#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbe s ASP 3 N 0.00 6.59 0.37 0.00 2.15 -1.26 -4.90 116.67 119.62 1jbe s ASP 3 Ca 0.00 2.43 0.27 0.00 0.43 0.00 0.00 52.55 55.68 1jbe s ASP 3 Cb 0.00 -2.54 1.19 0.00 -0.30 0.00 0.00 42.92 41.27 1jbe s ASP 3 CO 0.00 -0.94 1.82 0.11 -0.17 0.00 0.00 175.17 175.98 1jbe h LYS 4 N 9.37 0.00 -0.65 4.34 1.79 -2.00 -1.84 116.57 127.58 1jbe h LYS 4 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1jbe h LYS 4 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1jbe h LYS 4 CO 0.94 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 179.70 1jbe n GLU 5 N -2.51 2.96 -1.56 3.15 -0.58 -1.26 -4.16 120.64 116.68 1jbe n GLU 5 Ca 0.01 -2.46 -0.53 0.00 -0.42 0.00 0.00 57.16 53.76 1jbe n GLU 5 Cb 0.22 -1.66 -0.06 0.00 -0.57 0.00 0.00 31.44 29.36 1jbe n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1jbe n LEU 6 N 1.23 1.13 -4.58 -4.62 7.94 -0.69 -4.82 117.00 112.60 1jbe n LEU 6 Ca 0.23 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.85 1jbe n LEU 6 Cb 0.68 -1.12 -0.07 0.00 0.53 0.00 0.00 43.42 43.44 1jbe n LEU 6 CO 0.18 -1.36 0.34 -0.75 -1.11 0.00 0.00 177.39 174.69 1jbe s LYS 7 N 0.17 3.74 0.01 1.96 2.20 -1.26 -4.50 119.74 122.06 1jbe s LYS 7 Ca 0.83 0.07 -0.16 0.00 -0.36 0.00 0.00 55.97 56.36 1jbe s LYS 7 Cb -1.01 -3.78 -0.06 0.00 -1.51 0.00 0.00 37.83 31.47 1jbe s LYS 7 CO 0.50 -0.66 0.44 -0.06 -0.36 0.00 0.00 175.35 175.22 1jbe s PHE 8 N 2.59 3.75 -0.23 4.03 0.40 -0.13 -0.30 117.98 128.08 1jbe s PHE 8 Ca 0.23 1.05 -0.05 0.00 -0.60 0.00 0.00 56.93 57.56 1jbe s PHE 8 Cb -0.15 -2.33 -0.01 0.00 0.51 0.00 0.00 43.02 41.04 1jbe s PHE 8 CO 0.13 0.63 0.00 -1.17 0.70 0.00 0.00 175.22 175.52 1jbe s LEU 9 N -1.09 3.13 -0.28 -0.37 2.96 -0.09 -0.87 118.68 122.07 1jbe s LEU 9 Ca 0.25 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 53.70 1jbe s LEU 9 Cb -0.17 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1jbe s LEU 9 CO 0.14 -0.04 0.15 -0.69 -1.32 0.00 0.00 176.35 174.60 1jbe s VAL 10 N 1.52 4.86 -0.20 1.68 1.01 -0.13 -0.98 120.40 128.16 1jbe s VAL 10 Ca 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1jbe s VAL 10 Cb -0.15 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1jbe s VAL 10 CO -0.01 0.22 -0.17 -0.69 0.00 0.00 0.00 175.10 174.45 1jbe s VAL 11 N 1.68 2.05 -0.01 2.92 1.01 0.35 -1.16 120.40 127.24 1jbe s VAL 11 Ca 0.06 -1.09 -0.28 0.00 0.00 0.00 0.00 61.98 60.67 1jbe s VAL 11 Cb -0.16 -1.94 0.10 0.00 0.00 0.00 0.00 36.38 34.38 1jbe s VAL 11 CO 0.08 0.39 0.82 -0.62 0.00 0.00 0.00 175.10 175.76 1jbe s ASP 12 N 1.26 -0.46 -0.01 3.32 2.15 -0.85 -1.39 116.67 120.69 1jbe s ASP 12 Ca 0.01 0.21 0.15 0.00 0.43 0.00 0.00 52.55 53.35 1jbe s ASP 12 Cb -0.15 0.44 0.45 0.00 -0.30 0.00 0.00 42.92 43.36 1jbe s ASP 12 CO -0.11 -0.63 1.36 -0.90 -0.17 0.00 0.00 175.17 174.73 1jbe n ASP 13 N 0.13 2.78 -4.15 -0.34 5.75 -1.21 -4.13 116.55 115.38 1jbe n ASP 13 Ca -0.12 -2.05 -0.33 0.00 -0.01 0.00 0.00 54.79 52.27 1jbe n ASP 13 Cb 0.61 -0.36 -0.15 0.00 -1.03 0.00 0.00 41.12 40.19 1jbe n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1jbe s PHE 14 N -1.40 2.87 0.41 2.11 0.40 -1.26 -5.01 117.98 116.09 1jbe s PHE 14 Ca 0.34 -1.58 0.07 0.00 -0.60 0.00 0.00 56.93 55.16 1jbe s PHE 14 Cb 0.18 -1.96 0.84 0.00 0.51 0.00 0.00 43.02 42.59 1jbe s PHE 14 CO 0.22 -0.77 2.06 0.66 0.70 0.00 0.00 175.22 178.09 1jbe h SER 15 N 7.96 0.48 -0.75 1.36 4.64 -2.00 -1.93 113.55 123.32 1jbe h SER 15 Ca -0.42 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1jbe h SER 15 Cb 1.13 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 1jbe h SER 15 CO 0.62 0.35 0.26 0.71 -0.87 0.00 0.00 176.83 177.90 1jbe h THR 16 N 0.57 1.26 -0.14 2.95 1.35 -1.99 -1.32 112.91 115.60 1jbe h THR 16 Ca 0.15 -0.87 -0.20 0.00 -0.55 0.00 0.00 66.41 64.95 1jbe h THR 16 Cb -0.06 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 66.77 1jbe h THR 16 CO -0.03 0.35 -0.71 -0.03 -0.25 0.00 0.00 175.52 174.84 1jbe h MET 17 N 1.11 0.61 -0.81 4.72 -1.53 -1.87 -0.64 114.93 116.52 1jbe h MET 17 Ca 0.25 -0.48 -0.00 0.00 -3.44 0.00 0.00 59.70 56.03 1jbe h MET 17 Cb 0.27 0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.37 1jbe h MET 17 CO -0.01 1.10 0.49 0.00 0.14 0.00 0.00 176.91 178.63 1jbe h ARG 18 N 0.43 1.09 -0.53 0.39 3.08 -1.19 -0.68 114.38 116.98 1jbe h ARG 18 Ca -0.03 