#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 -0.43 0.42 4.04 1.82 -2.03 -2.13 116.42 118.11 2jab h ASP 13 Ca 0.00 -0.14 -0.06 0.00 -0.39 0.00 0.00 57.03 56.45 2jab h ASP 13 Cb 0.00 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 2jab h ASP 13 CO 0.00 -0.02 -0.27 -0.07 -1.61 0.00 0.00 179.24 177.27 2jab h LEU 14 N -0.93 0.00 -0.47 2.28 3.38 -1.99 -2.60 115.31 114.99 2jab h LEU 14 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2jab h LEU 14 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2jab h LEU 14 CO 0.09 0.27 0.19 1.23 0.09 0.00 0.00 178.44 180.30 2jab h GLY 15 N 1.10 0.75 0.96 0.83 0.00 -1.86 0.11 103.07 104.96 2jab h GLY 15 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.93 2jab h GLY 15 CO 0.03 0.38 0.14 1.70 0.00 0.00 0.00 176.54 178.80 2jab h LYS 16 N 0.61 0.28 -0.99 4.80 3.64 -1.17 -0.14 116.57 123.59 2jab h LYS 16 Ca 0.16 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2jab h LYS 16 Cb 0.19 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 2jab h LYS 16 CO -0.01 0.18 0.65 0.87 -2.27 0.00 0.00 179.45 178.87 2jab h LYS 17 N 0.29 1.20 -0.45 1.90 1.57 -1.26 -1.10 116.57 118.71 2jab h LYS 17 Ca 0.09 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2jab h LYS 17 Cb -0.01 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 2jab h LYS 17 CO -0.04 0.79 0.05 1.25 -0.57 0.00 0.00 179.45 180.94 2jab h LEU 18 N 1.23 0.74 -0.67 2.94 5.85 -0.32 -0.09 115.31 124.99 2jab h LEU 18 Ca 0.40 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2jab h LEU 18 Cb 0.05 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2jab h LEU 18 CO -0.14 0.83 0.44 -0.07 -0.34 0.00 0.00 178.44 179.17 2jab h LEU 19 N 0.62 0.77 -0.67 2.25 3.38 -0.65 -0.63 115.31 120.37 2jab h LEU 19 Ca 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2jab h LEU 19 Cb 0.42 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2jab h LEU 19 CO 0.01 0.56 0.29 -0.33 0.09 0.00 0.00 178.44 179.06 2jab h GLU 20 N 0.91 0.99 -0.23 1.13 5.08 -0.99 -1.24 114.58 120.22 2jab h GLU 20 Ca 0.25 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2jab h GLU 20 Cb -0.10 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2jab h GLU 20 CO -0.05 0.81 -0.49 0.00 -1.00 0.00 0.00 179.01 178.27 2jab h ALA 21 N 1.13 0.71 -0.27 3.43 0.00 -0.49 -1.94 119.26 121.83 2jab h ALA 21 Ca 0.23 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2jab h ALA 21 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jab h ALA 21 CO -0.02 0.68 0.08 0.00 0.00 0.00 0.00 179.25 179.98 2jab h ALA 22 N 0.96 0.35 -0.92 0.00 0.00 -0.97 0.09 119.26 118.78 2jab h ALA 22 Ca 0.02 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2jab h ALA 22 Cb 1.04 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2jab h ALA 22 CO 0.10 -0.01 0.59 0.00 0.00 0.00 0.00 179.25 179.93 2jab h ARG 23 N 0.27 0.99 -0.04 0.00 3.08 -1.09 -2.89 114.38 114.70 2jab h ARG 23 Ca 0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2jab h ARG 23 Cb 0.25 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2jab h ARG 23 CO -0.00 0.66 0.00 0.00 -1.07 0.00 0.00 179.97 179.55 2jab n ALA 24 N -2.39 2.52 -2.45 0.04 0.00 -0.74 -4.95 120.51 112.52 2jab n ALA 24 Ca 0.14 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 2jab n ALA 24 Cb 0.22 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 1.26 -0.12 3.48 0.00 0.00 -0.67 -4.95 105.19 104.20 2jab n GLY 25 Ca 0.17 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.90 3.99 0.16 1.61 -1.52 -0.07 -4.87 119.66 114.06 2jab s GLN 26 Ca 0.08 -2.35 -0.18 0.00 -1.95 