#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jb9 s ARG 3 N 0.00 4.29 -0.23 0.00 1.81 -1.26 -4.60 118.95 118.96 2jb9 s ARG 3 Ca 0.00 1.49 -0.17 0.00 -1.72 0.00 0.00 55.73 55.33 2jb9 s ARG 3 Cb 0.00 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 31.83 2jb9 s ARG 3 CO 0.00 -0.03 0.46 1.03 -0.68 0.00 0.00 175.30 176.09 2jb9 s ARG 4 N -2.35 4.12 -0.21 3.54 0.52 -1.26 -0.99 118.95 122.32 2jb9 s ARG 4 Ca 0.55 0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 56.02 2jb9 s ARG 4 Cb -0.22 -3.60 0.01 0.00 0.52 0.00 0.00 34.95 31.66 2jb9 s ARG 4 CO 0.27 -0.21 -0.11 0.42 0.02 0.00 0.00 175.30 175.69 2jb9 s ILE 5 N 1.86 2.73 -0.21 1.52 -1.09 -0.37 0.07 121.20 125.72 2jb9 s ILE 5 Ca 0.20 -0.80 -0.28 0.00 -2.23 0.00 0.00 60.65 57.54 2jb9 s ILE 5 Cb -0.15 -2.25 0.00 0.00 -1.58 0.00 0.00 42.46 38.48 2jb9 s ILE 5 CO 0.09 0.41 0.98 -0.22 -1.23 0.00 0.00 174.94 174.97 2jb9 s LEU 6 N 1.37 4.12 -0.38 2.97 0.20 -0.64 -0.54 118.68 125.78 2jb9 s LEU 6 Ca 0.04 1.32 -0.07 0.00 0.69 0.00 0.00 54.13 56.11 2jb9 s LEU 6 Cb -0.14 -3.46 0.06 0.00 -0.43 0.00 0.00 46.19 42.22 2jb9 s LEU 6 CO -0.07 -0.59 0.17 -0.69 -0.29 0.00 0.00 176.35 174.87 2jb9 s VAL 7 N 2.91 3.88 -0.52 1.68 1.01 0.11 -0.59 120.40 128.86 2jb9 s VAL 7 Ca 0.43 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 2jb9 s VAL 7 Cb -0.16 -3.31 0.13 0.00 0.00 0.00 0.00 36.38 33.04 2jb9 s VAL 7 CO 0.08 -0.36 0.42 -0.69 0.00 0.00 0.00 175.10 174.56 2jb9 s VAL 8 N 1.38 4.55 -0.22 2.92 1.01 0.85 -1.20 120.40 129.69 2jb9 s VAL 8 Ca 0.01 -1.83 -0.10 0.00 0.00 0.00 0.00 61.98 60.06 2jb9 s VAL 8 Cb -0.21 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.30 2jb9 s VAL 8 CO 0.02 -0.83 0.51 -0.70 0.00 0.00 0.00 175.10 174.10 2jb9 s GLU 9 N 1.26 0.46 0.27 2.72 2.56 -0.83 -1.89 118.70 123.26 2jb9 s GLU 9 Ca 0.07 1.06 0.19 0.00 0.00 0.00 0.00 54.97 56.28 2jb9 s GLU 9 Cb -0.26 0.25 0.10 0.00 2.00 0.00 0.00 34.13 36.23 2jb9 s GLU 9 CO -0.01 -0.19 1.31 0.00 -0.56 0.00 0.00 175.26 175.81 2jb9 h ALA 10 N 7.55 0.73 -2.04 6.30 0.00 -1.82 -3.40 119.26 126.58 2jb9 h ALA 10 Ca -0.26 -0.30 -0.60 0.00 0.00 0.00 0.00 54.91 53.75 2jb9 h ALA 10 Cb 1.16 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 2jb9 h ALA 10 CO 0.18 0.37 0.54 -1.21 0.00 0.00 0.00 179.25 179.13 2jb9 s GLU 11 N -3.11 3.73 0.16 0.00 0.41 -1.26 -4.95 118.70 113.68 2jb9 s GLU 11 Ca 0.03 0.39 -0.16 0.00 -0.41 0.00 0.00 54.97 54.82 2jb9 s GLU 11 Cb 0.07 -3.84 0.09 0.00 -1.78 0.00 0.00 34.13 28.67 2jb9 s GLU 11 CO 0.74 -1.00 1.71 0.00 -0.49 0.00 0.00 175.26 176.22 2jb9 h ALA 12 N 8.65 0.37 -0.51 5.21 0.00 -1.99 -0.17 119.26 130.81 2jb9 h ALA 12 Ca -0.24 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2jb9 h ALA 12 Cb 1.08 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2jb9 h ALA 12 CO 0.98 -0.37 0.22 -1.00 0.00 0.00 0.00 179.25 179.07 2jb9 h PRO 13 N 0.14 0.73 -0.13 0.00 0.13 -1.98 0.15 132.00 131.04 2jb9 h PRO 13 Ca 0.18 -0.10 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 2jb9 h PRO 13 Cb 0.24 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 2jb9 h PRO 13 CO -0.28 0.59 -0.11 0.82 -0.23 0.00 0.00 178.00 178.80 2jb9 h ILE 14 N 0.73 1.34 -0.54 -3.56 2.04 -1.78 -1.76 117.51 113.98 2jb9 h ILE 14 Ca 0.18 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.85 2jb9 h ILE 14 Cb 0.13 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 2jb9 h ILE 14 CO -0.02 0.36 0.27 -0.09 0.00 0.00 0.00 178.15 178.67 2jb9 h ARG 15 N -0.07 0.50 -0.55 2.37 2.43 -0.67 -1.09 114.38 117.30 2jb9 h ARG 15 Ca 0.02 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2jb9 h ARG 15 Cb 0.62 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2jb9 h ARG 15 CO 0.03 0.33 0.00 0.93 -1.51 0.00 0.00 179.97 179.75 2jb9 h GLU 16 N 0.52 0.94 0.02 0.20 5.08 -0.71 -0.62 114.58 120.00 2jb9 h GLU 16 Ca 0.24 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jb9 h GLU 16 Cb 0.