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 1jbe h ARG 18 Cb 1.31 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1jbe h ARG 18 CO 0.14 0.76 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.64 1jbe h ARG 19 N 1.11 0.98 -0.14 0.04 9.65 -0.95 -0.20 114.38 124.87 1jbe h ARG 19 Ca 0.29 -0.35 0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1jbe h ARG 19 Cb -0.05 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.41 1jbe h ARG 19 CO -0.06 1.02 -0.12 0.82 2.80 0.00 0.00 179.97 184.44 1jbe h ILE 20 N 0.85 0.67 -0.46 1.20 2.04 -0.68 -0.27 117.51 120.86 1jbe h ILE 20 Ca 0.14 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 1jbe h ILE 20 Cb 0.63 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1jbe h ILE 20 CO 0.04 0.00 0.03 0.58 0.00 0.00 0.00 178.15 178.80 1jbe h VAL 21 N -0.13 1.26 -0.62 1.67 2.07 -0.94 -0.06 116.25 119.49 1jbe h VAL 21 Ca 0.09 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.69 1jbe h VAL 21 Cb 0.26 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1jbe h VAL 21 CO -0.22 0.34 0.32 -0.09 0.02 0.00 0.00 177.57 177.94 1jbe h ARG 22 N 0.64 0.57 -0.19 1.57 2.43 -0.92 -0.27 114.38 118.21 1jbe h ARG 22 Ca 0.13 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 1jbe h ARG 22 Cb 0.45 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1jbe h ARG 22 CO 0.02 0.38 -0.48 -0.97 -1.51 0.00 0.00 179.97 177.41 1jbe h ASN 23 N 0.59 0.53 -0.55 -3.80 -0.73 -0.56 -1.07 115.58 110.00 1jbe h ASN 23 Ca 0.29 -0.26 -0.06 0.00 1.87 0.00 0.00 56.30 58.14 1jbe h ASN 23 Cb 0.22 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 1jbe h ASN 23 CO -0.20 0.93 0.12 -0.07 -0.37 0.00 0.00 177.43 177.83 1jbe h LEU 24 N 0.39 0.84 -0.66 0.34 3.38 -0.66 -1.28 115.31 117.66 1jbe h LEU 24 Ca 0.02 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1jbe h LEU 24 Cb 0.99 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1jbe h LEU 24 CO 0.09 0.87 0.44 -0.07 0.09 0.00 0.00 178.44 179.85 1jbe h LEU 25 N 0.78 0.75 -1.02 1.67 3.38 -0.76 -2.15 115.31 117.97 1jbe h LEU 25 Ca 0.17 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1jbe h LEU 25 Cb 0.37 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1jbe h LEU 25 CO 0.01 0.54 0.55 0.11 0.09 0.00 0.00 178.44 179.74 1jbe h LYS 26 N 0.89 1.22 -0.30 1.13 1.57 -0.86 -0.24 116.57 119.99 1jbe h LYS 26 Ca 0.24 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1jbe h LYS 26 Cb -0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.94 1jbe h LYS 26 CO -0.06 0.85 0.21 0.93 -0.57 0.00 0.00 179.45 180.81 1jbe h GLU 27 N 1.24 0.14 -0.01 3.15 5.08 -0.59 -0.85 114.58 122.75 1jbe h GLU 27 Ca 0.33 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1jbe h GLU 27 Cb -0.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1jbe h GLU 27 CO -0.06 0.09 -0.22 1.28 -1.00 0.00 0.00 179.01 179.10 1jbe n LEU 28 N -4.48 1.16 0.00 1.33 4.77 -0.56 -4.94 117.00 114.28 1jbe n LEU 28 Ca 0.03 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1jbe n LEU 28 Cb 0.27 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1jbe n LEU 28 CO 0.35 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1jbe n GLY 29 N 1.31 0.87 3.25 -0.72 0.00 -0.32 -5.05 105.19 104.52 1jbe n GLY 29 Ca 0.13 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1jbe n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jbe s PHE 30 N -2.00 3.37 -0.76 1.61 0.08 -0.21 -4.78 117.98 115.30 1jbe s PHE 30 Ca 0.00 -1.68 0.15 0.00 0.12 0.00 0.00 56.93 55.53 1jbe s PHE 30 Cb 0.00 -3.61 -0.16 0.00 -0.57 0.00 0.00 43.02 38.68 1jbe s PHE 30 CO 0.00 -1.00 0.67 0.09 -0.10 0.00 0.00 175.22 174.87 1jbe n ASN 31 N 5.00 0.76 -4.46 1.36 3.02 -1.26 -2.84 115.26 116.85 1jbe n ASN 31 Ca -0.10 -0.88 -0.44 0.00 -0.03 0.00 0.00 54.58 53.13 1jbe n ASN 31 Cb 0.41 0.98 -0.01 0.00 -0.61 0.00 0.00 39.78 40.54 1jbe n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1jbe s ASN 32 N -2.44 6.87 -0.05 6.41 2.47 -1.26 -4.95 114.94 121.99 1jbe s ASN 32 Ca 0.06 -2.57 0.01 0.00 0.42 0.00 0.00 52.86 50.78 1jbe s ASN 32 Cb 0.12 -2.40 0.02 0.00 -1.45 0.00 0.00 41.25 37.54 1jbe s ASN 32 CO 0.63 -0.88 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.37 1jbe s VAL 33 N 2.04 0.70 0.36 -5.21 1.01 -1.26 -0.95 120.40 117.10 1jbe s VAL 33 Ca 0.38 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1jbe s