0.00 0.00 55.36 50.96 2jab s GLN 26 Cb -0.04 -5.10 0.07 0.00 -0.22 0.00 0.00 33.01 27.72 2jab s GLN 26 CO 0.10 -1.84 1.66 -0.44 -0.25 0.00 0.00 175.29 174.53 2jab h ASP 27 N 7.53 -0.43 -0.02 5.90 5.19 -1.92 -1.08 116.42 131.59 2jab h ASP 27 Ca 0.30 0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 56.73 2jab h ASP 27 Cb 0.90 0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 2jab h ASP 27 CO 1.25 -0.16 -0.30 0.44 -3.12 0.00 0.00 179.24 177.35 2jab h ASP 28 N -0.05 0.48 -0.68 6.45 3.32 -1.98 -2.02 116.42 121.94 2jab h ASP 28 Ca 0.17 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2jab h ASP 28 Cb 0.31 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2jab h ASP 28 CO -0.39 0.77 0.12 -0.33 -1.72 0.00 0.00 179.24 177.69 2jab h GLU 29 N 0.41 1.12 -0.34 3.56 5.08 -1.85 -1.15 114.58 121.40 2jab h GLU 29 Ca 0.05 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2jab h GLU 29 Cb 0.74 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2jab h GLU 29 CO 0.06 1.02 0.16 0.28 -1.00 0.00 0.00 179.01 179.53 2jab h VAL 30 N 1.05 0.98 -0.70 3.13 2.07 -0.94 -0.83 116.25 121.00 2jab h VAL 30 Ca 0.21 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 2jab h VAL 30 Cb 0.44 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2jab h VAL 30 CO 0.01 0.06 0.43 0.03 0.02 0.00 0.00 177.57 178.13 2jab h ARG 31 N 0.34 0.95 -0.49 1.57 3.08 -1.00 -0.34 114.38 118.49 2jab h ARG 31 Ca 0.14 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2jab h ARG 31 Cb 0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 2jab h ARG 31 CO -0.10 0.66 0.32 0.82 -1.07 0.00 0.00 179.97 180.60 2jab h ILE 32 N 0.96 1.14 -0.55 2.04 2.04 -0.97 -1.68 117.51 120.48 2jab h ILE 32 Ca 0.25 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2jab h ILE 32 Cb -0.05 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2jab h ILE 32 CO -0.05 0.13 0.05 -0.07 0.00 0.00 0.00 178.15 178.21 2jab h LEU 33 N 0.67 0.91 -0.76 1.44 3.38 -0.74 -2.17 115.31 118.03 2jab h LEU 33 Ca 0.18 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2jab h LEU 33 Cb -0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 2jab h LEU 33 CO -0.04 0.96 0.43 0.24 0.09 0.00 0.00 178.44 180.12 2jab h MET 34 N 0.82 0.72 0.00 1.13 2.86 -0.93 -1.36 114.93 118.18 2jab h MET 34 Ca 0.16 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2jab h MET 34 Cb 0.47 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2jab h MET 34 CO 0.02 0.48 0.00 0.00 1.06 0.00 0.00 176.91 178.47 2jab h ALA 35 N 1.42 1.00 -0.29 6.32 0.00 -0.71 -2.46 119.26 124.53 2jab h ALA 35 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2jab h ALA 35 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jab h ALA 35 CO -0.23 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.11 2jab n ASN 36 N -2.75 3.61 -0.78 0.00 3.02 -0.60 -4.99 115.26 112.78 2jab n ASN 36 Ca 0.00 -2.72 -0.08 0.00 -0.03 0.00 0.00 54.58 51.76 2jab n ASN 36 Cb 0.21 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.20 0.44 3.70 7.41 0.00 -0.93 -5.01 105.19 110.61 2jab n GLY 37 Ca 0.18 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.33 1.15 -1.88 4.61 0.00 -0.69 -4.86 120.51 118.51 2jab n ALA 38 Ca -0.09 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.07 2jab n ALA 38 Cb 0.44 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 2jab n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jab s ASP 39 N -0.92 5.41 0.58 0.00 -1.08 -1.26 -4.85 116.67 114.55 2jab s ASP 39 Ca 0.70 1.09 0.32 0.00 -0.52 0.00 0.00 52.55 54.14 2jab s ASP 39 Cb -0.44 -2.52 1.81 0.00 -1.46 0.00 0.00 42.92 40.30 2jab s ASP 39 CO 0.50 -2.13 2.21 1.62 0.52 0.00 0.00 175.17 177.90 2jab h VAL 40 N 7.03 0.43 -0.48 1.11 3.04 -1.89 -2.08 116.25 123.41 2jab h VAL 40 Ca -0.31 -0.18 -0.24 0.00 -1.01 0.00 0.00 66.70 64.96 2jab h VAL 40 Cb 1.19 1.13 -0.14 0.00 -2.01 0.00 0.00 31.29 31.46 2jab h VAL 40 CO 1.09 0.04 0.07 0.59 -1.01 0.00 0.00 177.57 178.35 2jab n ASN 41 N -3.62 2.85 -4.67 3.17 3.02 -1.26 -4.37 115.26 110.38 2jab n ASN 41 Ca -0.02 -3.69 -0.39 0.00 -0.03 0.00 0.00 54.58 50.44 2jab n ASN 41 Cb 0.14 -0.67 0.04 0.00 -0.61 0.00 0.00 39.78 38.67 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 -1.07 0.84 -2.45 5.41 0.00 -0.78 -4.91 120.51 117.55 2jab n ALA 42 Ca 0.38 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.61 2jab n ALA 42 Cb 1.16 -2.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.64 2.39 0.68 0.00 1.02 -1.26 -4.07 119.74 115.85 2jab s LYS 43 Ca 0.71 -0.79 -0.02 0.00 0.02 0.00 0.00 55.97 55.89 2jab s LYS 43 Cb -0.45 -2.25 0.14 0.00 -0.52 0.00 0.00 37.83 34.75 2jab s LYS 43 CO 0.50 0.58 0.93 -0.40 -0.92 0.00 0.00 175.35 176.04 2jab n ASP 44 N 2.42 1.10 0.29 2.83 5.68 -0.34 -4.89 116.55 123.65 2jab n ASP 44 Ca -0.17 -1.96 0.16 0.00 -0.50 0.00 0.00 54.79 52.31 2jab n ASP 44 Cb 0.52 -0.61 0.89 0.00 -1.14 0.00 0.00 41.12 40.77 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 -2.01 0.11 114.58 116.90 2jab h GLU 45 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 2jab h GLU 45 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2jab h GLU 45 CO 0.31 0.05 -0.01 0.66 0.07 0.00 0.00 179.01 180.09 2jab n TYR 46 N -3.60 0.00 -1.02 2.06 4.02 -1.26 -4.91 117.16 112.45 2jab n TYR 46 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.86 2jab n TYR 46 Cb 0.15 -0.05 -0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 0.46 3.77 2.72 0.00 0.39 -4.90 105.19 108.72 2jab n GLY 47 Ca 0.21 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.13 3.73 0.29 0.99 1.43 -1.26 -4.78 118.68 118.94 2jab s LEU 48 Ca 0.00 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 2jab s LEU 48 Cb 0.00 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 2jab s LEU 48 CO 0.00 0.11 0.24 0.42 0.23 0.00 0.00 176.35 177.35 2jab s THR 49 N -1.61 4.05 0.26 5.49 -4.23 -1.26 -1.20 115.64 117.15 2jab s THR 49 Ca 0.30 -1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2jab s THR 49 Cb -0.11 -3.31 0.25 0.00 1.34 0.00 0.00 72.50 70.67 2jab s THR 49 CO 0.22 -0.27 1.82 -0.65 -0.54 0.00 0.00 174.62 175.19 2jab h PRO 50 N 1.38 0.84 -0.79 3.99 0.11 -1.76 -1.50 132.00 134.26 2jab h PRO 50 Ca -0.47 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.62 2jab h PRO 50 Cb 1.25 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 2jab h PRO 50 CO 0.60 0.56 0.51 1.25 -0.21 0.00 0.00 178.00 180.70 2jab h LEU 51 N 0.86 0.85 -0.29 2.35 5.85 -1.95 0.59 115.31 123.58 2jab h LEU 51 Ca 0.45 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.12 2jab h LEU 51 Cb 0.46 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2jab h LEU 51 CO -0.27 0.60 0.03 0.22 -0.34 0.00 0.00 178.44 178.67 2jab h TYR 52 N 1.01 0.53 -0.56 1.25 5.03 -1.76 -0.97 116.97 121.49 2jab h TYR 52 Ca 0.31 -0.08 -0.06 0.00 2.58 0.00 0.00 58.73 61.48 2jab h TYR 52 Cb -0.03 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 2jab h TYR 52 CO -0.03 0.61 0.13 -0.07 -1.32 0.00 0.00 178.16 177.48 2jab h LEU 53 N 0.30 0.86 -0.38 2.82 3.38 -0.87 0.10 115.31 121.51 2jab h LEU 53 Ca 0.09 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2jab h LEU 53 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jab