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jb9 h GLU 16 CO -0.17 0.92 -0.01 1.98 -1.00 0.00 0.00 179.01 180.73 2jb9 h MET 17 N 0.86 -0.02 -0.30 2.33 4.05 -0.85 -0.58 114.93 120.42 2jb9 h MET 17 Ca 0.16 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.62 2jb9 h MET 17 Cb 0.50 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 2jb9 h MET 17 CO 0.02 0.06 0.09 0.28 0.23 0.00 0.00 176.91 177.59 2jb9 h VAL 18 N -0.10 0.90 -0.46 -5.77 2.07 -1.06 -0.25 116.25 111.58 2jb9 h VAL 18 Ca -0.00 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2jb9 h VAL 18 Cb 0.09 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2jb9 h VAL 18 CO 0.00 0.04 0.06 0.00 0.02 0.00 0.00 177.57 177.70 2jb9 h PHE 20 N 0.69 0.63 -0.28 0.00 3.57 -0.56 0.06 116.94 121.06 2jb9 h PHE 20 Ca 0.15 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2jb9 h PHE 20 Cb 0.34 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2jb9 h PHE 20 CO 0.02 0.71 0.17 0.28 -2.23 0.00 0.00 178.31 177.26 2jb9 h VAL 21 N 0.36 1.09 -0.33 1.41 2.07 -0.50 -1.67 116.25 118.69 2jb9 h VAL 21 Ca 0.09 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2jb9 h VAL 21 Cb 0.48 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2jb9 h VAL 21 CO 0.02 0.09 0.20 -0.07 0.02 0.00 0.00 177.57 177.83 2jb9 h LEU 22 N 0.36 0.33 -0.84 2.57 3.38 -1.03 -2.41 115.31 117.66 2jb9 h LEU 22 Ca 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2jb9 h LEU 22 Cb -0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2jb9 h LEU 22 CO -0.02 0.24 -0.43 1.05 0.09 0.00 0.00 178.44 179.37 2jb9 h GLU 23 N 0.40 0.00 0.00 1.13 4.11 -0.77 -1.17 114.58 118.28 2jb9 h GLU 23 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 2jb9 h GLU 23 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2jb9 h GLU 23 CO -0.05 0.43 0.00 1.04 0.07 0.00 0.00 179.01 180.50 2jb9 n GLN 24 N -3.56 0.01 -0.29 1.06 1.13 -0.64 -2.72 117.38 112.36 2jb9 n GLN 24 Ca -0.00 0.04 0.07 0.00 -1.94 0.00 0.00 57.00 55.17 2jb9 n GLN 24 Cb 0.54 -1.50 0.20 0.00 0.11 0.00 0.00 30.24 29.59 2jb9 n GLN 24 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jb9 n ASN 25 N -1.50 3.32 0.00 1.08 3.02 -0.59 -4.99 115.26 115.60 2jb9 n ASN 25 Ca 0.07 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 2jb9 n ASN 25 Cb 0.31 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2jb9 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jb9 n GLY 26 N -0.09 1.47 3.78 7.41 0.00 -0.94 -4.88 105.19 111.93 2jb9 n GLY 26 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2jb9 n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jb9 s PHE 27 N -2.32 2.72 -0.67 1.61 0.08 -0.55 -0.72 117.98 118.14 2jb9 s PHE 27 Ca 0.00 1.35 -0.08 0.00 0.12 0.00 0.00 56.93 58.32 2jb9 s PHE 27 Cb 0.00 -3.05 0.17 0.00 -0.57 0.00 0.00 43.02 39.57 2jb9 s PHE 27 CO 0.00 -1.78 0.54 -1.14 -0.10 0.00 0.00 175.22 172.74 2jb9 s GLN 28 N -5.01 2.92 0.41 0.44 0.74 -0.16 -4.18 119.66 114.82 2jb9 s GLN 28 Ca 0.61 -2.36 -0.23 0.00 0.05 0.00 0.00 55.36 53.43 2jb9 s GLN 28 Cb -0.16 -4.02 -0.10 0.00 1.10 0.00 0.00 33.01 29.84 2jb9 s GLN 28 CO 0.55 -1.22 1.00 -1.25 -0.55 0.00 0.00 175.29 173.82 2jb9 s PRO 29 N 0.29 4.20 -0.12 1.67 0.04 -1.26 -1.24 135.00 138.58 2jb9 s PRO 29 Ca 0.15 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.53 2jb9 s PRO 29 Cb -0.18 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 31.98 2jb9 s PRO 29 CO -0.05 -0.08 -0.13 0.08 0.04 0.00 0.00 177.00 176.87 2jb9 s VAL 30 N -1.86 1.40 0.09 -0.36 1.01 0.30 -4.88 120.40 116.09 2jb9 s VAL 30 Ca 0.59 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.79 2jb9 s VAL 30 Cb -0.16 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 2jb9 s VAL 30 CO 0.21 0.43 0.71 -1.61 0.00 0.00 0.00 175.10 174.84 2jb9 s GLU 31 N 1.34 4.44 -0.09 2.72 2.02 -1.26 0.06 118.70 127.93 2jb9 s GLU 31 Ca 0.00 0.99 -0.03 0.00 0.02 0.00 0.00 54.97 55.96 2jb9 s GLU 31 Cb -0.14 -3.30 0.04 0.00 0.10 0.00 0.00 34.13 30.83 2jb9 s GLU 31 CO -0.07 0.46 0.05 0.00 0.02 0.00 0.00 175.26 175.72 2jb9 s ALA 32 N -0.64 0.50 -1.37 5.21 0.00 -0.34 -4.92 121.76 120.20 2jb9 s ALA 32 Ca 0.35 -0.11 0.27 0.00 0.00 0.00 0.00 51.96 52.47 2jb9 s ALA 32 Cb -0.21 -0.81 0.90 0.00 0.00 0.00 0.00 23.12 23.01 2jb9 s ALA 32 CO 0.23 -0.71 1.67 -0.85 0.00 0.00 0.00 175.76 176.10 2jb9 n GLU 33 N 5.22 0.41 -3.88 0.00 0.28 -1.26 -1.96 120.64 119.44 2jb9 n GLU 33 Ca -0.06 -0.18 -0.08 0.00 -0.16 0.00 0.00 57.16 56.68 2jb9 n GLU 33 Cb 0.49 