VAL 33 Cb -0.04 -0.70 -0.07 0.00 0.00 0.00 0.00 36.38 35.57 1jbe s VAL 33 CO -0.04 0.26 -0.05 -1.61 0.00 0.00 0.00 175.10 173.66 1jbe s GLU 34 N 0.87 1.85 0.10 2.72 0.41 -0.05 -4.98 118.70 119.62 1jbe s GLU 34 Ca -0.12 -1.99 0.05 0.00 -0.41 0.00 0.00 54.97 52.50 1jbe s GLU 34 Cb -0.15 -1.61 -0.03 0.00 -1.78 0.00 0.00 34.13 30.56 1jbe s GLU 34 CO 0.01 0.05 -0.14 -1.21 -0.49 0.00 0.00 175.26 173.48 1jbe s GLU 35 N -3.67 0.93 0.05 1.61 2.02 -1.26 -0.96 118.70 117.43 1jbe s GLU 35 Ca 0.33 -1.12 -0.07 0.00 0.02 0.00 0.00 54.97 54.13 1jbe s GLU 35 Cb 0.06 -0.85 -0.01 0.00 0.10 0.00 0.00 34.13 33.43 1jbe s GLU 35 CO 0.17 0.17 0.14 0.00 0.02 0.00 0.00 175.26 175.76 1jbe s ALA 36 N -1.80 -0.15 -0.81 5.21 0.00 -0.31 -4.90 121.76 119.00 1jbe s ALA 36 Ca 0.04 -0.53 0.14 0.00 0.00 0.00 0.00 51.96 51.60 1jbe s ALA 36 Cb -0.07 0.31 -0.11 0.00 0.00 0.00 0.00 23.12 23.26 1jbe s ALA 36 CO 0.02 -0.38 0.63 -0.85 0.00 0.00 0.00 175.76 175.18 1jbe n GLU 37 N 0.50 2.38 -3.83 0.00 0.28 -1.26 -2.00 120.64 116.71 1jbe n GLU 37 Ca -0.18 -0.19 -0.07 0.00 -0.16 0.00 0.00 57.16 56.56 1jbe n GLU 37 Cb 0.60 -1.15 0.03 0.00 1.43 0.00 0.00 31.44 32.34 1jbe n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1jbe s ASP 38 N -2.13 0.02 0.36 -1.84 1.47 -1.26 -3.32 116.67 109.97 1jbe s ASP 38 Ca 0.07 -1.05 0.13 0.00 1.18 0.00 0.00 52.55 52.87 1jbe s ASP 38 Cb 0.10 0.76 0.67 0.00 -0.34 0.00 0.00 42.92 44.11 1jbe s ASP 38 CO 0.50 -1.52 1.79 1.23 0.68 0.00 0.00 175.17 177.85 1jbe h GLY 39 N 2.00 0.00 0.66 2.12 0.00 -1.49 -1.04 103.07 105.32 1jbe h GLY 39 Ca -0.32 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1jbe h GLY 39 CO 0.41 0.00 -0.06 -2.08 0.00 0.00 0.00 176.54 174.80 1jbe h VAL 40 N 0.00 1.34 -0.93 4.60 2.07 -1.88 -1.55 116.25 119.90 1jbe h VAL 40 Ca -0.00 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.43 1jbe h VAL 40 Cb 0.73 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 1jbe h VAL 40 CO 0.05 0.32 0.59 -0.78 0.02 0.00 0.00 177.57 177.78 1jbe h ASP 41 N -0.20 0.95 -0.29 0.57 3.58 -1.93 -0.93 116.42 118.18 1jbe h ASP 41 Ca 0.02 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1jbe h ASP 41 Cb 0.54 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1jbe h ASP 41 CO 0.02 0.61 0.18 0.00 -2.88 0.00 0.00 179.24 177.17 1jbe h ALA 42 N 1.42 0.37 -0.74 -0.78 0.00 -1.06 -1.76 119.26 116.71 1jbe h ALA 42 Ca 0.40 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1jbe h ALA 42 Cb 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1jbe h ALA 42 CO -0.17 -0.15 0.26 -0.07 0.00 0.00 0.00 179.25 179.12 1jbe h LEU 43 N 0.38 1.05 -0.90 0.00 3.38 -0.73 0.70 115.31 119.19 1jbe h LEU 43 Ca 0.10 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.00 1jbe h LEU 43 Cb -0.02 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.38 1jbe h LEU 43 CO -0.02 0.95 0.53 0.78 0.09 0.00 0.00 178.44 180.78 1jbe h ASN 44 N 1.09 0.78 -0.10 -0.43 2.35 -0.75 -1.80 115.58 116.72 1jbe h ASN 44 Ca 0.24 0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.89 1jbe h ASN 44 Cb 0.26 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.53 1jbe h ASN 44 CO -0.01 0.43 -0.52 0.11 -1.65 0.00 0.00 177.43 175.79 1jbe h LYS 45 N 0.88 0.53 -0.08 0.81 1.57 -0.65 -3.26 116.57 116.37 1jbe h LYS 45 Ca 0.43 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1jbe h LYS 45 Cb 0.40 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1jbe h LYS 45 CO -0.25 1.06 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.56 1jbe h LEU 46 N 0.14 0.11 -2.26 2.94 3.38 -0.60 -1.09 115.31 117.92 1jbe h LEU 46 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jbe h LEU 46 Cb 1.16 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1jbe h LEU 46 CO 0.11 0.19 0.00 1.56 0.09 0.00 0.00 178.44 180.39 1jbe h GLN 47 N 0.12 0.00 0.00 1.13 4.20 -1.37 -1.90 115.11 117.29 1jbe h GLN 47 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1jbe h GLN 47 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1jbe h GLN 47 CO 0.01 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1jbe h ALA 48 N 2.01 1.00 0.00 3.87 0.00 -1.32 -3.49 119.26 121.33 1jbe h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jbe h ALA 48 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jbe h ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1jbe n GLY 49 N 0.32 -0.40 