h LEU 53 CO 0.01 0.87 -0.01 0.00 0.09 0.00 0.00 178.44 179.40 2jab h ALA 54 N 1.01 0.51 -0.08 1.53 0.00 -0.85 -2.64 119.26 118.75 2jab h ALA 54 Ca 0.17 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jab h ALA 54 Cb 0.36 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jab h ALA 54 CO 0.00 0.29 -0.11 1.15 0.00 0.00 0.00 179.25 180.58 2jab h THR 55 N 0.50 0.69 -1.04 0.00 2.02 -0.97 -1.07 112.91 113.04 2jab h THR 55 Ca 0.11 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.55 2jab h THR 55 Cb 0.48 0.69 -0.11 0.00 -1.74 0.00 0.00 68.15 67.47 2jab h THR 55 CO 0.02 0.00 0.65 0.00 0.37 0.00 0.00 175.52 176.56 2jab h ALA 56 N 0.89 2.07 -0.01 6.16 0.00 -0.62 -0.82 119.26 126.94 2jab h ALA 56 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jab h ALA 56 Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jab h ALA 56 CO -0.18 -0.52 -0.25 0.72 0.00 0.00 0.00 179.25 179.03 2jab n HIS 57 N -4.74 0.00 -1.67 0.00 8.25 -0.97 -4.95 115.22 111.15 2jab n HIS 57 Ca 0.26 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.67 2jab n HIS 57 Cb 0.85 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.83 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 1.33 0.45 3.48 -1.41 0.00 -0.31 -4.96 105.19 103.78 2jab n GLY 58 Ca 0.12 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.25 3.12 0.10 1.61 4.02 -0.47 -4.88 115.29 116.54 2jab s HIS 59 Ca 0.00 -1.59 -0.24 0.00 1.02 0.00 0.00 55.06 54.25 2jab s HIS 59 Cb 0.00 -4.40 -0.12 0.00 -1.02 0.00 0.00 32.58 27.03 2jab s HIS 59 CO 0.00 -1.56 1.71 1.25 1.02 0.00 0.00 174.74 177.16 2jab h LEU 60 N 10.76 -0.22 -0.66 0.89 5.85 -1.93 -0.86 115.31 129.14 2jab h LEU 60 Ca 0.25 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.08 2jab h LEU 60 Cb 0.96 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 2jab h LEU 60 CO 1.24 -0.13 0.31 -0.33 -0.34 0.00 0.00 178.44 179.18 2jab h GLU 61 N -0.17 0.51 -0.38 1.25 4.39 -2.00 -0.29 114.58 117.90 2jab h GLU 61 Ca 0.01 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2jab h GLU 61 Cb 0.18 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2jab h GLU 61 CO -0.04 0.34 -0.01 0.82 -1.16 0.00 0.00 179.01 178.96 2jab h ILE 62 N 0.53 1.26 -0.43 3.13 2.04 -1.90 -1.05 117.51 121.09 2jab h ILE 62 Ca 0.33 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.23 2jab h ILE 62 Cb 0.36 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2jab h ILE 62 CO -0.28 0.34 0.12 0.58 0.00 0.00 0.00 178.15 178.92 2jab h VAL 63 N 0.49 0.82 -0.41 1.67 2.07 -0.57 -0.34 116.25 119.98 2jab h VAL 63 Ca 0.11 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2jab h VAL 63 Cb 0.49 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2jab h VAL 63 CO 0.02 0.05 0.25 -0.33 0.02 0.00 0.00 177.57 177.58 2jab h GLU 64 N 0.27 0.56 -0.03 1.57 5.08 -0.79 -0.29 114.58 120.94 2jab h GLU 64 Ca 0.21 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2jab h GLU 64 Cb 0.23 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2jab h GLU 64 CO -0.24 0.41 0.02 0.28 -1.00 0.00 0.00 179.01 178.48 2jab h VAL 65 N 0.55 1.04 -0.29 3.13 2.07 -0.84 -1.60 116.25 120.31 2jab h VAL 65 Ca 0.15 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2jab h VAL 65 Cb -0.01 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2jab h VAL 65 CO -0.03 0.04 0.14 -0.07 0.02 0.00 0.00 177.57 177.66 2jab h LEU 66 N -0.00 0.19 -0.96 2.57 3.38 -0.86 -1.94 115.31 117.69 2jab h LEU 66 Ca 0.01 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2jab h LEU 66 Cb 0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2jab