#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jab h ASP 13 N 0.00 -0.39 0.20 4.04 3.58 -2.04 -0.15 116.42 121.66 2jab h ASP 13 Ca 0.00 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.30 2jab h ASP 13 Cb 0.00 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2jab h ASP 13 CO 0.00 -0.13 -0.22 -0.07 -2.88 0.00 0.00 179.24 175.94 2jab h LEU 14 N -0.65 0.05 -0.39 2.28 3.38 -1.99 -2.14 115.31 115.86 2jab h LEU 14 Ca -0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2jab h LEU 14 Cb 0.46 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jab h LEU 14 CO 0.08 0.28 0.12 1.23 0.09 0.00 0.00 178.44 180.24 2jab h GLY 15 N 0.74 0.65 0.99 0.83 0.00 -1.81 0.11 103.07 104.58 2jab h GLY 15 Ca 0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2jab h GLY 15 CO 0.03 0.36 0.32 1.70 0.00 0.00 0.00 176.54 178.95 2jab h LYS 16 N 0.49 0.71 -0.82 4.80 3.64 -0.86 -0.76 116.57 123.76 2jab h LYS 16 Ca 0.13 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2jab h LYS 16 Cb 0.26 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2jab h LYS 16 CO -0.00 0.51 0.36 0.87 -2.27 0.00 0.00 179.45 178.92 2jab h LYS 17 N 0.70 1.21 -0.34 1.90 1.57 -1.07 -1.06 116.57 119.47 2jab h LYS 17 Ca 0.19 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2jab h LYS 17 Cb -0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2jab h LYS 17 CO -0.04 0.96 0.01 1.25 -0.57 0.00 0.00 179.45 181.06 2jab h LEU 18 N 1.19 0.58 -0.41 2.94 5.85 -0.52 -0.36 115.31 124.58 2jab h LEU 18 Ca 0.28 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2jab h LEU 18 Cb 0.17 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2jab h LEU 18 CO -0.03 0.74 0.13 -0.07 -0.34 0.00 0.00 178.44 178.86 2jab h LEU 19 N 0.41 0.11 -0.69 2.25 3.38 -0.89 -0.34 115.31 119.54 2jab h LEU 19 Ca 0.10 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2jab h LEU 19 Cb 0.43 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2jab h LEU 19 CO 0.02 0.09 0.44 -0.33 0.09 0.00 0.00 178.44 178.75 2jab h GLU 20 N 0.28 0.84 -0.32 1.13 5.08 -1.01 -0.62 114.58 119.95 2jab h GLU 20 Ca 0.20 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 2jab h GLU 20 Cb 0.20 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2jab h GLU 20 CO -0.22 0.56 -0.34 0.00 -1.00 0.00 0.00 179.01 178.01 2jab h ALA 21 N 1.28 0.79 -0.38 3.43 0.00 -0.63 -1.46 119.26 122.30 2jab h ALA 21 Ca 0.27 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2jab h ALA 21 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jab h ALA 21 CO -0.09 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.83 2jab h ALA 22 N 1.01 0.51 -0.88 0.00 0.00 -0.74 0.15 119.26 119.32 2jab h ALA 22 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2jab h ALA 22 Cb 0.87 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2jab h ALA 22 CO 0.08 0.26 0.52 0.00 0.00 0.00 0.00 179.25 180.11 2jab h ARG 23 N 0.48 1.19 -0.11 0.00 3.08 -0.94 -2.98 114.38 115.10 2jab h ARG 23 Ca 0.11 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jab h ARG 23 Cb 0.43 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2jab h ARG 23 CO 0.02 0.84 0.00 0.00 -1.07 0.00 0.00 179.97 179.75 2jab n ALA 24 N -2.41 2.53 -2.91 0.04 0.00 -0.57 -4.94 120.51 112.26 2jab n ALA 24 Ca 0.10 -0.52 -0.18 0.00 0.00 0.00 0.00 53.44 52.83 2jab n ALA 24 Cb 0.07 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.45 2jab n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jab n GLY 25 N 1.17 -0.27 3.44 0.00 0.00 -0.87 -4.96 105.19 103.71 2jab n GLY 25 Ca 0.17 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 2jab n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jab s GLN 26 N -5.51 4.00 0.14 1.61 -1.52 -0.01 -4.89 119.66 113.48 2jab s GLN 26 Ca 0.26 -2.52 -0.19 0.00 -1.95 0.00 0.00 55.36 50.96 2jab s GLN 26 Cb -0.12 -4.94 0.01 0.00 -0.22 0.00 0.00 33.01 27.74 2jab s GLN 26 CO 0.32 -1.68 1.71 -0.44 -0.25 0.00 0.00 175.29 174.96 2jab h ASP 27 N 7.40 -0.12 0.70 5.90 5.19 -1.93 -0.53 116.42 133.03 2jab h ASP 27 Ca 0.26 0.06 -0.13 0.00 -0.62 0.00 0.00 57.03 56.60 2jab h ASP 27 Cb 0.91 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 2jab h ASP 27 CO 1.17 -0.03 -0.62 0.44 -3.12 0.00 0.00 179.24 177.08 2jab h ASP 28 N 0.07 0.00 -0.40 6.45 3.32 -1.98 -1.82 