1.95 0.00 0.00 -0.71 -5.00 105.19 101.34 1jbe n GLY 49 Ca 0.02 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1jbe n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbe n GLY 50 N -0.35 1.23 3.79 -0.02 0.00 -1.26 -4.98 105.19 103.60 1jbe n GLY 50 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1jbe n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jbe s TYR 51 N -3.06 2.93 0.00 1.61 2.02 -1.26 -4.54 117.35 115.04 1jbe s TYR 51 Ca 0.00 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.26 1jbe s TYR 51 Cb 0.00 -3.10 0.00 0.00 -0.40 0.00 0.00 41.96 38.46 1jbe s TYR 51 CO 0.00 -1.04 0.02 0.41 -1.57 0.00 0.00 175.55 173.37 1jbe n GLY 52 N -0.34 0.90 3.64 0.71 0.00 0.59 -4.89 105.19 105.80 1jbe n GLY 52 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1jbe n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jbe s PHE 53 N -0.64 -0.64 -0.11 1.61 2.19 -0.94 -4.33 117.98 115.11 1jbe s PHE 53 Ca 0.00 1.51 0.03 0.00 0.33 0.00 0.00 56.93 58.80 1jbe s PHE 53 Cb 0.00 0.35 -0.00 0.00 -1.31 0.00 0.00 43.02 42.06 1jbe s PHE 53 CO 0.00 -0.31 -0.22 0.08 1.83 0.00 0.00 175.22 176.60 1jbe s VAL 54 N 0.50 2.28 -0.24 3.12 1.01 -0.16 -0.92 120.40 126.00 1jbe s VAL 54 Ca -0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1jbe s VAL 54 Cb -0.05 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1jbe s VAL 54 CO -0.06 0.55 -0.07 -0.63 0.00 0.00 0.00 175.10 174.90 1jbe s ILE 55 N 0.34 2.89 -0.01 2.22 1.01 -0.15 -0.81 121.20 126.68 1jbe s ILE 55 Ca -0.17 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.59 1jbe s ILE 55 Cb -0.18 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 1jbe s ILE 55 CO 0.08 0.26 -0.13 -0.94 0.00 0.00 0.00 174.94 174.22 1jbe s SER 56 N 1.35 1.51 0.50 3.58 1.04 -0.30 -0.49 113.70 120.88 1jbe s SER 56 Ca 0.01 -0.23 -0.21 0.00 0.48 0.00 0.00 55.95 56.00 1jbe s SER 56 Cb -0.16 -0.18 -0.07 0.00 0.10 0.00 0.00 66.02 65.71 1jbe s SER 56 CO -0.05 0.15 1.11 -0.62 0.98 0.00 0.00 173.24 174.81 1jbe s ASP 57 N -0.27 6.04 0.21 7.02 2.15 -0.49 -0.65 116.67 130.69 1jbe s ASP 57 Ca 0.04 2.14 -0.07 0.00 0.43 0.00 0.00 52.55 55.09 1jbe s ASP 57 Cb -0.05 -2.58 0.17 0.00 -0.30 0.00 0.00 42.92 40.16 1jbe s ASP 57 CO -0.00 -1.00 1.73 -0.25 -0.17 0.00 0.00 175.17 175.48 1jbe h TRP 58 N 1.57 1.13 -3.56 -5.34 2.91 -1.04 -3.14 115.95 108.48 1jbe h TRP 58 Ca -0.50 -0.13 -0.70 0.00 1.13 0.00 0.00 58.89 58.69 1jbe h TRP 58 Cb 1.25 -0.32 -0.31 0.00 -0.51 0.00 0.00 29.16 29.27 1jbe h TRP 58 CO 0.53 0.93 -0.56 1.21 -1.03 0.00 0.00 178.44 179.53 1jbe s ASN 59 N -6.49 5.35 0.03 2.65 2.47 -1.26 -1.62 114.94 116.07 1jbe s ASN 59 Ca -0.12 -1.52 -0.07 0.00 0.42 0.00 0.00 52.86 51.57 1jbe s ASN 59 Cb 0.15 -1.88 -0.00 0.00 -1.45 0.00 0.00 41.25 38.07 1jbe s ASN 59 CO 0.84 -0.45 0.13 -0.04 -3.72 0.00 0.00 177.10 173.86 1jbe s MET 60 N 1.32 0.58 0.68 0.43 -1.94 -1.26 -4.78 119.30 114.32 1jbe s MET 60 Ca 0.02 -0.62 -0.11 0.00 -1.71 0.00 0.00 55.69 53.27 1jbe s MET 60 Cb -0.22 0.23 0.00 0.00 2.01 0.00 0.00 34.83 36.86 1jbe s MET 60 CO 0.00 -0.15 1.06 -1.25 -0.01 0.00 0.00 175.02 174.67 1jbe s PRO 61 N -2.21 3.02 0.00 2.03 0.04 -1.26 -3.71 135.00 132.91 1jbe s PRO 61 Ca -0.08 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1jbe s PRO 61 Cb -0.03 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1jbe s PRO 61 CO -0.02 -1.03 0.00 0.09 0.04 0.00 0.00 177.00 176.07 1jbe n ASN 62 N -3.05 0.00 -3.70 6.66 3.02 -1.26 -4.36 115.26 112.57 1jbe n ASN 62 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.41 1jbe n ASN 62 Cb 0.54 0.00 -0.18 0.00 -0.61 0.00 0.00 39.78 39.53 1jbe n ASN 62 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1jbe s MET 63 N 0.00 0.18 0.88 3.52 -1.94 -1.26 -4.96 119.30 115.72 1jbe s MET 63 Ca 0.00 0.21 -0.10 0.00 -1.71 0.00 0.00 55.69 54.09 1jbe s MET 63 Cb 0.00 -0.86 0.18 0.00 2.01 0.00 0.00 34.83 36.16 1jbe s MET 63 CO 0.00 -0.37 1.20 0.16 -0.01 0.00 0.00 175.02 176.00 1jbe s ASP 64 N 2.09 3.51 0.21 3.03 1.47 -1.24 -1.57 116.67 124.17 1jbe s ASP 64 Ca 0.04 -0.05 -0.08 0.00 1.18 0.00 0.00 52.55 53.64 1jbe s ASP 64 Cb -0.13 -0.08 0.17 0.00 -0.34 0.00 0.00 42.92 42.54 1jbe s ASP 64 CO -0.05 -2.45 1.81 1.23 0.68 0.00 0.00 175.17 176.40 1jbe h GLY 65 N -1.23 1.24 0.98 2.12 0.00 -1.25 -0.88 103.07 104.05 1jbe h GLY 65 Ca -0.41 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.29 