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.85 2jb9 n GLU 33 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2jb9 s ASP 34 N -2.72 -0.14 0.15 -1.84 1.47 -1.26 -3.93 116.67 108.40 2jb9 s ASP 34 Ca 0.20 -0.79 -0.16 0.00 1.18 0.00 0.00 52.55 52.98 2jb9 s ASP 34 Cb 0.19 0.73 0.06 0.00 -0.34 0.00 0.00 42.92 43.56 2jb9 s ASP 34 CO 0.56 -1.38 1.74 0.22 0.68 0.00 0.00 175.17 177.00 2jb9 h TYR 35 N 2.05 0.18 -0.21 2.11 3.20 -1.74 -1.85 116.97 120.70 2jb9 h TYR 35 Ca -0.23 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.53 2jb9 h TYR 35 Cb 1.25 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2jb9 h TYR 35 CO 0.64 0.06 -0.43 0.22 -1.64 0.00 0.00 178.16 177.01 2jb9 h ASP 36 N 0.24 0.54 -0.72 -2.11 1.82 -1.90 -1.63 116.42 112.66 2jb9 h ASP 36 Ca 0.16 -0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.53 2jb9 h ASP 36 Cb 0.16 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 39.98 2jb9 h ASP 36 CO -0.19 0.90 0.33 -1.28 -1.61 0.00 0.00 179.24 177.39 2jb9 h SER 37 N 0.41 0.97 -0.17 2.28 0.87 -1.89 -2.35 113.55 113.68 2jb9 h SER 37 Ca 0.03 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2jb9 h SER 37 Cb 0.92 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2jb9 h SER 37 CO 0.08 0.84 0.09 0.00 -0.53 0.00 0.00 176.83 177.31 2jb9 h ALA 38 N 1.31 0.22 -0.61 6.23 0.00 -0.92 -2.84 119.26 122.64 2jb9 h ALA 38 Ca 0.25 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2jb9 h ALA 38 Cb 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2jb9 h ALA 38 CO -0.03 -0.25 0.41 0.28 0.00 0.00 0.00 179.25 179.66 2jb9 h VAL 39 N 0.17 0.98 0.06 0.00 2.07 -1.01 -3.19 116.25 115.33 2jb9 h VAL 39 Ca 0.06 -0.19 -0.24 0.00 0.82 0.00 0.00 66.70 67.15 2jb9 h VAL 39 Cb 0.08 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2jb9 h VAL 39 CO -0.01 0.10 -1.07 0.78 0.02 0.00 0.00 177.57 177.39 2jb9 h ASN 40 N 0.56 0.34 0.00 0.57 2.35 -1.17 -1.82 115.58 116.41 2jb9 h ASN 40 Ca 0.27 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2jb9 h ASN 40 Cb 0.33 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2jb9 h ASN 40 CO -0.08 1.20 0.00 0.00 -1.65 0.00 0.00 177.43 176.90 2jb9 n GLN 41 N -3.57 0.00 -2.14 0.81 1.13 -1.23 -4.63 117.38 107.75 2jb9 n GLN 41 Ca -0.06 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.58 2jb9 n GLN 41 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.28 2jb9 n GLN 41 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jb9 n LEU 42 N 0.00 6.11 -4.15 1.08 4.77 -0.69 -4.69 117.00 119.44 2jb9 n LEU 42 Ca 0.00 -4.13 -0.10 0.00 -0.03 0.00 0.00 56.01 51.75 2jb9 n LEU 42 Cb 0.00 -1.67 -0.10 0.00 -2.33 0.00 0.00 43.42 39.32 2jb9 n LEU 42 CO 0.00 0.80 -0.34 0.20 -1.33 0.00 0.00 177.39 176.72 2jb9 s ASN 43 N 3.29 0.71 0.13 -1.43 0.01 -1.26 -5.08 114.94 111.32 2jb9 s ASN 43 Ca 0.48 -1.10 -0.27 0.00 -0.71 0.00 0.00 52.86 51.27 2jb9 s ASN 43 Cb 0.09 0.19 -0.07 0.00 0.41 0.00 0.00 41.25 41.88 2jb9 s ASN 43 CO -0.02 -0.61 1.46 -0.08 -1.51 0.00 0.00 177.10 176.35 2jb9 h GLU 44 N 2.93 -0.07 -5.14 -0.60 4.81 -1.98 -1.93 114.58 112.60 2jb9 h GLU 44 Ca -0.35 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2jb9 h GLU 44 Cb 1.18 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2jb9 h GLU 44 CO 0.63 -0.05 0.19 -0.35 -0.73 0.00 0.00 179.01 178.70 2jb9 n PRO 45 N -4.94 0.21 -2.20 0.92 -0.04 -1.26 -4.79 135.00 122.90 2jb9 n PRO 45 Ca 0.01 -1.23 -0.38 0.00 -0.04 0.00 0.00 63.50 61.86 2jb9 n PRO 45 Cb 0.24 -3.47 -0.01 0.00 -0.04 0.00 0.00 33.50 30.22 2jb9 n PRO 45 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jb9 s TRP 46 N 14.33 2.93 0.52 0.54 0.52 -0.72 -4.97 118.94 132.07 2jb9 s TRP 46 Ca 0.80 1.51 -0.22 0.00 0.02 0.00 0.00 56.10 58.20 2jb9 s TRP 46 Cb -0.11 -3.48 -0.06 0.00 -1.15 0.00 0.00 33.47 28.68 2jb9 s TRP 46 CO 0.16 -1.62 1.32 -2.14 0.02 0.00 0.00 176.95 174.68 2jb9 s PRO 47 N -2.40 3.33 0.21 4.98 0.02 -1.26 -4.83 135.00 135.05 2jb9 s PRO 47 Ca 0.59 2.14 0.21 0.00 0.02 0.00 0.00 61.00 63.96 2jb9 s PRO 47 Cb -0.32 -2.33 0.02 0.00 0.02 0.00 0.00 34.50 31.89 2jb9 s PRO 47 CO 0.41 -1.00 1.09 -0.44 -0.33 0.00 0.00 177.00 176.73 2jb9 h ASP 48 N 1.68 0.00 -4.54 2.53 5.19 -0.74 -3.48 116.42 117.06 