116.42 122.06 2jab h ASP 28 Ca 0.12 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 2jab h ASP 28 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2jab h ASP 28 CO -0.21 0.62 -0.24 -0.08 -1.72 0.00 0.00 179.24 177.61 2jab h GLU 29 N 0.00 0.87 -0.68 3.56 4.57 -1.87 -1.07 114.58 119.95 2jab h GLU 29 Ca -0.01 -0.40 0.06 0.00 -1.18 0.00 0.00 59.36 57.83 2jab h GLU 29 Cb 1.14 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.66 2jab h GLU 29 CO 0.08 1.05 0.38 0.28 -1.18 0.00 0.00 179.01 179.62 2jab h VAL 30 N 0.68 0.97 -0.62 0.32 2.07 -0.77 -0.50 116.25 118.40 2jab h VAL 30 Ca 0.08 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2jab h VAL 30 Cb 0.81 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2jab h VAL 30 CO 0.07 0.13 0.35 0.03 0.02 0.00 0.00 177.57 178.17 2jab h ARG 31 N 0.71 0.86 -0.52 1.57 3.08 -1.07 -0.36 114.38 118.65 2jab h ARG 31 Ca 0.31 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 2jab h ARG 31 Cb 0.19 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2jab h ARG 31 CO -0.18 0.64 0.29 0.82 -1.07 0.00 0.00 179.97 180.47 2jab h ILE 32 N 0.85 1.18 -0.61 2.04 2.04 -0.81 -1.06 117.51 121.13 2jab h ILE 32 Ca 0.22 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 2jab h ILE 32 Cb 0.02 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2jab h ILE 32 CO -0.04 0.19 0.01 -0.07 0.00 0.00 0.00 178.15 178.24 2jab h LEU 33 N 0.70 1.05 -0.40 1.44 3.38 -0.66 -1.52 115.31 119.29 2jab h LEU 33 Ca 0.18 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2jab h LEU 33 Cb 0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2jab h LEU 33 CO -0.03 1.09 0.26 0.24 0.09 0.00 0.00 178.44 180.09 2jab h MET 34 N 0.98 0.53 -0.38 1.13 2.86 -0.80 -1.11 114.93 118.13 2jab h MET 34 Ca 0.18 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 2jab h MET 34 Cb 0.55 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2jab h MET 34 CO 0.03 0.36 0.26 0.00 1.06 0.00 0.00 176.91 178.62 2jab h ALA 35 N 1.13 1.96 -0.37 6.32 0.00 -0.83 -0.92 119.26 126.56 2jab h ALA 35 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jab h ALA 35 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jab h ALA 35 CO -0.03 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.28 2jab n ASN 36 N -4.48 2.49 0.00 0.00 3.02 -0.61 -4.94 115.26 110.74 2jab n ASN 36 Ca 0.04 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 2jab n ASN 36 Cb 0.22 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2jab n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jab n GLY 37 N 1.28 0.55 3.68 7.41 0.00 -0.35 -5.02 105.19 112.73 2jab n GLY 37 Ca 0.17 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 2jab n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jab n ALA 38 N 0.10 1.09 -1.57 4.61 0.00 -0.48 -4.86 120.51 119.39 2jab n ALA 38 Ca 0.00 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 2jab n ALA 38 Cb 0.08 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 2jab n ALA 38 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jab n ASP 39 N 0.79 2.81 0.31 0.00 2.03 -1.26 -4.84 116.55 116.38 2jab n ASP 39 Ca 0.05 -0.12 0.17 0.00 0.52 0.00 0.00 54.79 55.42 2jab n ASP 39 Cb 0.36 -1.57 0.99 0.00 -0.72 0.00 0.00 41.12 40.18 2jab n ASP 39 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2jab h VAL 40 N 7.41 0.36 -0.14 5.18 3.04 -1.89 -2.40 116.25 127.81 2jab h VAL 40 Ca -0.33 -0.07 -0.07 0.00 -1.01 0.00 0.00 66.70 65.22 2jab h VAL 40 Cb 1.25 1.05 -0.04 0.00 -2.01 0.00 0.00 31.29 31.54 2jab h VAL 40 CO 1.05 0.01 -0.30 0.59 -1.01 0.00 0.00 177.57 177.92 2jab n ASN 41 N -3.58 2.09 -4.69 3.17 3.02 -1.26 -4.40 115.26 109.61 2jab n ASN 41 Ca -0.03 -3.79 -0.40 0.00 -0.03 0.00 0.00 54.58 50.33 2jab n ASN 41 Cb 0.10 -0.57 0.02 0.00 -0.61 0.00 0.00 39.78 38.73 2jab n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jab n ALA 42 N -1.13 1.12 -2.94 5.41 0.00 -0.91 -4.91 120.51 117.15 2jab n ALA 42 Ca 0.24 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.55 2jab n ALA 42 Cb 0.82 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.89 2jab n ALA 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jab s LYS 43 N -2.40 3.39 0.77 0.00 1.02 -1.26 -4.03 119.74 117.22 2jab s LYS 43 Ca 0.65 -0.60 -0.13 0.00 0.02 0.00 0.00 55.97 