1jbe h GLY 65 CO 0.37 0.58 0.23 -2.00 0.00 0.00 0.00 176.54 175.72 1jbe h LEU 66 N 1.14 0.74 -0.56 3.11 5.85 -1.86 -0.72 115.31 122.99 1jbe h LEU 66 Ca 0.28 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1jbe h LEU 66 Cb 0.11 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1jbe h LEU 66 CO -0.04 0.69 0.06 -0.33 -0.34 0.00 0.00 178.44 178.48 1jbe h GLU 67 N 0.74 0.96 -0.14 1.25 5.08 -1.87 -0.16 114.58 120.43 1jbe h GLU 67 Ca 0.18 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1jbe h GLU 67 Cb 0.17 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1jbe h GLU 67 CO -0.02 0.93 -0.02 1.25 -1.00 0.00 0.00 179.01 180.15 1jbe h LEU 68 N 0.85 -0.10 -0.35 1.33 5.85 -0.98 -1.39 115.31 120.52 1jbe h LEU 68 Ca 0.17 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.96 1jbe h LEU 68 Cb 0.46 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1jbe h LEU 68 CO 0.02 -0.03 0.12 0.25 -0.34 0.00 0.00 178.44 178.46 1jbe h LEU 69 N 0.02 0.14 -1.03 2.25 5.85 -0.95 -0.84 115.31 120.76 1jbe h LEU 69 Ca 0.07 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1jbe h LEU 69 Cb 0.09 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1jbe h LEU 69 CO -0.13 0.12 0.43 0.11 -0.34 0.00 0.00 178.44 178.63 1jbe h LYS 70 N 0.27 1.11 -0.32 1.25 1.57 -0.81 -1.14 116.57 118.51 1jbe h LYS 70 Ca 0.16 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1jbe h LYS 70 Cb 0.12 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1jbe h LYS 70 CO -0.16 0.82 -0.17 1.15 -0.57 0.00 0.00 179.45 180.52 1jbe h THR 71 N 1.12 1.29 0.08 -0.16 2.02 -0.76 -1.35 112.91 115.15 1jbe h THR 71 Ca 0.28 -1.29 0.02 0.00 0.77 0.00 0.00 66.41 66.19 1jbe h THR 71 Cb 0.03 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1jbe h THR 71 CO -0.04 0.42 -0.21 0.40 0.37 0.00 0.00 175.52 176.45 1jbe h ILE 72 N 0.46 0.51 0.00 3.11 2.04 -0.90 -3.05 117.51 119.68 1jbe h ILE 72 Ca 0.07 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 1jbe h ILE 72 Cb 0.71 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1jbe h ILE 72 CO 0.05 0.00 -0.18 0.03 0.00 0.00 0.00 178.15 178.05 1jbe h ARG 73 N -0.39 0.00 -0.94 2.37 2.47 -1.02 -3.33 114.38 113.54 1jbe h ARG 73 Ca 0.04 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1jbe h ARG 73 Cb 0.42 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 1jbe h ARG 73 CO -0.14 0.18 0.04 0.00 0.56 0.00 0.00 179.97 180.61 1jbe n ALA 74 N -2.45 2.86 -0.48 0.04 0.00 -0.53 -4.85 120.51 115.11 1jbe n ALA 74 Ca -0.02 -0.42 0.37 0.00 0.00 0.00 0.00 53.44 53.37 1jbe n ALA 74 Cb 0.25 -1.04 0.60 0.00 0.00 0.00 0.00 19.45 19.26 1jbe n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jbe n ALA 77 N 0.14 1.31 1.96 0.00 0.00 -1.26 -5.09 120.51 117.57 1jbe n ALA 77 Ca 0.07 0.60 0.16 0.00 0.00 0.00 0.00 53.44 54.27 1jbe n ALA 77 Cb 0.52 -0.87 0.93 0.00 0.00 0.00 0.00 19.45 20.03 1jbe n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1jbe n MET 78 N -3.86 0.97 0.29 0.00 2.00 -1.26 -4.53 117.12 110.72 1jbe n MET 78 Ca 0.34 -0.01 0.18 0.00 0.00 0.00 0.00 57.70 58.21 1jbe n MET 78 Cb 1.43 -1.50 0.77 0.00 0.00 0.00 0.00 33.22 33.92 1jbe n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1jbe h SER 79 N 0.02 0.00 -0.70 7.83 4.64 -1.89 -1.83 113.55 121.62 1jbe h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jbe h SER 79 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1jbe h SER 79 CO 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1jbe n ALA 80 N -2.10 2.59 -1.66 5.18 0.00 -1.26 -4.16 120.51 119.10 1jbe n ALA 80 Ca -0.00 -1.40 -0.46 0.00 0.00 0.00 0.00 53.44 51.58 1jbe n ALA 80 Cb 0.27 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 1jbe n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jbe n LEU 81 N 1.45 2.97 -4.77 0.00 4.77 -0.69 -4.91 117.00 115.83 1jbe n LEU 81 Ca 0.25 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.93 1jbe n LEU 81 Cb 0.70 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1jbe n LEU 81 CO 0.19 -0.44 1.12 -2.65 -1.33 0.00 0.00 177.39 174.27 1jbe n PRO 82 N 2.77 2.58 -3.82 3.23 -0.02 -1.26 -4.89 135.00 133.59 1jbe n PRO 82 Ca 0.15 0.91 -0.26 0.00 -2.02 0.00 0.00 63.50 62.28 1jbe n PRO 82 Cb 0.29 -2.65 -0.17 0.00 -0.02 0.00 0.00 33.50 30.95 1jbe n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jbe s VAL 83 N -1.13 