2jb9 h ASP 48 Ca -0.50 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.85 2jb9 h ASP 48 Cb 1.28 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.59 2jb9 h ASP 48 CO 0.58 0.15 0.12 -0.22 -3.12 0.00 0.00 179.24 176.76 2jb9 s LEU 49 N -5.63 -0.56 -0.14 1.55 0.20 -1.18 -4.26 118.68 108.65 2jb9 s LEU 49 Ca 0.00 0.99 0.00 0.00 0.69 0.00 0.00 54.13 55.81 2jb9 s LEU 49 Cb 0.09 2.39 -0.01 0.00 -0.43 0.00 0.00 46.19 48.23 2jb9 s LEU 49 CO 0.78 -0.43 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.63 2jb9 s ILE 50 N -0.49 2.84 -0.30 6.68 1.01 -0.32 -1.62 121.20 129.00 2jb9 s ILE 50 Ca -0.06 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 2jb9 s ILE 50 Cb -0.02 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 2jb9 s ILE 50 CO 0.06 0.52 0.15 -0.22 0.00 0.00 0.00 174.94 175.44 2jb9 s LEU 51 N 0.55 4.01 -0.11 2.97 2.96 0.24 -0.23 118.68 129.07 2jb9 s LEU 51 Ca -0.09 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2jb9 s LEU 51 Cb -0.16 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.55 2jb9 s LEU 51 CO 0.04 -0.16 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.59 2jb9 s LEU 52 N 1.63 1.41 0.30 -0.68 0.20 -0.36 -0.10 118.68 121.08 2jb9 s LEU 52 Ca 0.05 -0.34 -0.29 0.00 0.69 0.00 0.00 54.13 54.24 2jb9 s LEU 52 Cb -0.17 -0.91 -0.10 0.00 -0.43 0.00 0.00 46.19 44.58 2jb9 s LEU 52 CO 0.06 -0.06 1.19 -1.83 -0.29 0.00 0.00 176.35 175.42 2jb9 s GLU 53 N 1.38 4.52 0.00 1.98 -1.05 -0.79 -2.11 118.70 122.62 2jb9 s GLU 53 Ca -0.00 1.98 0.00 0.00 -0.15 0.00 0.00 54.97 56.80 2jb9 s GLU 53 Cb -0.14 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.41 2jb9 s GLU 53 CO -0.05 0.03 0.00 1.87 0.95 0.00 0.00 175.26 178.06 2jb9 n TRP 54 N 1.10 0.00 -5.06 4.83 -0.00 -1.26 -3.69 117.44 113.36 2jb9 n TRP 54 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.21 2jb9 n TRP 54 Cb 0.43 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.58 2jb9 n TRP 54 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 2jb9 s MET 55 N 0.00 2.25 0.08 5.87 -1.94 -1.26 -0.35 119.30 123.94 2jb9 s MET 55 Ca 0.00 -0.76 0.04 0.00 -1.71 0.00 0.00 55.69 53.26 2jb9 s MET 55 Cb 0.00 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 34.92 2jb9 s MET 55 CO 0.00 0.29 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.67 2jb9 s LEU 56 N 0.01 2.31 -0.25 -0.03 2.01 -1.26 -4.76 118.68 116.71 2jb9 s LEU 56 Ca -0.06 -0.66 -0.31 0.00 0.01 0.00 0.00 54.13 53.11 2jb9 s LEU 56 Cb -0.13 -0.42 -0.08 0.00 0.01 0.00 0.00 46.19 45.57 2jb9 s LEU 56 CO 0.04 -0.14 2.17 -2.65 1.01 0.00 0.00 176.35 176.78 2jb9 n PRO 57 N 1.09 1.68 0.00 1.29 -0.02 -1.26 -2.46 135.00 135.32 2jb9 n PRO 57 Ca -0.20 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2jb9 n PRO 57 Cb 0.55 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 2jb9 n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jb9 n GLY 58 N 5.90 1.04 0.00 -1.23 0.00 -1.26 -2.20 105.19 107.44 2jb9 n GLY 58 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2jb9 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jb9 n GLY 59 N -0.50 -0.27 1.49 -0.02 0.00 -1.03 -4.87 105.19 99.99 2jb9 n GLY 59 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2jb9 n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jb9 n SER 60 N 0.00 -4.48 -0.35 1.61 3.41 -1.26 -4.20 113.62 108.35 2jb9 n SER 60 Ca 0.00 0.85 0.05 0.00 -0.26 0.00 0.00 58.87 59.51 2jb9 n SER 60 Cb 0.00 -3.32 0.20 0.00 -0.26 0.00 0.00 64.21 60.84 2jb9 n SER 60 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jb9 h GLY 61 N 1.83 1.53 1.83 5.00 0.00 -0.77 -1.47 103.07 111.01 2jb9 h GLY 61 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 2jb9 h GLY 61 CO 0.00 0.21 0.02 0.16 0.00 0.00 0.00 176.54 176.93 2jb9 h ILE 62 N 1.01 1.10 -0.03 2.60 3.07 -1.87 -1.16 117.51 122.23 2jb9 h ILE 62 Ca 0.45 -0.36 -0.23 0.00 1.55 0.00 0.00 64.86 66.28 2jb9 h ILE 62 Cb 0.36 0.96 0.01 0.00 -0.27 0.00 0.00 36.82 37.87 2jb9 h ILE 62 CO -0.23 0.12 -0.91 -0.61 -1.05 0.00 0.00 178.15 175.47 2jb9 h GLN 63 N 0.23 0.51 -0.59 0.16 4.15 -1.46 -3.04 115.11 115.07 2jb9 h GLN 63 Ca 0.06 -0.51 -0.03 0.00 0.77 0.00 0.00 58.65 58.93 2jb9 h GLN 63 Cb 0.13 