s ARG 71 N 2.06 4.37 -0.00 3.50 0.52 -1.26 -0.99 118.95 127.14 3g4s s ARG 71 Ca -0.07 1.35 0.02 0.00 -0.52 0.00 0.00 55.73 56.51 3g4s s ARG 71 Cb -0.07 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.82 3g4s s ARG 71 CO -0.18 -0.40 -0.08 0.54 0.02 0.00 0.00 175.30 175.20 3g4s s VAL 72 N 2.33 0.63 -0.20 3.52 0.11 -0.24 -3.67 120.40 122.88 3g4s s VAL 72 Ca 0.46 -0.42 -0.04 0.00 -2.93 0.00 0.00 61.98 59.05 3g4s s VAL 72 Cb -0.17 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 3g4s s VAL 72 CO 0.14 0.13 -0.02 -0.60 -3.33 0.00 0.00 175.10 171.42 3g4s s ARG 73 N -0.33 3.53 0.18 1.54 3.52 0.11 -0.94 118.95 126.56 3g4s s ARG 73 Ca 0.02 -0.56 0.07 0.00 -0.13 0.00 0.00 55.73 55.13 3g4s s ARG 73 Cb -0.04 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.26 3g4s s ARG 73 CO -0.00 -0.05 -0.14 0.00 -0.81 0.00 0.00 175.30 174.30 3g4s s ALA 74 N 1.14 1.87 0.38 6.12 0.00 -0.95 -0.67 121.76 129.65 3g4s s ALA 74 Ca 0.02 -1.57 0.08 0.00 0.00 0.00 0.00 51.96 50.49 3g4s s ALA 74 Cb -0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 3g4s s ALA 74 CO 0.01 0.07 0.00 0.00 0.00 0.00 0.00 175.76 175.84 3g4s s ALA 75 N -2.81 3.17 -0.25 0.00 0.00 -0.06 -2.84 121.76 118.98 3g4s s ALA 75 Ca 0.19 -2.16 -0.02 0.00 0.00 0.00 0.00 51.96 49.97 3g4s s ALA 75 Cb -0.01 -0.06 0.13 0.00 0.00 0.00 0.00 23.12 23.18 3g4s s ALA 75 CO 0.05 -0.03 0.37 0.50 0.00 0.00 0.00 175.76 176.65 3g4s s ARG 76 N -3.71 0.35 0.00 0.00 3.52 -1.26 -3.80 118.95 114.04 3g4s s ARG 76 Ca 0.35 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 3g4s s ARG 76 Cb 0.05 -0.51 0.00 0.00 -1.56 0.00 0.00 34.95 32.94 3g4s s ARG 76 CO 0.18 -0.70 0.00 1.97 -0.81 0.00 0.00 175.30 175.94 3g4s n PHE 77 N 5.36 -0.61 -0.35 5.12 1.16 -0.99 -4.83 117.46 122.32 3g4s n PHE 77 Ca -0.03 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.59 3g4s n PHE 77 Cb 0.50 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.35 3g4s n PHE 77 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3g4s n GLU 78 N 0.00 -0.81 0.06 3.97 1.02 -1.26 -1.45 120.64 122.18 3g4s n GLU 78 Ca 0.00 0.65 -0.11 0.00 -0.02 0.00 0.00 57.16 57.68 3g4s n GLU 78 Cb 0.00 -0.94 -0.05 0.00 -0.02 0.00 0.00 31.44 30.43 3g4s n GLU 78 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3g4s h GLU 79 N -0.34 -0.30 -0.17 3.49 -0.00 -2.03 -3.02 114.58 112.21 3g4s h GLU 79 Ca -0.05 0.02 -0.17 0.00 -0.00 0.00 0.00 59.36 59.16 3g4s h GLU 79 Cb 0.33 0.07 0.01 0.00 -0.00 0.00 0.00 28.75 29.16 3g4s h GLU 79 CO 0.02 -0.20 -0.57 1.49 -0.00 0.00 0.00 179.01 179.75 3g4s h GLU 80 N -0.31 0.69 0.00 1.06 4.81 -2.07 -3.49 114.58 115.27 3g4s h GLU 80 Ca 0.05 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3g4s h GLU 80 Cb 0.38 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3g4s h GLU 80 CO -0.17 1.13 0.00 0.41 -0.73 0.00 0.00 179.01 179.65 3g4s n GLY 81 N 0.59 1.55 3.31 1.92 0.00 -1.14 -5.08 105.19 106.34 3g4s n GLY 81 Ca -0.07 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 3g4s n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3g4s s GLU 82 N -1.91 1.11 0.02 1.61 4.04 -0.53 -4.80 118.70 118.24 3g4s s GLU 82 Ca 0.00 -1.15 0.04 0.00 0.04 0.00 0.00 54.97 53.90 3g4s s GLU 82 Cb 0.00 0.37 -0.01 0.00 0.02 0.00 0.00 34.13 34.50 3g4s s GLU 82 CO 0.00 -0.40 -0.11 0.00 -1.84 0.00 0.00 175.26 172.91 3g4s s ALA 83 N -3.95 0.91 -0.12 -0.84 0.00 -1.12 -2.36 121.76 114.28 3g4s s ALA 83 Ca 0.16 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3g4s s ALA 83 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3g4s s ALA 83 CO -0.02 0.18 -0.15 0.42 0.00 0.00 0.00 175.76 176.19 3g4s s ILE 84 N -0.60 2.88 0.04 0.00 1.01 -1.25 -0.12 121.20 123.17 3g4s s ILE 84 Ca 0.01 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 59.99 3g4s s ILE 84 Cb -0.06 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3g4s s ILE 84 CO 0.00 0.53 -0.14 -0.69 0.00 0.00 0.00 174.94 174.64 3g4s s VAL 85 N 0.34 1.12 0.20 2.92 1.01 -0.18 -0.88 120.40 124.93 3g4s s VAL 85 Ca -0.12 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.72 3g4s s VAL 85 Cb -0.16 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.20 3g4s s VAL 85 CO 0.06 0.00 0.42 -1.83 0.00 0.00 0.00 175.10 173.76 3g4s s GLU 86 N -1.15 1.35 0.61 2.72 -1.05 0.15 -0.99 118.70 120.34 3g4s s GLU 86 Ca 0.02 -1.09 -0.15 0.00 -0.15 0.00 0.00 54.97 53.60 3g4s s GLU 86 Cb -0.08 0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 34.04 3g4s s GLU 86 CO 0.01 -0.55 1.05 0.00 0.95 0.00 0.00 175.26 176.73 3g4s s ALA 87 N -3.95 2.74 -2.61 -0.84 0.00 -1.26 0.06 121.76 115.89 3g4s s ALA 87 Ca 0.16 0.32 0.27 0.00 0.00 0.00 0.00 51.96 52.71 3g4s s ALA 87 Cb 0.01 -3.21 0.86 0.00 0.00 0.00 0.00 23.12 20.77 3g4s s ALA 87 CO 0.02 -0.88 1.64 -0.85 0.00 0.00 0.00 175.76 175.68