0.71 -0.29 -1.45 1.01 -1.26 -0.99 120.40 117.01 1jbe s VAL 83 Ca 0.55 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 1jbe s VAL 83 Cb -0.47 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1jbe s VAL 83 CO 0.63 0.15 0.18 -0.22 0.00 0.00 0.00 175.10 175.84 1jbe s LEU 84 N 1.82 4.03 -0.03 3.92 2.96 0.01 -0.34 118.68 131.05 1jbe s LEU 84 Ca 0.03 -0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 53.60 1jbe s LEU 84 Cb -0.14 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1jbe s LEU 84 CO -0.07 -0.09 0.57 -0.32 -1.32 0.00 0.00 176.35 175.13 1jbe s MET 85 N 1.73 4.30 -0.10 1.98 -2.45 -0.33 -1.15 119.30 123.28 1jbe s MET 85 Ca 0.07 0.68 -0.02 0.00 -1.25 0.00 0.00 55.69 55.17 1jbe s MET 85 Cb -0.16 -3.36 -0.03 0.00 1.25 0.00 0.00 34.83 32.53 1jbe s MET 85 CO 0.10 0.33 -0.03 0.08 1.05 0.00 0.00 175.02 176.55 1jbe s VAL 86 N -0.04 4.01 0.02 10.11 1.01 0.18 -0.33 120.40 135.37 1jbe s VAL 86 Ca 0.30 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1jbe s VAL 86 Cb -0.18 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1jbe s VAL 86 CO 0.16 0.57 0.10 0.28 0.00 0.00 0.00 175.10 176.21 1jbe s THR 87 N -0.48 0.10 0.24 3.92 -1.32 -0.44 -0.32 115.64 117.35 1jbe s THR 87 Ca 0.08 -0.87 0.15 0.00 -1.21 0.00 0.00 61.69 59.84 1jbe s THR 87 Cb -0.12 -0.59 0.06 0.00 -1.51 0.00 0.00 72.50 70.34 1jbe s THR 87 CO 0.02 -0.48 1.70 0.00 -2.21 0.00 0.00 174.62 173.65 1jbe h ALA 88 N 4.08 1.04 -1.21 11.08 0.00 -1.88 -0.91 119.26 131.45 1jbe h ALA 88 Ca -0.32 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.22 1jbe h ALA 88 Cb 1.19 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.69 1jbe h ALA 88 CO 0.44 0.60 -0.28 -2.00 0.00 0.00 0.00 179.25 178.01 1jbe s GLU 89 N -3.69 0.54 -1.05 0.00 2.12 -1.26 -4.77 118.70 110.59 1jbe s GLU 89 Ca -0.01 1.00 -0.16 0.00 0.36 0.00 0.00 54.97 56.15 1jbe s GLU 89 Cb 0.12 0.47 0.16 0.00 0.26 0.00 0.00 34.13 35.13 1jbe s GLU 89 CO 0.72 -0.58 1.24 0.00 -0.54 0.00 0.00 175.26 176.10 1jbe s ALA 90 N 2.82 3.71 0.40 6.30 0.00 -1.26 -5.01 121.76 128.74 1jbe s ALA 90 Ca 0.17 -3.08 -0.26 0.00 0.00 0.00 0.00 51.96 48.79 1jbe s ALA 90 Cb -0.15 -4.04 -0.09 0.00 0.00 0.00 0.00 23.12 18.84 1jbe s ALA 90 CO -0.20 -2.84 1.29 0.15 0.00 0.00 0.00 175.76 174.17 1jbe s LYS 91 N 1.97 3.98 0.28 0.00 1.02 -1.26 -4.82 119.74 120.91 1jbe s LYS 91 Ca 0.36 2.13 -0.06 0.00 0.02 0.00 0.00 55.97 58.43 1jbe s LYS 91 Cb -0.04 -2.75 0.51 0.00 -0.52 0.00 0.00 37.83 35.03 1jbe s LYS 91 CO -0.05 -0.48 1.52 1.17 -0.92 0.00 0.00 175.35 176.59 1jbe n LYS 92 N 0.13 -0.09 -0.07 1.68 4.81 -1.26 -0.59 118.16 122.77 1jbe n LYS 92 Ca 0.04 1.51 -0.05 0.00 -0.87 0.00 0.00 58.31 58.93 1jbe n LYS 92 Cb 0.44 -2.28 0.15 0.00 0.02 0.00 0.00 35.03 33.36 1jbe n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1jbe h GLU 93 N 0.00 0.70 -0.45 1.64 3.07 -1.99 -1.44 114.58 116.10 1jbe h GLU 93 Ca 0.49 -0.23 -0.08 0.00 -0.50 0.00 0.00 59.36 59.04 1jbe h GLU 93 Cb 0.82 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 1jbe h GLU 93 CO -0.99 0.81 -0.04 -0.91 -1.40 0.00 0.00 179.01 176.49 1jbe h ASN 94 N 0.64 0.81 -0.46 1.42 2.35 -1.21 -1.10 115.58 118.03 1jbe h ASN 94 Ca 0.11 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1jbe h ASN 94 Cb 0.59 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1jbe h ASN 94 CO 0.04 0.95 0.29 0.40 -1.65 0.00 0.00 177.43 177.46 1jbe h ILE 95 N 0.66 1.13 -0.36 2.81 2.04 -0.79 -0.24 117.51 122.76 1jbe h ILE 95 Ca 0.12 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 1jbe h ILE 95 Cb 0.55 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1jbe h ILE 95 CO 0.03 0.13 -0.16 0.40 0.00 0.00 0.00 178.15 178.55 1jbe h ILE 96 N 0.62 1.28 -0.50 -0.67 2.04 -1.24 -0.45 117.51 118.59 1jbe h ILE 96 Ca 0.17 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1jbe h ILE 96 Cb -0.04 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1jbe h ILE 96 CO -0.03 0.42 0.33 0.00 0.00 0.00 0.00 178.15 178.86 1jbe h ALA 97 N 0.80 0.63 -0.32 1.87 0.00 -0.98 0.30 119.26 121.56 1jbe h ALA 97 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jbe h ALA 97 Cb 0.70 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1jbe h ALA 97 CO 0.05 0.09 0.07 0.00 0.00 0.00 0.00 179.25 179.46 1jbe h ALA 98 N 1.18 0.42 -0.25 0.00 0.00 -0.93 -1.53 119.26 118.14 1jbe h ALA 98 