h LEU 66 CO -0.00 0.15 0.63 -0.07 0.09 0.00 0.00 178.44 179.24 2jab h LEU 67 N 0.29 1.07 -1.73 1.67 3.38 -0.92 -1.03 115.31 118.04 2jab h LEU 67 Ca 0.12 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2jab h LEU 67 Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2jab h LEU 67 CO -0.09 0.75 -0.17 0.11 0.09 0.00 0.00 178.44 179.13 2jab h LYS 68 N 1.25 0.00 -0.64 1.13 1.57 -0.94 -2.20 116.57 116.73 2jab h LYS 68 Ca 0.37 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 2jab h LYS 68 Cb -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2jab h LYS 68 CO -0.10 0.17 0.03 0.09 -0.57 0.00 0.00 179.45 179.07 2jab n ASN 69 N -4.02 5.21 0.00 0.86 3.02 -0.49 -4.93 115.26 114.91 2jab n ASN 69 Ca -0.02 -2.88 0.00 0.00 -0.03 0.00 0.00 54.58 51.65 2jab n ASN 69 Cb 0.25 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.48 0.66 3.76 7.41 0.00 -0.83 -4.86 105.19 111.81 2jab n GLY 70 Ca 0.27 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.34 2.08 -2.53 4.61 0.00 -0.61 -4.90 120.51 118.82 2jab n ALA 71 Ca 0.00 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 2jab n ALA 71 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.03 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 -0.42 6.45 0.28 0.00 2.15 -1.26 -4.82 116.67 119.05 2jab s ASP 72 Ca 0.60 0.33 0.23 0.00 0.43 0.00 0.00 52.55 54.14 2jab s ASP 72 Cb -0.45 -2.55 1.05 0.00 -0.30 0.00 0.00 42.92 40.67 2jab s ASP 72 CO 0.58 -1.44 1.70 1.33 -0.17 0.00 0.00 175.17 177.17 2jab n VAL 73 N 6.81 0.90 1.15 1.11 0.24 -1.26 -2.92 118.33 124.36 2jab n VAL 73 Ca 0.11 0.40 0.13 0.00 -2.04 0.00 0.00 64.34 62.93 2jab n VAL 73 Cb 0.49 -1.35 0.23 0.00 -1.47 0.00 0.00 33.84 31.73 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 -2.26 2.43 -4.72 -1.34 3.02 -1.26 -4.34 115.26 106.79 2jab n ASN 74 Ca 0.01 -1.78 -0.43 0.00 -0.03 0.00 0.00 54.58 52.35 2jab n ASN 74 Cb 0.17 0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.84 1.87 -2.44 5.41 0.00 -1.15 -4.92 120.51 120.12 2jab n ALA 75 Ca 0.15 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.74 2jab n ALA 75 Cb 0.51 -2.36 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 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 -0.48 1.99 0.00 0.00 -7.23 -1.26 -4.04 120.40 109.38 2jab s VAL 76 Ca 0.61 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2jab s VAL 76 Cb -0.55 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2jab s VAL 76 CO 0.55 -0.31 0.00 -0.90 -0.31 0.00 0.00 175.10 174.13 2jab n ASP 77 N 0.12 0.00 0.21 4.85 5.68 -0.53 -4.91 116.55 121.98 2jab n ASP 77 Ca -0.12 -0.16 0.07 0.00 -0.50 0.00 0.00 54.79 54.09 2jab n ASP 77 Cb 0.57 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 41.01 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 -1.28 1.17 -0.48 2.12 0.00 -1.90 -2.67 119.26 116.21 2jab h ALA 78 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jab h ALA 78 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jab h ALA 78 CO 0.00 0.36 0.00 0.44 0.00 0.00 0.00 179.25 180.05 2jab n ILE 79 N -3.68 0.63 -1.06 0.00 -5.35 -1.26 -4.94 119.36 103.70 2jab n ILE 79 Ca -0.01 -0.74 -0.02 0.00 -0.27 0.00 0.00 62.75 61.71 2jab n ILE 79 Cb 0.40 0.64 -0.01 0.00 -1.74 0.00 0.00 39.64 38.93 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 1.46 0.55 3.68 3.28 0.00 -1.01 -1.12 105.19 112.03 2jab n GLY 80 Ca 0.20 -0.47 -0.42 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 -1.99 2.67 0.72 1.61 0.40 -1.26 -4.18 117.98 115.94 2jab s PHE 81 Ca 0.00 0.67 -0.10 0.00 -0.60 0.00 0.00 56.93 56.90 2jab