55.91 2jab s LYS 43 Cb -0.48 -2.73 0.18 0.00 -0.52 0.00 0.00 37.83 34.28 2jab s LYS 43 CO 0.55 0.30 1.03 -0.40 -0.92 0.00 0.00 175.35 175.90 2jab n ASP 44 N 3.32 -0.00 0.21 2.83 5.68 -0.44 -4.88 116.55 123.26 2jab n ASP 44 Ca -0.18 -1.36 0.15 0.00 -0.50 0.00 0.00 54.79 52.90 2jab n ASP 44 Cb 0.53 -0.79 0.59 0.00 -1.14 0.00 0.00 41.12 40.30 2jab n ASP 44 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2jab h GLU 45 N 0.00 0.00 -0.00 0.11 4.11 -2.00 -0.19 114.58 116.60 2jab h GLU 45 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 2jab h GLU 45 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2jab h GLU 45 CO 0.23 0.00 -0.01 0.66 0.07 0.00 0.00 179.01 179.96 2jab n TYR 46 N -2.71 0.00 -1.08 2.06 4.02 -1.26 -4.92 117.16 113.28 2jab n TYR 46 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.88 2jab n TYR 46 Cb 0.28 -0.04 -0.01 0.00 -0.02 0.00 0.00 39.34 39.55 2jab n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jab n GLY 47 N 1.09 0.59 3.79 2.72 0.00 -0.08 -4.88 105.19 108.42 2jab n GLY 47 Ca 0.21 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2jab n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jab s LEU 48 N -0.60 3.87 0.28 0.99 1.43 -1.26 -4.80 118.68 118.59 2jab s LEU 48 Ca 0.00 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2jab s LEU 48 Cb 0.00 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 2jab s LEU 48 CO 0.00 0.17 0.37 0.42 0.23 0.00 0.00 176.35 177.54 2jab s THR 49 N -1.40 4.69 0.27 5.49 -4.23 -1.26 -1.33 115.64 117.87 2jab s THR 49 Ca 0.30 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.74 2jab s THR 49 Cb -0.12 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.37 2jab s THR 49 CO 0.23 -0.27 1.86 -0.65 -0.54 0.00 0.00 174.62 175.25 2jab h PRO 50 N 1.13 1.06 -0.81 3.99 0.11 -1.77 -1.82 132.00 133.90 2jab h PRO 50 Ca -0.49 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.59 2jab h PRO 50 Cb 1.24 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 32.06 2jab h PRO 50 CO 0.58 0.70 0.52 1.25 -0.21 0.00 0.00 178.00 180.84 2jab h LEU 51 N 1.10 0.86 -0.29 2.35 5.85 -1.95 -0.24 115.31 122.98 2jab h LEU 51 Ca 0.46 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.13 2jab h LEU 51 Cb 0.32 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2jab h LEU 51 CO -0.21 0.59 0.01 0.22 -0.34 0.00 0.00 178.44 178.70 2jab h TYR 52 N 1.01 0.56 -0.43 1.25 5.03 -1.77 -1.23 116.97 121.39 2jab h TYR 52 Ca 0.32 -0.09 -0.11 0.00 2.58 0.00 0.00 58.73 61.42 2jab h TYR 52 Cb 0.00 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.12 2jab h TYR 52 CO -0.03 0.65 -0.19 -0.07 -1.32 0.00 0.00 178.16 177.20 2jab h LEU 53 N 0.31 0.86 -0.39 2.82 3.38 -1.03 0.21 115.31 121.47 2jab h LEU 53 Ca 0.08 -0.30 -0.17 0.00 0.09 0.00 0.00 57.88 57.59 2jab h LEU 53 Cb 0.42 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jab h LEU 53 CO 0.01 1.03 -0.44 0.00 0.09 0.00 0.00 178.44 179.13 2jab h ALA 54 N 1.04 0.57 -0.41 1.53 0.00 -0.99 -2.68 119.26 118.32 2jab h ALA 54 Ca 0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jab h ALA 54 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2jab h ALA 54 CO 0.05 0.68 0.24 1.15 0.00 0.00 0.00 179.25 181.38 2jab h THR 55 N 0.70 1.13 -0.96 0.00 2.02 -0.94 -1.00 112.91 113.87 2jab h THR 55 Ca 0.04 -0.30 0.16 0.00 0.77 0.00 0.00 66.41 67.08 2jab h THR 55 Cb 1.03 0.60 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 2jab h THR 55 CO 0.10 0.13 0.60 0.00 0.37 0.00 0.00 175.52 176.73 2jab h ALA 56 N 1.11 1.75 -0.01 6.16 0.00 -0.79 -0.96 119.26 126.51 2jab h ALA 56 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jab h ALA 56 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jab h ALA 56 CO -0.03 -0.03 -0.20 0.72 0.00 0.00 0.00 179.25 179.71 2jab n HIS 57 N -4.62 0.00 -1.99 0.00 8.25 -1.01 -4.96 115.22 110.89 2jab n HIS 57 Ca 0.20 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.56 2jab n HIS 57 Cb 0.49 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 2jab n HIS 57 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jab n GLY 58 N 1.30 0.23 3.52 -1.41 0.00 -0.37 -4.94 105.19 103.52 2jab n GLY 58 Ca 0.14 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2jab n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jab