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jbe h ALA 98 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1jbe h ALA 98 CO -0.04 0.09 0.14 0.00 0.00 0.00 0.00 179.25 179.44 1jbe h ALA 99 N 0.91 0.32 0.00 0.00 0.00 -0.82 0.15 119.26 119.81 1jbe h ALA 99 Ca 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1jbe h ALA 99 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jbe h ALA 99 CO 0.00 -0.15 -0.20 1.96 0.00 0.00 0.00 179.25 180.86 1jbe h GLN 100 N 0.29 0.00 -0.00 0.00 4.20 -0.91 -0.91 115.11 117.78 1jbe h GLN 100 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1jbe h GLN 100 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1jbe h GLN 100 CO -0.01 0.20 -0.02 0.00 -0.67 0.00 0.00 178.83 178.33 1jbe n ALA 101 N -2.43 2.55 0.00 3.87 0.00 -0.58 -4.91 120.51 119.01 1jbe n ALA 101 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1jbe n ALA 101 Cb 0.28 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1jbe n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jbe n GLY 102 N 1.28 1.38 3.77 0.00 0.00 -0.35 -4.62 105.19 106.65 1jbe n GLY 102 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1jbe n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jbe s ALA 103 N -2.00 3.29 0.01 4.61 0.00 -0.02 -4.81 121.76 122.85 1jbe s ALA 103 Ca 0.00 1.46 0.11 0.00 0.00 0.00 0.00 51.96 53.53 1jbe s ALA 103 Cb 0.00 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 1jbe s ALA 103 CO 0.00 -1.14 1.36 0.77 0.00 0.00 0.00 175.76 176.76 1jbe h SER 104 N 2.46 0.00 -5.76 0.00 0.02 -1.02 -3.44 113.55 105.81 1jbe h SER 104 Ca -0.51 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 60.76 1jbe h SER 104 Cb 1.26 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.72 1jbe h SER 104 CO 0.62 0.77 0.84 -0.83 -1.14 0.00 0.00 176.83 177.09 1jbe s GLY 105 N -4.59 -0.20 0.18 -3.77 0.00 -1.16 -4.85 107.32 92.93 1jbe s GLY 105 Ca 0.02 0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.95 1jbe s GLY 105 CO 0.79 3.33 0.09 -2.52 0.00 0.00 0.00 173.10 174.78 1jbe s TYR 106 N -2.19 1.08 -0.23 1.90 1.13 -1.26 -1.18 117.35 116.60 1jbe s TYR 106 Ca 0.23 -1.28 -0.21 0.00 -1.41 0.00 0.00 57.07 54.40 1jbe s TYR 106 Cb 0.01 -0.57 0.06 0.00 -1.10 0.00 0.00 41.96 40.36 1jbe s TYR 106 CO -0.01 -0.54 0.60 0.54 -2.51 0.00 0.00 175.55 173.64 1jbe s VAL 107 N -4.05 0.00 -0.03 -3.49 0.11 0.56 -4.90 120.40 108.60 1jbe s VAL 107 Ca 0.32 -0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.14 1jbe s VAL 107 Cb 0.07 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1jbe s VAL 107 CO 0.08 -0.00 0.68 -0.69 -3.33 0.00 0.00 175.10 171.84 1jbe s VAL 108 N 0.31 4.96 0.23 2.04 1.01 -1.26 -1.32 120.40 126.37 1jbe s VAL 108 Ca -0.00 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 1jbe s VAL 108 Cb -0.04 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1jbe s VAL 108 CO 0.01 0.31 0.44 -1.59 0.00 0.00 0.00 175.10 174.27 1jbe s LYS 109 N 0.42 3.55 0.53 2.72 -2.85 -0.35 -4.17 119.74 119.61 1jbe s LYS 109 Ca 0.36 -0.24 -0.20 0.00 -1.00 0.00 0.00 55.97 54.89 1jbe s LYS 109 Cb -0.18 -2.78 -0.06 0.00 -2.06 0.00 0.00 37.83 32.75 1jbe s LYS 109 CO 0.19 0.34 1.13 -1.25 0.10 0.00 0.00 175.35 175.86 1jbe s PRO 110 N -3.41 3.40 0.10 1.78 0.04 -1.26 -4.67 135.00 130.98 1jbe s PRO 110 Ca 0.40 1.63 0.01 0.00 0.04 0.00 0.00 61.00 63.08 1jbe s PRO 110 Cb -0.11 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1jbe s PRO 110 CO 0.29 -0.82 -0.05 -0.59 0.04 0.00 0.00 177.00 175.88 1jbe s PHE 111 N -1.75 0.87 0.46 0.56 -0.12 -1.26 -5.17 117.98 111.58 1jbe s PHE 111 Ca 0.72 -0.96 0.06 0.00 -0.05 0.00 0.00 56.93 56.69 1jbe s PHE 111 Cb -0.24 -0.52 0.02 0.00 -0.63 0.00 0.00 43.02 41.65 1jbe s PHE 111 CO 0.28 -0.21 0.64 0.95 -0.05 0.00 0.00 175.22 176.83 1jbe s THR 112 N -3.69 2.88 0.23 -4.49 -4.23 -1.26 -4.97 115.64 100.12 1jbe s THR 112 Ca 0.13 -0.89 -0.07 0.00 -1.18 0.00 0.00 61.69 59.68 1jbe s THR 112 Cb 0.06 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 71.10 1jbe s THR 112 CO -0.04 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 175.90 1jbe h ALA 113 N 0.45 1.11 -0.63 3.99 0.00 -1.99 -1.01 119.26 121.17 1jbe h ALA 113 Ca -0.41 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1jbe h ALA 113 Cb 1.