s PHE 81 Cb 0.00 -3.73 0.04 0.00 0.51 0.00 0.00 43.02 39.84 2jab s PHE 81 CO 0.00 -2.80 1.08 0.95 0.70 0.00 0.00 175.22 175.16 2jab s THR 82 N 2.74 2.94 0.48 0.64 -4.23 -1.26 -1.45 115.64 115.50 2jab s THR 82 Ca 0.66 0.19 0.21 0.00 -1.18 0.00 0.00 61.69 61.57 2jab s THR 82 Cb -0.32 -3.28 0.38 0.00 1.34 0.00 0.00 72.50 70.62 2jab s THR 82 CO 0.27 -0.35 1.95 -0.65 -0.54 0.00 0.00 174.62 175.30 2jab h PRO 83 N -0.69 0.20 -0.70 3.99 0.11 -1.76 -1.37 132.00 131.78 2jab h PRO 83 Ca -0.45 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 2jab h PRO 83 Cb 1.28 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2jab h PRO 83 CO 0.64 0.13 0.14 1.25 -0.21 0.00 0.00 178.00 179.95 2jab h LEU 84 N 0.20 1.09 -0.70 2.35 5.85 -1.94 0.11 115.31 122.26 2jab h LEU 84 Ca 0.32 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2jab h LEU 84 Cb 0.99 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2jab h LEU 84 CO -0.06 1.05 0.45 0.45 -0.34 0.00 0.00 178.44 179.99 2jab h HIS 85 N 1.07 0.84 -0.51 1.25 3.86 -1.65 -0.58 115.15 119.43 2jab h HIS 85 Ca 0.22 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.35 2jab h HIS 85 Cb 0.41 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2jab h HIS 85 CO 0.03 0.49 -0.06 1.25 0.86 0.00 0.00 177.93 180.51 2jab h LEU 86 N 0.88 0.94 -0.69 2.43 5.85 -0.73 -0.31 115.31 123.68 2jab h LEU 86 Ca 0.28 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2jab h LEU 86 Cb -0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2jab h LEU 86 CO -0.10 1.05 0.16 0.00 -0.34 0.00 0.00 178.44 179.21 2jab h ALA 87 N 0.92 0.91 -0.85 1.25 0.00 -0.77 -0.52 119.26 120.20 2jab h ALA 87 Ca 0.14 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jab h ALA 87 Cb 0.60 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2jab h ALA 87 CO 0.04 0.63 0.56 0.00 0.00 0.00 0.00 179.25 180.48 2jab h ALA 88 N 1.08 1.43 0.04 0.00 0.00 -0.77 0.21 119.26 121.24 2jab h ALA 88 Ca 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jab h ALA 88 Cb 0.37 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jab h ALA 88 CO 0.00 0.51 -0.02 0.35 0.00 0.00 0.00 179.25 180.09 2jab h PHE 89 N 1.11 -0.05 0.00 0.00 3.57 -0.35 -3.29 116.94 117.94 2jab h PHE 89 Ca 0.32 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.75 2jab h PHE 89 Cb -0.06 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2jab h PHE 89 CO -0.00 0.30 -0.34 -0.84 -2.23 0.00 0.00 178.31 175.20 2jab h ILE 90 N -0.41 0.68 -0.12 1.41 3.07 -1.02 -3.48 117.51 117.64 2jab h ILE 90 Ca -0.01 -1.62 0.00 0.00 1.55 0.00 0.00 64.86 64.78 2jab h ILE 90 Cb 0.38 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 2jab h ILE 90 CO 0.01 0.34 0.00 0.61 -1.05 0.00 0.00 178.15 178.05 2jab n GLY 91 N 0.69 0.89 3.42 0.16 0.00 0.65 -5.02 105.19 105.97 2jab n GLY 91 Ca 0.01 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.12 2.82 0.06 1.61 5.04 -0.73 -4.91 115.29 117.06 2jab s HIS 92 Ca 0.00 -0.72 -0.25 0.00 -1.54 0.00 0.00 55.06 52.55 2jab s HIS 92 Cb 0.00 -4.16 -0.16 0.00 0.04 0.00 0.00 32.58 28.30 2jab s HIS 92 CO 0.00 -1.48 1.61 1.25 -2.34 0.00 0.00 174.74 173.78 2jab h LEU 93 N 10.73 -0.13 -0.73 8.88 5.85 -1.95 -0.99 115.31 136.98 2jab h LEU 93 Ca -0.29 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 2jab h LEU 93 Cb 1.08 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2jab h LEU 93 CO 1.14 0.01 0.17 -0.33 -0.34 0.00 0.00 178.44 179.09 2jab h GLU 94 N -0.25 1.13 -0.43 1.25 5.08 -1.99 -0.72 114.58 118.66 2jab h GLU 94 Ca -0.02 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 2jab