s HIS 59 N -2.48 3.07 0.13 1.61 4.02 -0.45 -4.86 115.29 116.34 2jab s HIS 59 Ca 0.00 -1.72 -0.19 0.00 1.02 0.00 0.00 55.06 54.17 2jab s HIS 59 Cb 0.00 -4.53 -0.04 0.00 -1.02 0.00 0.00 32.58 26.98 2jab s HIS 59 CO 0.00 -1.63 1.78 1.25 1.02 0.00 0.00 174.74 177.16 2jab h LEU 60 N 11.27 0.26 -0.73 0.89 5.85 -1.92 -0.05 115.31 130.88 2jab h LEU 60 Ca 0.34 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.07 2jab h LEU 60 Cb 0.90 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2jab h LEU 60 CO 1.34 0.19 0.48 -0.33 -0.34 0.00 0.00 178.44 179.78 2jab h GLU 61 N 0.32 0.96 -0.51 1.25 5.08 -1.99 -0.22 114.58 119.46 2jab h GLU 61 Ca 0.10 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2jab h GLU 61 Cb -0.02 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2jab h GLU 61 CO -0.03 0.63 0.13 0.82 -1.00 0.00 0.00 179.01 179.56 2jab h ILE 62 N 0.99 1.24 -0.31 3.13 2.04 -1.88 -1.92 117.51 120.80 2jab h ILE 62 Ca 0.27 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 65.34 2jab h ILE 62 Cb -0.11 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 2jab h ILE 62 CO -0.06 0.31 -0.03 0.58 0.00 0.00 0.00 178.15 178.95 2jab h VAL 63 N 0.71 0.74 -0.14 1.67 2.07 -0.46 0.24 116.25 121.09 2jab h VAL 63 Ca 0.16 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.68 2jab h VAL 63 Cb 0.33 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2jab h VAL 63 CO 0.00 0.01 0.01 -0.33 0.02 0.00 0.00 177.57 177.28 2jab h GLU 64 N 0.05 0.06 -0.48 1.57 5.08 -0.92 -0.25 114.58 119.70 2jab h GLU 64 Ca 0.15 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2jab h GLU 64 Cb 0.22 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2jab h GLU 64 CO -0.28 0.04 0.27 0.28 -1.00 0.00 0.00 179.01 178.32 2jab h VAL 65 N 0.06 1.16 -0.12 3.13 2.07 -1.04 -1.30 116.25 120.22 2jab h VAL 65 Ca 0.06 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2jab h VAL 65 Cb 0.07 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2jab h VAL 65 CO -0.09 0.17 0.03 -0.07 0.02 0.00 0.00 177.57 177.63 2jab h LEU 66 N 0.63 0.03 -0.75 2.57 3.38 -0.68 -2.42 115.31 118.07 2jab h LEU 66 Ca 0.17 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.21 2jab h LEU 66 Cb 0.04 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2jab h LEU 66 CO -0.03 0.03 0.44 -0.07 0.09 0.00 0.00 178.44 178.90 2jab h LEU 67 N 0.09 0.67 -0.77 1.67 3.38 -0.76 -1.47 115.31 118.12 2jab h LEU 67 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jab h LEU 67 Cb 0.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jab h LEU 67 CO -0.06 0.43 0.00 0.11 0.09 0.00 0.00 178.44 179.01 2jab h LYS 68 N 0.80 0.00 -0.43 1.13 1.57 -1.09 -2.05 116.57 116.51 2jab h LYS 68 Ca 0.33 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.98 2jab h LYS 68 Cb 0.18 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 2jab h LYS 68 CO -0.18 0.00 0.06 0.09 -0.57 0.00 0.00 179.45 178.86 2jab n ASN 69 N -2.35 3.61 0.00 0.86 3.02 -0.74 -4.97 115.26 114.69 2jab n ASN 69 Ca 0.02 -3.34 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 2jab n ASN 69 Cb 0.25 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 2jab n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jab n GLY 70 N -0.68 0.87 3.68 7.41 0.00 -0.77 -4.85 105.19 110.85 2jab n GLY 70 Ca 0.31 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2jab n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jab n ALA 71 N -1.28 1.01 -2.60 4.61 0.00 -0.63 -4.89 120.51 116.73 2jab n ALA 71 Ca 0.00 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 2jab n ALA 71 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 2jab n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jab s ASP 72 N -0.44 6.41 0.21 0.00 2.15 -1.26 -4.82 116.67 118.92 2jab s ASP 72 Ca 0.58 -0.06 0.21 0.00 0.43 0.00 0.00 52.55 53.71 2jab s ASP 72 Cb -0.57 -2.51 0.91 0.00 -0.30 0.00 0.00 42.92 40.45 2jab s ASP 72 CO 0.60 -1.39 1.65 1.33 -0.17 0.00 0.00 175.17 177.19 2jab n VAL 73 N 6.50 0.89 1.15 1.11 0.24 -1.26 -2.69 118.33 124.27 2jab n VAL 73 Ca 0.06 0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.75 2jab n VAL 73 Cb 0.48 -1.17 0.20 0.00 -1.47 0.00 0.00 33.84 31.89 2jab n VAL 73 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2jab n ASN 74 N -2.10 1.91 -4.73 -1.34 3.02 -1.26 -4.35 115.26 106.41 2jab n ASN 74 Ca 0.02 -1.47 -0.42 0.00 -0.03 0.00 0.00 54.58 52.68 2jab n ASN 74 Cb 0.20 0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.57 2jab n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jab n ALA 75 N 0.17 1.76 -2.44 5.41 0.00 -1.09 -4.92 120.51 119.40 2jab n ALA 75 Ca 0.13 0.35 -0.24 0.00 0.00 0.00 0.00 53.44 53.68 2jab n ALA 75 Cb 0.45 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 2jab n ALA 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jab s VAL 76 N -1.11 2.06 0.00 0.00 -7.23 -1.26 -4.17 120.40 108.70 2jab s VAL 76 Ca 0.55 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2jab s VAL 76 Cb -0.53 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2jab s VAL 76 CO 0.63 -0.25 0.00 -0.90 -0.31 0.00 0.00 175.10 174.27 2jab n ASP 77 N 0.22 0.00 0.25 4.85 5.68 -0.70 -4.91 116.55 121.94 2jab n ASP 77 Ca -0.12 -0.59 0.17 0.00 -0.50 0.00 0.00 54.79 53.75 2jab n ASP 77 Cb 0.57 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.26 2jab n ASP 77 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jab h ALA 78 N -1.23 1.00 -0.52 2.12 0.00 -1.91 -2.62 119.26 116.10 2jab h ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jab h ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jab h ALA 78 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 2jab n ILE 79 N -2.87 1.02 -0.91 0.00 -5.35 -1.26 -4.97 119.36 105.01 2jab n ILE 79 Ca 0.00 -1.01 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 2jab n ILE 79 Cb 0.25 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 2jab n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jab n GLY 80 N 1.01 0.49 3.67 3.28 0.00 -0.99 -0.67 105.19 111.99 2jab n GLY 80 Ca 0.17 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 2jab n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jab s PHE 81 N -2.00 2.83 0.75 1.61 0.40 -1.26 -4.12 117.98 116.19 2jab s PHE 81 Ca 0.00 0.94 -0.11 0.00 -0.60 0.00 0.00 56.93 57.16 2jab s PHE 81 Cb 0.00 -3.55 0.05 0.00 0.51 0.00 0.00 43.02 40.03 2jab s PHE 81 CO 0.00 -1.97 1.12 0.95 0.70 0.00 0.00 175.22 176.02 2jab s THR 82 N 3.08 2.65 0.45 0.64 -4.23 -1.26 -1.72 115.64 115.24 2jab s THR 82 Ca 0.58 0.14 0.18 0.00 -1.18 0.00 0.00 61.69 61.41 2jab s THR 82 Cb -0.25 -3.19 0.37 0.00 1.34 0.00 0.00 72.50 70.76 2jab s THR 82 CO 0.20 -0.25 1.93 -0.65 -0.54 0.00 0.00 174.62 175.31 2jab h PRO 83 N -0.81 0.33 -0.75 3.99 0.11 -1.76 -1.28 132.00 131.83 2jab h PRO 83 Ca -0.45 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2jab h PRO 83 Cb 1.30 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2jab h PRO 83 CO 0.64 0.22 0.28 1.25 -0.21 0.00 0.00 178.00 180.18 2jab h LEU 84 N 0.34 1.05 -0.55 2.35 5.85 -1.94 0.33 115.31 122.74 2jab h LEU 84 Ca 0.35 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2jab h LEU 84 Cb 0.90 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2jab h LEU 84 CO -0.10 0.95 0.36 0.45 -0.34 0.00 0.00 178.44 179.76 2jab h HIS 85 N 1.09 0.68 -0.59 1.25 3.86 -1.68 -1.19 115.15 118.56 2jab h HIS 85 Ca 0.25 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.45 2jab h HIS 85 Cb 0.24 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 2jab h HIS 85 CO 0.02 0.42 0.29 1.25 0.86 0.00 0.00 177.93 180.77 2jab h LEU 86 N 0.73 0.77 -1.18 2.43 5.85 -0.73 -0.74 115.31 122.44 2jab h LEU 86 Ca 0.21 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2jab h LEU 86 Cb -0.06 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 2jab h LEU 86 CO -0.05 0.68 0.10 0.00 -0.34 0.00 0.00 178.44 178.82 2jab h ALA 87 N 1.13 1.34 -0.28 1.25 0.00 -0.65 -0.41 119.26 121.63 2jab h ALA 87 Ca 0.21 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2jab h ALA 87 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jab h ALA 87 CO -0.03 0.47 -0.32 0.00 0.00 0.00 0.00 179.25 179.38 2jab h ALA 88 N 1.46 0.92 0.16 0.00 0.00 -0.77 0.26 119.26 121.30 2jab h ALA 88 Ca 0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2jab h ALA 88 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jab h ALA 88 CO -0.00 0.62 -0.08 0.35 0.00 0.00 0.00 179.25 180.14 2jab h PHE 89 N 0.51 -0.21 0.00 0.00 3.57 -0.61 -3.24 116.94 116.96 2jab h PHE 89 Ca 0.06 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2jab