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 2jb9 h GLN 63 CO 0.00 1.15 0.24 0.35 -1.93 0.00 0.00 178.83 178.63 2jb9 h PHE 64 N 0.31 0.85 -0.60 3.99 3.04 -0.80 -1.35 116.94 122.38 2jb9 h PHE 64 Ca -0.08 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.80 2jb9 h PHE 64 Cb 1.54 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.76 2jb9 h PHE 64 CO 0.07 0.66 0.28 0.82 -2.02 0.00 0.00 178.31 178.11 2jb9 h ILE 65 N 0.84 1.22 -0.74 1.41 2.04 -1.25 -0.67 117.51 120.36 2jb9 h ILE 65 Ca 0.20 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2jb9 h ILE 65 Cb 0.16 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2jb9 h ILE 65 CO -0.02 0.25 0.39 0.11 0.00 0.00 0.00 178.15 178.89 2jb9 h LYS 66 N 0.82 1.03 -0.38 2.37 1.57 -1.27 -2.33 116.57 118.39 2jb9 h LYS 66 Ca 0.20 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2jb9 h LYS 66 Cb 0.14 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 2jb9 h LYS 66 CO -0.02 0.78 0.16 1.25 -0.57 0.00 0.00 179.45 181.05 2jb9 h HIS 67 N 1.02 0.30 -0.22 -1.35 2.76 -0.91 -2.55 115.15 114.20 2jb9 h HIS 67 Ca 0.26 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.49 2jb9 h HIS 67 Cb 0.05 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2jb9 h HIS 67 CO 0.00 0.14 0.16 -0.07 -1.30 0.00 0.00 177.93 176.86 2jb9 h LEU 68 N 0.34 0.07 -0.10 0.26 3.38 -0.59 -1.75 115.31 116.92 2jb9 h LEU 68 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2jb9 h LEU 68 Cb 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2jb9 h LEU 68 CO -0.14 0.05 -0.18 0.29 0.09 0.00 0.00 178.44 178.54 2jb9 n LYS 69 N -4.49 0.29 -0.30 1.13 4.76 -0.97 -2.63 118.16 115.95 2jb9 n LYS 69 Ca 0.02 -0.10 0.06 0.00 -2.87 0.00 0.00 58.31 55.42 2jb9 n LYS 69 Cb 0.24 -1.50 0.20 0.00 -1.84 0.00 0.00 35.03 32.14 2jb9 n LYS 69 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jb9 n ARG 70 N -1.27 2.35 -3.71 1.97 1.74 -0.66 -4.84 116.66 112.24 2jb9 n ARG 70 Ca 0.10 -1.63 -0.11 0.00 -0.77 0.00 0.00 57.85 55.43 2jb9 n ARG 70 Cb 0.31 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.14 2jb9 n ARG 70 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2jb9 s GLU 71 N -1.59 0.33 0.00 5.56 2.56 -1.24 -5.04 118.70 119.28 2jb9 s GLU 71 Ca 0.30 0.67 0.03 0.00 0.00 0.00 0.00 54.97 55.97 2jb9 s GLU 71 Cb 0.18 -0.04 0.17 0.00 2.00 0.00 0.00 34.13 36.44 2jb9 s GLU 71 CO 0.17 -0.15 0.56 0.45 -0.56 0.00 0.00 175.26 175.73 2jb9 n SER 72 N 4.14 0.00 0.00 -1.70 2.88 -1.26 -1.48 113.62 116.20 2jb9 n SER 72 Ca -0.23 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 2jb9 n SER 72 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2jb9 n SER 72 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2jb9 n MET 73 N -0.88 0.71 0.00 -1.46 2.81 -1.26 -4.12 117.12 112.92 2jb9 n MET 73 Ca 0.02 -0.78 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 2jb9 n MET 73 Cb 0.01 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 2jb9 n MET 73 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2jb9 n THR 74 N -0.18 0.00 0.21 2.03 5.66 -1.26 -4.95 114.28 115.79 2jb9 n THR 74 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 2jb9 n THR 74 Cb 0.20 0.00 0.72 0.00 -1.55 0.00 0.00 70.33 69.70 2jb9 n THR 74 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2jb9 h ARG 75 N 0.00 0.00 -0.26 1.09 0.11 -1.01 -2.87 114.38 111.45 2jb9 h ARG 75 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2jb9 h ARG 75 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2jb9 h ARG 75 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 2jb9 n ASP 76 N -4.28 2.64 -4.69 0.08 8.00 -1.26 -4.85 116.55 112.19 2jb9 n ASP 76 Ca 0.00 -1.88 -0.42 0.00 0.71 0.00 0.00 54.79 53.20 2jb9 n ASP 76 Cb 0.22 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 2jb9 n ASP 76 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jb9 s ILE 77 N -0.97 4.47 0.45 0.53 1.01 -1.08 -4.98 121.20 120.63 2jb9 s ILE 77 Ca 0.19 1.77 -0.23 0.00 0.00 0.00 0.00 60.65 62.38 2jb9 s ILE 77 Cb 0.11 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 2jb9 s ILE 77 CO 0.14 0.03 1.19 -2.16 0.00 0.00 0.00 174.94 174.14 2jb9 s PRO 78 N 1.92 3.76 -0.12 2.79 0.04 -1.26 -4.87 135.00 137.27 2jb9 s PRO 78 Ca 0.53 