h GLU 94 Cb 0.20 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2jab h GLU 94 CO 0.02 1.00 0.05 0.82 -1.00 0.00 0.00 179.01 179.91 2jab h ILE 95 N 1.07 1.25 -0.46 3.13 2.04 -1.94 -1.13 117.51 121.48 2jab h ILE 95 Ca 0.22 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 65.22 2jab h ILE 95 Cb 0.38 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 2jab h ILE 95 CO 0.00 0.32 0.16 0.00 0.00 0.00 0.00 178.15 178.64 2jab h ALA 96 N 0.93 0.55 -0.22 1.87 0.00 -0.71 -1.03 119.26 120.64 2jab h ALA 96 Ca 0.13 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2jab h ALA 96 Cb 0.40 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jab h ALA 96 CO 0.01 -0.22 0.09 0.93 0.00 0.00 0.00 179.25 180.05 2jab h GLU 97 N 0.34 0.19 -0.27 0.00 5.08 -0.89 -0.48 114.58 118.55 2jab h GLU 97 Ca 0.22 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2jab h GLU 97 Cb 0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2jab h GLU 97 CO -0.22 0.13 -0.31 -0.24 -1.00 0.00 0.00 179.01 177.37 2jab h VAL 98 N 0.20 1.28 -0.30 3.13 3.04 -0.96 -1.76 116.25 120.87 2jab h VAL 98 Ca 0.09 -1.41 -0.00 0.00 -1.01 0.00 0.00 66.70 64.37 2jab h VAL 98 Cb 0.05 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 2jab h VAL 98 CO -0.09 0.45 0.18 -0.07 -1.01 0.00 0.00 177.57 177.04 2jab h LEU 99 N 0.47 0.36 -1.14 3.16 3.38 -0.93 -2.04 115.31 118.58 2jab h LEU 99 Ca 0.06 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2jab h LEU 99 Cb 0.78 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2jab h LEU 99 CO 0.06 0.31 0.58 -0.07 0.09 0.00 0.00 178.44 179.41 2jab h LEU 100 N 0.39 0.97 -1.77 1.67 3.38 -0.86 -1.68 115.31 117.40 2jab h LEU 100 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2jab h LEU 100 Cb 0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2jab h LEU 100 CO -0.02 0.67 -0.08 0.11 0.09 0.00 0.00 178.44 179.21 2jab h LYS 101 N 1.13 0.04 -0.72 1.13 1.57 -0.78 -1.81 116.57 117.13 2jab h LYS 101 Ca 0.35 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 59.03 2jab h LYS 101 Cb -0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 2jab h LYS 101 CO -0.10 0.13 0.11 0.72 -0.57 0.00 0.00 179.45 179.74 2jab n HIS 102 N -4.42 1.90 -0.81 -1.35 8.25 -0.80 -4.95 115.22 113.04 2jab n HIS 102 Ca -0.02 -0.81 0.00 0.00 -0.26 0.00 0.00 57.72 56.63 2jab n HIS 102 Cb 0.17 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.76 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 0.24 0.50 3.71 -1.41 0.00 -0.68 -4.89 105.19 102.66 2jab n GLY 103 Ca 0.28 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 0.43 1.66 -2.60 4.61 0.00 -0.70 -4.90 120.51 119.02 2jab n ALA 104 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 2jab n ALA 104 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.08 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 0.18 6.65 0.39 0.00 -1.08 -1.26 -4.76 116.67 116.78 2jab s ASP 105 Ca 0.63 0.51 0.28 0.00 -0.52 0.00 0.00 52.55 53.45 2jab s ASP 105 Cb -0.57 -2.45 1.22 0.00 -1.46 0.00 0.00 42.92 39.65 2jab s ASP 105 CO 0.53 -0.86 1.84 1.62 0.52 0.00 0.00 175.17 178.82 2jab h VAL 106 N 5.84 0.00 -0.02 1.11 3.04 -1.94 -2.71 116.25 121.57 2jab h VAL 106 Ca -0.23 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2jab h VAL 106 Cb 1.08 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 2jab h VAL 106 CO 0.98 0.00 -0.28 0.59 -1.01 0.00 0.00 177.57 177.85 2jab n ASN 107 N -2.57 2.32 -4.70 3.17 3.02 -1.26 -4.45 115.26 110.78 2jab n ASN 107 Ca 0.01 -1.66 -0.43 0.00 -0.03 0.00 0.00 54.58 52.47 2jab n ASN 107 Cb 0.23 