h PHE 89 Cb 0.80 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2jab h PHE 89 CO 0.03 0.17 0.00 -0.84 -2.23 0.00 0.00 178.31 175.44 2jab h ILE 90 N -0.63 0.00 -0.40 1.41 3.07 -1.06 -3.48 117.51 116.42 2jab h ILE 90 Ca -0.02 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.74 2jab h ILE 90 Cb 0.47 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 2jab h ILE 90 CO 0.04 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.75 2jab n GLY 91 N 0.66 0.88 3.34 0.16 0.00 0.82 -5.01 105.19 106.04 2jab n GLY 91 Ca 0.03 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 45.01 2jab n GLY 91 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jab s HIS 92 N -2.40 3.19 0.05 1.61 5.04 -0.52 -4.94 115.29 117.32 2jab s HIS 92 Ca 0.00 -1.12 -0.27 0.00 -1.54 0.00 0.00 55.06 52.13 2jab s HIS 92 Cb 0.00 -3.70 -0.17 0.00 0.04 0.00 0.00 32.58 28.75 2jab s HIS 92 CO 0.00 -1.03 1.51 1.25 -2.34 0.00 0.00 174.74 174.13 2jab h LEU 93 N 9.10 -0.40 -0.94 8.88 5.85 -1.95 -1.64 115.31 134.22 2jab h LEU 93 Ca -0.29 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2jab h LEU 93 Cb 1.10 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 2jab h LEU 93 CO 1.02 -0.18 0.54 -0.33 -0.34 0.00 0.00 178.44 179.15 2jab h GLU 94 N -0.60 1.28 -0.47 1.25 5.08 -1.99 -0.06 114.58 119.06 2jab h GLU 94 Ca -0.05 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 2jab h GLU 94 Cb 0.44 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2jab h GLU 94 CO 0.08 0.91 0.04 0.82 -1.00 0.00 0.00 179.01 179.86 2jab h ILE 95 N 1.30 1.26 -0.54 3.13 2.04 -1.95 -1.59 117.51 121.15 2jab h ILE 95 Ca 0.33 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.26 2jab h ILE 95 Cb -0.02 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2jab h ILE 95 CO -0.06 0.34 0.27 0.00 0.00 0.00 0.00 178.15 178.70 2jab h ALA 96 N 0.94 0.70 -0.52 1.87 0.00 -0.75 -0.65 119.26 120.84 2jab h ALA 96 Ca 0.14 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2jab h ALA 96 Cb 0.44 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2jab h ALA 96 CO 0.02 -0.09 0.29 0.93 0.00 0.00 0.00 179.25 180.40 2jab h GLU 97 N 0.51 0.56 -0.14 0.00 5.08 -0.76 -0.94 114.58 118.89 2jab h GLU 97 Ca 0.25 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 2jab h GLU 97 Cb 0.18 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2jab h GLU 97 CO -0.18 0.37 -0.54 -0.24 -1.00 0.00 0.00 179.01 177.42 2jab h VAL 98 N 0.58 1.34 -0.44 3.13 3.04 -1.02 -0.59 116.25 122.29 2jab h VAL 98 Ca 0.22 -1.80 -0.01 0.00 -1.01 0.00 0.00 66.70 64.10 2jab h VAL 98 Cb 0.07 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.15 2jab h VAL 98 CO -0.12 0.55 0.25 -0.07 -1.01 0.00 0.00 177.57 177.17 2jab h LEU 99 N 0.32 0.55 -1.04 3.16 3.38 -0.87 -1.80 115.31 119.00 2jab h LEU 99 Ca 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2jab h LEU 99 Cb 1.04 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2jab h LEU 99 CO 0.09 0.47 0.50 -0.07 0.09 0.00 0.00 178.44 179.52 2jab h LEU 100 N 0.58 1.03 -1.66 1.67 3.38 -0.99 -0.82 115.31 118.51 2jab h LEU 100 Ca 0.16 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2jab h LEU 100 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2jab h LEU 100 CO -0.03 0.80 -0.18 0.50 0.09 0.00 0.00 178.44 179.63 2jab h LYS 101 N 1.18 0.00 -0.59 1.13 3.64 -0.60 -1.96 116.57 119.36 2jab h LYS 101 Ca 0.30 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 2jab h LYS 101 Cb -0.03 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2jab h LYS 101 CO -0.06 0.18 0.07 0.72 -2.27 0.00 0.00 179.45 178.09 2jab n HIS 102 N -4.30 2.08 -0.15 1.91 8.25 -0.72 -4.94 115.22 117.35 2jab n HIS 102 Ca -0.02 -0.87 0.00 0.00 -0.26 0.00 0.00 57.72 56.56 2jab n HIS 102 Cb 0.24 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.81 2jab n HIS 102 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jab n GLY 103 N 0.31 0.92 3.69 -1.41 0.00 -0.74 -4.91 105.19 103.06 2jab n GLY 103 Ca 0.31 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 2jab n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jab n ALA 104 N -1.56 1.09 -2.53 4.61 0.00 -0.36 -4.95 120.51 116.82 2jab n ALA 104 Ca 0.00 0.22 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 2jab n ALA 104 Cb 