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1jbe h ALA 113 CO 0.47 0.33 0.25 0.00 0.00 0.00 0.00 179.25 180.31 1jbe h ALA 114 N 1.36 0.82 -0.35 0.00 0.00 -1.98 0.91 119.26 120.03 1jbe h ALA 114 Ca 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1jbe h ALA 114 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jbe h ALA 114 CO -0.13 0.44 0.15 1.15 0.00 0.00 0.00 179.25 180.87 1jbe h THR 115 N 0.89 1.17 -0.64 0.00 2.02 -1.88 -1.35 112.91 113.13 1jbe h THR 115 Ca 0.21 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1jbe h THR 115 Cb 0.21 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1jbe h THR 115 CO -0.02 0.19 0.35 0.25 0.37 0.00 0.00 175.52 176.66 1jbe h LEU 116 N 0.42 0.79 -0.55 2.58 5.85 -0.90 -1.24 115.31 122.27 1jbe h LEU 116 Ca 0.12 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1jbe h LEU 116 Cb 0.15 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1jbe h LEU 116 CO -0.01 0.66 0.33 -0.08 -0.34 0.00 0.00 178.44 178.99 1jbe h GLU 117 N 0.87 0.63 -0.69 1.25 4.81 -0.64 0.73 114.58 121.54 1jbe h GLU 117 Ca 0.23 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1jbe h GLU 117 Cb 0.03 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1jbe h GLU 117 CO -0.04 0.42 0.39 1.49 -0.73 0.00 0.00 179.01 180.54 1jbe h GLU 118 N 0.65 0.95 -0.12 1.92 4.81 -0.94 0.40 114.58 122.25 1jbe h GLU 118 Ca 0.22 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1jbe h GLU 118 Cb 0.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1jbe h GLU 118 CO -0.10 0.70 0.05 0.87 -0.73 0.00 0.00 179.01 179.81 1jbe h LYS 119 N 0.94 0.18 -0.54 1.92 1.79 -0.61 -0.26 116.57 119.98 1jbe h LYS 119 Ca 0.24 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 1jbe h LYS 119 Cb 0.02 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1jbe h LYS 119 CO -0.04 0.25 0.30 -0.07 -1.08 0.00 0.00 179.45 178.81 1jbe h LEU 120 N 0.06 0.68 -0.94 2.94 3.38 -0.70 -1.37 115.31 119.35 1jbe h LEU 120 Ca 0.04 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1jbe h LEU 120 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1jbe h LEU 120 CO -0.00 0.57 0.12 0.78 0.09 0.00 0.00 178.44 180.00 1jbe h ASN 121 N 0.73 0.85 -0.61 -0.43 2.35 -0.76 0.14 115.58 117.84 1jbe h ASN 121 Ca 0.19 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1jbe h ASN 121 Cb 0.04 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1jbe h ASN 121 CO -0.03 0.84 0.32 0.50 -1.65 0.00 0.00 177.43 177.41 1jbe h LYS 122 N 0.86 0.86 -0.22 0.81 3.64 -0.77 0.07 116.57 121.83 1jbe h LYS 122 Ca 0.18 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1jbe h LYS 122 Cb 0.33 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1jbe h LYS 122 CO 0.00 0.67 -0.06 0.82 -2.27 0.00 0.00 179.45 178.61 1jbe h ILE 123 N 0.83 1.29 -0.85 2.00 2.04 -0.78 -1.16 117.51 120.88 1jbe h ILE 123 Ca 0.21 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 65.04 1jbe h ILE 123 Cb 0.07 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1jbe h ILE 123 CO -0.03 0.32 0.55 -0.26 0.00 0.00 0.00 178.15 178.73 1jbe h PHE 124 N 0.15 1.04 -0.36 1.37 0.04 -0.56 0.01 116.94 118.62 1jbe h PHE 124 Ca 0.05 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 1jbe h PHE 124 Cb 0.52 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1jbe h PHE 124 CO 0.05 0.61 0.07 1.49 -0.60 0.00 0.00 178.31 179.94 1jbe h GLU 125 N 1.09 0.59 -0.95 1.51 4.81 -0.88 0.57 114.58 121.32 1jbe h GLU 125 Ca 0.33 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1jbe h GLU 125 Cb -0.03 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.22 1jbe h GLU 125 CO -0.10 0.65 0.61 -0.22 -0.73 0.00 0.00 179.01 179.22 1jbe h LYS 126 N 0.44 1.13 -0.01 1.92 3.64 -0.74 -2.65 116.57 120.30 1jbe h LYS 126 Ca 0.11 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1jbe h LYS 126 Cb 0.33 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1jbe h LYS 126 CO 0.00 0.75 -0.05 1.28 -2.27 0.00 0.00 179.45 179.16 1jbe n LEU 127 N -4.50 1.19 -1.53 5.20 4.77 -0.05 -4.93 117.00 117.14 1jbe n LEU 127 Ca 0.13 -0.37 -0.12 0.00 -0.03 0.00 0.00 56.01 55.62 1jbe n LEU 127 Cb 0.12 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1jbe n LEU 127 CO 0.34 0.20 -0.07 0.61 -1.33 0.00 0.00 177.39 177.14 1jbe n GLY 128 N 1.19 -0.03 0.89 -0.72 0.00 -0.24 -5.05 105.19 101.23 1jbe n GLY 128 Ca 0.18 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1jbe n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35