1.85 0.02 0.00 0.04 0.00 0.00 61.00 63.44 2jb9 s PRO 78 Cb -0.23 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.87 2jb9 s PRO 78 CO 0.22 -0.57 -0.18 0.08 0.04 0.00 0.00 177.00 176.59 2jb9 s VAL 79 N -1.48 1.68 -0.12 -0.36 1.01 -1.26 -1.17 120.40 118.70 2jb9 s VAL 79 Ca 0.63 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2jb9 s VAL 79 Cb -0.31 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2jb9 s VAL 79 CO 0.37 0.48 -0.17 0.68 0.00 0.00 0.00 175.10 176.46 2jb9 s VAL 80 N 0.90 2.71 0.17 2.92 -7.23 0.68 -0.84 120.40 119.70 2jb9 s VAL 80 Ca -0.07 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.35 2jb9 s VAL 80 Cb -0.15 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2jb9 s VAL 80 CO -0.01 0.54 0.23 -0.04 -0.31 0.00 0.00 175.10 175.51 2jb9 s MET 81 N 0.36 3.22 -0.38 4.82 -1.94 -0.33 -1.23 119.30 123.82 2jb9 s MET 81 Ca -0.14 -0.73 0.04 0.00 -1.71 0.00 0.00 55.69 53.15 2jb9 s MET 81 Cb -0.17 -2.82 0.16 0.00 2.01 0.00 0.00 34.83 34.01 2jb9 s MET 81 CO 0.07 0.50 0.40 -1.17 -0.01 0.00 0.00 175.02 174.80 2jb9 s LEU 82 N -3.26 -0.13 0.07 -0.03 2.96 -0.90 -0.31 118.68 117.07 2jb9 s LEU 82 Ca 0.33 -1.60 0.06 0.00 -0.22 0.00 0.00 54.13 52.70 2jb9 s LEU 82 Cb -0.10 0.65 -0.04 0.00 0.50 0.00 0.00 46.19 47.20 2jb9 s LEU 82 CO 0.26 -0.24 -0.08 0.42 -1.32 0.00 0.00 176.35 175.39 2jb9 s THR 83 N 1.38 3.50 -1.39 3.68 -4.23 -0.56 -4.11 115.64 113.91 2jb9 s THR 83 Ca 0.18 -1.07 -0.13 0.00 -1.18 0.00 0.00 61.69 59.49 2jb9 s THR 83 Cb -0.14 -2.59 0.08 0.00 1.34 0.00 0.00 72.50 71.19 2jb9 s THR 83 CO -0.03 0.22 2.08 0.00 -0.54 0.00 0.00 174.62 176.35 2jb9 n ALA 84 N 1.02 5.34 -1.24 3.99 0.00 -1.26 0.73 120.51 129.09 2jb9 n ALA 84 Ca -0.14 -4.02 0.17 0.00 0.00 0.00 0.00 53.44 49.45 2jb9 n ALA 84 Cb 0.52 -3.36 -0.05 0.00 0.00 0.00 0.00 19.45 16.56 2jb9 n ALA 84 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jb9 n ARG 85 N 5.54 -2.57 0.00 0.00 0.63 -1.05 -4.43 116.66 114.77 2jb9 n ARG 85 Ca 0.48 1.78 0.00 0.00 -0.92 0.00 0.00 57.85 59.19 2jb9 n ARG 85 Cb 0.39 -3.11 0.00 0.00 0.45 0.00 0.00 32.46 30.18 2jb9 n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jb9 n GLY 86 N -3.89 0.00 0.00 5.14 0.00 -1.26 -2.12 105.19 103.06 2jb9 n GLY 86 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2jb9 n GLY 86 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jb9 n GLU 87 N 0.00 0.20 0.00 1.61 0.28 -1.26 -0.77 120.64 120.70 2jb9 n GLU 87 Ca 0.00 0.13 -0.12 0.00 -0.16 0.00 0.00 57.16 57.01 2jb9 n GLU 87 Cb 0.00 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.27 2jb9 n GLU 87 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2jb9 h GLU 88 N 0.00 -0.08 -0.65 3.44 4.57 -1.64 -2.92 114.58 117.30 2jb9 h GLU 88 Ca 0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jb9 h GLU 88 Cb 0.07 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 2jb9 h GLU 88 CO 0.00 0.48 0.40 1.49 -1.18 0.00 0.00 179.01 180.20 2jb9 h GLU 89 N -0.74 0.88 -0.37 1.92 4.81 -0.63 -2.37 114.58 118.07 2jb9 h GLU 89 Ca -0.01 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 2jb9 h GLU 89 Cb 0.60 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2jb9 h GLU 89 CO 0.01 0.61 -0.27 -0.44 -0.73 0.00 0.00 179.01 178.19 2jb9 h ASP 90 N 0.89 0.80 0.50 1.04 3.32 -1.56 -0.84 116.42 120.57 2jb9 h ASP 90 Ca 0.24 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 2jb9 h ASP 90 Cb -0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2jb9 h ASP 90 CO -0.05 1.02 -0.48 0.03 -1.72 0.00 0.00 179.24 178.04 2jb9 h ARG 91 N 0.66 0.00 0.06 3.56 3.08 -1.27 -3.31 114.38 117.17 2jb9 h ARG 91 Ca 0.08 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 2jb9 h ARG 91 Cb 0.79 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.85 2jb9 h ARG 91 CO 0.07 0.48 -0.46 0.28 -1.07 0.00 0.00 179.97 179.27 2jb9 h VAL 92 N 0.00 1.60 -4.14 2.04 2.07 -1.21 -3.40 116.25 113.20 2jb9 h VAL 92 Ca -0.00 -2.42 -0.52 0.00 0.82 0.00 0.00 66.70 64.58 2jb9 h VAL 92 Cb 0.86 3.22 0.11 0.00 -1.52 0.00 0.00 31.29 33.96 2jb9 h VAL 92 CO 0.06 0.64 0.42 -0.60 0.02 0.00 0.00 177.57 178.11 2jb9 s ARG 93 N -2.32 2.86 0.00 1.57 3.00 -0.34 -3.04 118.95 120.68 2jb9 s ARG 93 Ca -0.17 1.62 0.00 