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 2jab n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jab s ASP 105 N -0.67 6.15 0.57 0.00 -1.08 -1.26 -4.75 116.67 115.63 2jab s ASP 105 Ca 0.64 -0.39 0.35 0.00 -0.52 0.00 0.00 52.55 52.62 2jab s ASP 105 Cb -0.50 -2.18 1.69 0.00 -1.46 0.00 0.00 42.92 40.47 2jab s ASP 105 CO 0.56 -0.35 2.12 -0.37 0.52 0.00 0.00 175.17 177.64 2jab h VAL 106 N 5.56 0.19 -0.00 1.11 -1.51 -1.92 -2.88 116.25 116.80 2jab h VAL 106 Ca -0.29 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2jab h VAL 106 Cb 1.14 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2jab h VAL 106 CO 0.69 0.04 -0.41 0.59 -1.23 0.00 0.00 177.57 177.25 2jab n ASN 107 N -3.26 0.48 -4.69 4.19 3.02 -1.26 -4.36 115.26 109.38 2jab n ASN 107 Ca -0.01 -0.22 -0.44 0.00 -0.03 0.00 0.00 54.58 53.88 2jab n ASN 107 Cb 0.22 0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 2jab n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jab n ALA 108 N -1.42 2.05 -2.69 5.41 0.00 -1.09 -4.89 120.51 117.88 2jab n ALA 108 Ca 0.06 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.57 2jab n ALA 108 Cb 0.34 -2.44 -0.10 0.00 0.00 0.00 0.00 19.45 17.24 2jab n ALA 108 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2jab s GLN 109 N 1.20 3.03 0.32 0.00 -0.21 -1.26 -4.15 119.66 118.58 2jab s GLN 109 Ca 0.78 -0.43 -0.05 0.00 0.02 0.00 0.00 55.36 55.67 2jab s GLN 109 Cb -0.59 -2.79 0.08 0.00 1.00 0.00 0.00 33.01 30.71 2jab s GLN 109 CO 0.36 0.65 0.33 -0.40 -2.12 0.00 0.00 175.29 174.11 2jab n ASP 110 N 2.29 -0.82 0.07 5.90 5.68 0.30 -4.82 116.55 125.15 2jab n ASP 110 Ca -0.18 -0.85 0.18 0.00 -0.50 0.00 0.00 54.79 53.44 2jab n ASP 110 Cb 0.53 -0.28 0.71 0.00 -1.14 0.00 0.00 41.12 40.95 2jab n ASP 110 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2jab h LYS 111 N 0.00 0.00 -0.33 0.11 3.64 -1.15 -1.71 116.57 117.13 2jab h LYS 111 Ca -0.12 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2jab h LYS 111 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2jab h LYS 111 CO 0.08 0.00 0.01 1.19 -2.27 0.00 0.00 179.45 178.46 2jab n PHE 112 N -4.25 1.16 -0.78 1.91 3.72 -1.26 -4.95 117.46 113.01 2jab n PHE 112 Ca 0.07 -0.91 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 2jab n PHE 112 Cb 0.50 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2jab n PHE 112 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jab n GLY 113 N -0.38 0.63 3.76 1.37 0.00 -0.64 -5.04 105.19 104.88 2jab n GLY 113 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 2jab n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jab s LYS 114 N -0.22 4.32 0.61 1.61 -0.14 -1.26 -4.70 119.74 119.97 2jab s LYS 114 Ca 0.00 0.72 -0.04 0.00 -1.36 0.00 0.00 55.97 55.30 2jab s LYS 114 Cb 0.00 -3.35 0.03 0.00 -1.68 0.00 0.00 37.83 32.83 2jab s LYS 114 CO 0.00 0.33 0.89 0.95 -0.76 0.00 0.00 175.35 176.77 2jab s THR 115 N -0.07 2.91 0.28 2.17 -4.23 -1.26 -0.54 115.64 114.90 2jab s THR 115 Ca 0.31 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 2jab s THR 115 Cb -0.18 -3.17 0.28 0.00 1.34 0.00 0.00 72.50 70.77 2jab s THR 115 CO 0.17 -0.16 1.83 0.00 -0.54 0.00 0.00 174.62 175.92 2jab h ALA 116 N -0.23 1.51 -0.19 3.99 0.00 -1.76 -0.96 119.26 121.63 2jab h ALA 116 Ca -0.44 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.54 2jab h ALA 116 Cb 1.29 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2jab h ALA 116 CO 0.58 0.22 -0.12 0.35 0.00 0.00 0.00 179.25 180.28 2jab h PHE 117 N 0.99 -0.29 -0.51 0.00 3.57 -1.83 -0.28 116.94 118.59 2jab h PHE 117 Ca 0.50 0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.10 2jab h PHE 117 Cb 0.50 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 2jab h PHE 117 CO -0.01 -0.18 0.15 -0.44 -2.23 0.00 0.00 178.31 175.61 2jab h ASP 118 N -0.12 0.12 -0.51 0.41 3.32 -1.67 -1.70 116.42 116.27 2jab h ASP 118 Ca 0.11 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.27 2jab h ASP 118 Cb 0.28 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2jab h ASP 118 CO -0.26 0.09 0.26 0.40 -1.72 0.00 0.00 179.24 178.02 2jab h ILE 119 N 0.31 0.97 -0.64 0.35 1.08 -0.66 -0.98 117.51 117.94 2jab h ILE 119 Ca 0.25 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.53 2jab h ILE 119 Cb 0.30 