0.00 -1.00 0.00 0.00 55.73 56.17 2jb9 s ARG 93 Cb -0.01 -1.94 0.00 0.00 0.00 0.00 0.00 34.95 33.01 2jb9 s ARG 93 CO 0.74 -1.25 0.00 0.41 0.00 0.00 0.00 175.30 175.21 2jb9 n GLY 94 N 0.06 2.29 3.78 8.12 0.00 -1.26 -4.85 105.19 113.33 2jb9 n GLY 94 Ca 0.12 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2jb9 n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jb9 s LEU 95 N 0.00 3.27 0.00 0.99 2.96 -1.17 -4.90 118.68 119.83 2jb9 s LEU 95 Ca 0.00 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.79 2jb9 s LEU 95 Cb 0.00 -4.53 0.00 0.00 0.50 0.00 0.00 46.19 42.16 2jb9 s LEU 95 CO 0.00 -1.67 1.02 -0.62 -1.32 0.00 0.00 176.35 173.76 2jb9 n GLU 96 N -2.78 0.77 -0.23 1.98 -0.58 -1.26 -4.49 120.64 114.05 2jb9 n GLU 96 Ca 0.09 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.79 2jb9 n GLU 96 Cb 0.53 -1.11 0.01 0.00 -0.57 0.00 0.00 31.44 30.29 2jb9 n GLU 96 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2jb9 h THR 97 N 0.55 0.14 0.00 2.62 2.02 -1.91 -3.46 112.91 112.87 2jb9 h THR 97 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jb9 h THR 97 Cb 0.77 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2jb9 h THR 97 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2jb9 n GLY 98 N -1.44 2.71 3.62 2.16 0.00 -1.26 -4.79 105.19 106.19 2jb9 n GLY 98 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2jb9 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jb9 n ALA 99 N -0.86 0.24 0.02 4.61 0.00 -1.26 -4.94 120.51 118.32 2jb9 n ALA 99 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2jb9 n ALA 99 Cb 0.00 -2.12 -0.12 0.00 0.00 0.00 0.00 19.45 17.21 2jb9 n ALA 99 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2jb9 h ASP 100 N 0.47 0.00 -2.89 0.00 5.19 -1.38 -3.49 116.42 114.31 2jb9 h ASP 100 Ca -0.49 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.94 2jb9 h ASP 100 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 2jb9 h ASP 100 CO 0.51 0.91 0.35 -0.67 -3.12 0.00 0.00 179.24 177.22 2jb9 n ASP 101 N -3.13 -2.19 -3.90 6.45 -0.08 -1.13 -5.02 116.55 107.55 2jb9 n ASP 101 Ca -0.09 -2.45 -0.11 0.00 -1.51 0.00 0.00 54.79 50.63 2jb9 n ASP 101 Cb 0.97 3.63 -0.11 0.00 2.34 0.00 0.00 41.12 47.95 2jb9 n ASP 101 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2jb9 s TYR 102 N -2.12 0.08 -0.05 -0.67 2.02 -1.26 -1.18 117.35 114.17 2jb9 s TYR 102 Ca 0.17 -0.18 -0.02 0.00 -0.37 0.00 0.00 57.07 56.67 2jb9 s TYR 102 Cb -0.05 -0.08 0.04 0.00 -0.40 0.00 0.00 41.96 41.47 2jb9 s TYR 102 CO 0.11 -0.21 0.09 0.96 -1.57 0.00 0.00 175.55 174.93 2jb9 s ILE 103 N -1.13 -0.11 0.17 2.71 -4.36 0.58 -4.89 121.20 114.16 2jb9 s ILE 103 Ca -0.12 0.30 -0.25 0.00 -0.26 0.00 0.00 60.65 60.31 2jb9 s ILE 103 Cb -0.07 -0.18 -0.08 0.00 1.25 0.00 0.00 42.46 43.38 2jb9 s ILE 103 CO 0.00 0.12 0.78 0.42 0.24 0.00 0.00 174.94 176.51 2jb9 s THR 104 N 1.65 4.36 -0.03 8.37 -4.23 -1.26 -1.50 115.64 123.00 2jb9 s THR 104 Ca -0.03 1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 61.95 2jb9 s THR 104 Cb -0.12 -4.14 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 2jb9 s THR 104 CO -0.04 0.52 0.72 -0.54 -0.54 0.00 0.00 174.62 174.73 2jb9 s LYS 105 N -1.16 4.44 0.28 3.99 1.02 0.22 -3.12 119.74 125.41 2jb9 s LYS 105 Ca 0.36 0.93 -0.12 0.00 0.02 0.00 0.00 55.97 57.16 2jb9 s LYS 105 Cb -0.23 -3.41 -0.08 0.00 -0.52 0.00 0.00 37.83 33.58 2jb9 s LYS 105 CO 0.26 0.15 0.64 -1.25 -0.92 0.00 0.00 175.35 174.24 2jb9 s PRO 106 N 0.48 3.91 0.20 -1.68 0.04 -1.26 -2.52 135.00 134.16 2jb9 s PRO 106 Ca 0.38 0.48 0.07 0.00 0.04 0.00 0.00 61.00 61.96 2jb9 s PRO 106 Cb -0.19 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 2jb9 s PRO 106 CO 0.20 0.24 -0.12 -0.59 0.04 0.00 0.00 177.00 176.76 2jb9 s PHE 107 N -1.90 1.61 0.45 0.56 -0.12 -1.18 -5.06 117.98 112.35 2jb9 s PHE 107 Ca 0.51 -0.64 -0.10 0.00 -0.05 0.00 0.00 56.93 56.65 2jb9 s PHE 107 Cb -0.11 -0.78 -0.06 0.00 -0.63 0.00 0.00 43.02 41.44 2jb9 s PHE 107 CO 0.19 0.27 0.81 -1.54 -0.05 0.00 0.00 175.22 174.90 2jb9 s SER 108 N -3.29 6.44 0.28 1.98 1.04 -1.26 -4.96 113.70 113.94 2jb9 s SER 108 Ca 0.22 1.14 -0.00 0.00 0.48 0.00 0.00 55.95 57.79 2jb9 s SER 108 Cb 0.01 -2.33 0.49 0.00 0.10 0.00 