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 2jab h ILE 119 CO -0.28 0.09 0.33 0.77 -0.69 0.00 0.00 178.15 178.37 2jab h SER 120 N 0.51 0.82 -0.42 1.72 4.64 -0.51 -1.57 113.55 118.74 2jab h SER 120 Ca 0.22 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2jab h SER 120 Cb 0.12 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 2jab h SER 120 CO -0.15 0.70 0.26 0.40 -0.87 0.00 0.00 176.83 177.17 2jab h ILE 121 N 0.88 1.08 0.00 0.95 1.08 -1.15 0.13 117.51 120.47 2jab h ILE 121 Ca 0.22 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2jab h ILE 121 Cb 0.08 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.32 2jab h ILE 121 CO -0.03 0.10 -0.10 1.23 -0.69 0.00 0.00 178.15 178.65 2jab h GLY 122 N 0.53 0.00 -2.04 5.37 0.00 -0.72 -3.14 103.07 103.07 2jab h GLY 122 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2jab h GLY 122 CO -0.05 0.00 0.01 0.70 0.00 0.00 0.00 176.54 177.20 2jab n ASN 123 N -3.27 4.11 -1.70 0.19 3.02 -0.63 -4.97 115.26 112.02 2jab n ASN 123 Ca 0.00 -3.08 -0.16 0.00 -0.03 0.00 0.00 54.58 51.32 2jab n ASN 123 Cb 0.35 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 2jab n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jab n GLY 124 N -0.38 -0.02 2.73 7.41 0.00 -1.09 -4.93 105.19 108.92 2jab n GLY 124 Ca 0.24 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2jab n GLY 124 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jab n ASN 125 N -0.91 6.58 -0.17 1.61 5.03 0.43 -4.85 115.26 122.97 2jab n ASN 125 Ca -0.18 -3.70 0.14 0.00 0.87 0.00 0.00 54.58 51.71 2jab n ASN 125 Cb 0.62 -0.99 0.49 0.00 -1.02 0.00 0.00 39.78 38.88 2jab n ASN 125 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2jab h GLU 126 N 3.76 0.44 -0.41 3.52 4.39 -1.92 -1.07 114.58 123.28 2jab h GLU 126 Ca 0.43 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 60.04 2jab h GLU 126 Cb 0.36 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2jab h GLU 126 CO 1.10 0.29 -0.00 0.38 -1.16 0.00 0.00 179.01 179.62 2jab h ASP 127 N 0.45 0.63 -0.15 1.42 2.03 -1.95 -2.67 116.42 116.18 2jab h ASP 127 Ca 0.37 -0.14 -0.16 0.00 -0.73 0.00 0.00 57.03 56.37 2jab h ASP 127 Cb 0.78 -0.17 0.01 0.00 -0.83 0.00 0.00 39.33 39.12 2jab h ASP 127 CO -0.12 0.70 -0.53 -0.07 -1.03 0.00 0.00 179.24 178.19 2jab h LEU 128 N 0.63 0.73 -1.05 0.15 -0.00 -1.61 -3.26 115.31 110.90 2jab h LEU 128 Ca 0.13 -0.61 0.21 0.00 -0.00 0.00 0.00 57.88 57.61 2jab h LEU 128 Cb 0.40 -0.21 -0.11 0.00 -0.00 0.00 0.00 40.66 40.73 2jab h LEU 128 CO 0.01 1.21 0.61 0.00 -0.00 0.00 0.00 178.44 180.28 2jab h ALA 129 N 0.54 1.75 -0.06 1.53 0.00 -1.05 -0.67 119.26 121.31 2jab h ALA 129 Ca -0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jab h ALA 129 Cb 1.16 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jab h ALA 129 CO 0.11 -0.15 -0.04 0.93 0.00 0.00 0.00 179.25 180.10 2jab h GLU 130 N 0.69 0.08 -0.16 0.00 5.08 -1.52 -2.22 114.58 116.53 2jab h GLU 130 Ca 0.59 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.94 2jab h GLU 130 Cb 1.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2jab h GLU 130 CO -0.39 0.13 0.00 0.44 -1.00 0.00 0.00 179.01 178.19 2jab n ILE 131 N -4.44 0.20 0.48 3.13 -5.35 -0.29 -4.49 119.36 108.60 2jab n ILE 131 Ca -0.02 -0.60 0.09 0.00 -0.27 0.00 0.00 62.75 61.95 2jab n ILE 131 Cb 0.15 1.25 0.12 0.00 -1.74 0.00 0.00 39.64 39.42 2jab n ILE 131 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2jab n LEU 132 N 1.25 2.73 0.00 7.28 4.77 -0.84 -4.16 117.00 128.03 2jab n LEU 132 Ca 0.14 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 2jab n LEU 132 Cb 0.54 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2jab n LEU 132 CO 0.14 0.54 0.00 0.00 -1.33 0.00 0.00 177.39 176.74 2jab n GLN 133 N 1.03 0.00 0.34 3.23 10.64 -1.23 -4.43 117.38 126.96 2jab n GLN 133 Ca 0.12 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.12 2jab n GLN 133 Cb 0.47 -0.09 -0.09 0.00 -0.86 0.00 0.00 30.24 29.67 2jab n GLN 133 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2jab h LYS 134 N 0.00 -0.82 0.00 2.61 1.57 -1.85 -3.51 116.57 114.57 2jab h LYS 134 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2jab h LYS 134 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2jab h LYS 134 CO 0.00 -0.55 0.00 1.28 -0.57 0.00 0.00 179.45 179.61