0.00 66.02 64.28 2jb9 s SER 108 CO 0.06 -0.50 1.88 -0.65 0.98 0.00 0.00 173.24 175.01 2jb9 h PRO 109 N 0.85 1.05 -0.66 4.02 0.11 -2.01 -1.76 132.00 133.61 2jb9 h PRO 109 Ca -0.47 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 2jb9 h PRO 109 Cb 1.19 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 2jb9 h PRO 109 CO 0.63 0.69 0.15 0.87 -0.21 0.00 0.00 178.00 180.13 2jb9 h LYS 110 N 1.08 1.07 -0.48 1.05 1.57 -2.00 -2.07 116.57 116.79 2jb9 h LYS 110 Ca 0.43 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2jb9 h LYS 110 Cb 0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2jb9 h LYS 110 CO -0.18 0.96 0.05 1.49 -0.57 0.00 0.00 179.45 181.20 2jb9 h GLU 111 N 0.99 0.81 0.29 3.15 4.81 -1.83 -1.61 114.58 121.19 2jb9 h GLU 111 Ca 0.21 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2jb9 h GLU 111 Cb 0.38 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2jb9 h GLU 111 CO 0.00 0.83 -0.19 1.25 -0.73 0.00 0.00 179.01 180.18 2jb9 h LEU 112 N 0.68 -0.48 -0.69 1.64 5.85 -1.09 -0.71 115.31 120.52 2jb9 h LEU 112 Ca 0.14 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2jb9 h LEU 112 Cb 0.43 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2jb9 h LEU 112 CO 0.01 -0.30 0.19 0.58 -0.34 0.00 0.00 178.44 178.58 2jb9 h VAL 113 N -0.47 1.26 -0.61 1.05 2.07 -1.37 -1.72 116.25 116.46 2jb9 h VAL 113 Ca -0.03 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 2jb9 h VAL 113 Cb 0.39 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2jb9 h VAL 113 CO 0.02 0.36 0.26 0.00 0.02 0.00 0.00 177.57 178.22 2jb9 h ALA 114 N 1.09 0.80 -0.24 1.67 0.00 -1.12 -1.12 119.26 120.33 2jb9 h ALA 114 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2jb9 h ALA 114 Cb 0.34 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jb9 h ALA 114 CO -0.00 0.40 -0.19 0.00 0.00 0.00 0.00 179.25 179.45 2jb9 h ARG 115 N 0.85 0.56 -0.32 0.00 2.47 -0.94 -0.58 114.38 116.44 2jb9 h ARG 115 Ca 0.21 -0.28 0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2jb9 h ARG 115 Cb 0.18 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 2jb9 h ARG 115 CO -0.02 0.86 0.10 0.82 0.56 0.00 0.00 179.97 182.29 2jb9 h ILE 116 N 0.27 0.90 -0.50 2.04 2.04 -1.23 -0.97 117.51 120.06 2jb9 h ILE 116 Ca 0.05 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2jb9 h ILE 116 Cb 0.73 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2jb9 h ILE 116 CO 0.05 0.04 0.15 0.11 0.00 0.00 0.00 178.15 178.50 2jb9 h LYS 117 N 0.23 0.75 -0.31 2.37 1.57 -1.07 -1.93 116.57 118.17 2jb9 h LYS 117 Ca 0.14 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 2jb9 h LYS 117 Cb 0.12 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jb9 h LYS 117 CO -0.16 0.65 -0.37 0.00 -0.57 0.00 0.00 179.45 179.01 2jb9 h ALA 118 N 1.44 0.46 -0.55 3.86 0.00 -0.69 -1.75 119.26 122.03 2jb9 h ALA 118 Ca 0.17 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2jb9 h ALA 118 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jb9 h ALA 118 CO -0.01 0.55 0.10 0.28 0.00 0.00 0.00 179.25 180.17 2jb9 h VAL 119 N 0.57 1.24 -0.06 0.00 2.07 -0.96 -1.99 116.25 117.13 2jb9 h VAL 119 Ca 0.04 -0.90 -0.13 0.00 0.82 0.00 0.00 66.70 66.53 2jb9 h VAL 119 Cb 0.96 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2jb9 h VAL 119 CO 0.09 0.33 -0.55 0.24 0.02 0.00 0.00 177.57 177.70 2jb9 h MET 120 N 0.83 0.16 -0.29 1.57 2.07 -1.20 -2.10 114.93 115.97 2jb9 h MET 120 Ca 0.18 -0.10 -0.05 0.00 -2.07 0.00 0.00 59.70 57.65 2jb9 h MET 120 Cb 0.36 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.08 2jb9 h MET 120 CO 0.01 0.67 -0.04 -0.09 1.07 0.00 0.00 176.91 178.53 2jb9 h ARG 121 N 0.13 0.46 -0.02 1.72 2.43 -1.00 -3.28 114.38 114.81 2jb9 h ARG 121 Ca -0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2jb9 h ARG 121 Cb 1.01 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2jb9 h ARG 121 CO 0.08 0.52 -0.25 0.54 -1.51 0.00 0.00 179.97 179.35 2jb9 n ARG 122 N -4.27 1.38 0.00 0.20 5.12 -0.78 -5.10 116.66 113.21 2jb9 n ARG 122 Ca 0.01 -1.02 0.14 0.00 -1.93 0.00 0.00 57.85 55.05 2jb9 n ARG 122 Cb 0.25 -1.48 0.59 0.00 -1.16 0.00 0.00 32.46 30.66 2jb9 n ARG 122 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21