0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.45 2.44 -2.73 5.41 0.00 -1.02 -4.87 120.51 120.19 2jab n ALA 108 Ca 0.11 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 2jab n ALA 108 Cb 0.51 -2.51 -0.09 0.00 0.00 0.00 0.00 19.45 17.36 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 1.46 3.13 0.35 0.00 -0.21 -1.26 -4.15 119.66 118.97 2jab s GLN 109 Ca 0.77 -0.36 -0.06 0.00 0.02 0.00 0.00 55.36 55.73 2jab s GLN 109 Cb -0.53 -2.89 0.09 0.00 1.00 0.00 0.00 33.01 30.68 2jab s GLN 109 CO 0.34 0.68 0.35 -0.40 -2.12 0.00 0.00 175.29 174.15 2jab n ASP 110 N 2.23 -0.93 0.16 5.90 5.68 0.19 -4.82 116.55 124.95 2jab n ASP 110 Ca -0.19 -0.83 0.18 0.00 -0.50 0.00 0.00 54.79 53.45 2jab n ASP 110 Cb 0.54 -0.31 0.79 0.00 -1.14 0.00 0.00 41.12 41.00 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 -0.34 0.11 3.64 -1.38 -0.82 116.57 117.79 2jab h LYS 111 Ca -0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2jab h LYS 111 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2jab h LYS 111 CO 0.09 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.46 2jab n PHE 112 N -3.90 0.54 -0.47 1.91 3.72 -1.26 -4.97 117.46 113.03 2jab n PHE 112 Ca 0.04 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 2jab n PHE 112 Cb 0.41 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 0.36 0.76 3.76 1.37 0.00 -0.31 -5.05 105.19 106.09 2jab n GLY 113 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.53 4.26 0.64 1.61 -0.14 -1.26 -4.70 119.74 119.63 2jab s LYS 114 Ca 0.00 0.61 -0.05 0.00 -1.36 0.00 0.00 55.97 55.17 2jab s LYS 114 Cb 0.00 -3.35 0.04 0.00 -1.68 0.00 0.00 37.83 32.84 2jab s LYS 114 CO 0.00 0.36 0.93 0.95 -0.76 0.00 0.00 175.35 176.83 2jab s THR 115 N -0.10 2.71 0.25 2.17 -4.23 -1.26 -0.64 115.64 114.54 2jab s THR 115 Ca 0.28 -0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 60.47 2jab s THR 115 Cb -0.17 -3.12 0.23 0.00 1.34 0.00 0.00 72.50 70.78 2jab s THR 115 CO 0.15 -0.11 1.79 0.00 -0.54 0.00 0.00 174.62 175.90 2jab h ALA 116 N -0.34 1.22 -0.33 3.99 0.00 -1.78 -1.31 119.26 120.70 2jab h ALA 116 Ca -0.44 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.59 2jab h ALA 116 Cb 1.30 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2jab h ALA 116 CO 0.59 0.01 -0.12 0.35 0.00 0.00 0.00 179.25 180.08 2jab h PHE 117 N 0.71 -0.27 -0.92 0.00 3.57 -1.94 0.14 116.94 118.23 2jab h PHE 117 Ca 0.43 0.03 0.10 0.00 3.53 0.00 0.00 57.97 62.06 2jab h PHE 117 Cb 0.50 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.33 2jab h PHE 117 CO -0.08 -0.19 0.56 -0.44 -2.23 0.00 0.00 178.31 175.93 2jab h ASP 118 N -0.05 0.82 -0.31 0.41 3.32 -1.68 -1.34 116.42 117.60 2jab h ASP 118 Ca 0.16 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 2jab h ASP 118 Cb 0.30 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2jab h ASP 118 CO -0.37 0.47 -0.06 0.40 -1.72 0.00 0.00 179.24 177.95 2jab h ILE 119 N 0.92 1.28 -0.63 0.35 1.08 -0.72 -0.95 117.51 118.85 2jab h ILE 119 Ca 0.44 -1.09 -0.02 0.00 -0.39 0.00 0.00 64.86 63.80 2jab h ILE 119 Cb 0.38 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 2jab h ILE 119 CO -0.24 0.35 0.33 0.77 -0.69 0.00 0.00 178.15 178.67 2jab h SER 120 N 0.36 0.80 -0.52 1.72 4.64 -0.33 -1.57 113.55 118.65 2jab h SER 120 Ca 0.08 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2jab h SER 120 Cb 0.55 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2jab h SER 120 CO 0.03 0.68 0.19 0.40 -0.87 0.00 0.00 176.83 177.26 2jab h ILE 121 N 0.86 1.22 0.00 0.95 1.08 -1.24 0.76 117.51 121.15 2jab h ILE 121 Ca 0.22 -0.73 -0.02 0.00 -0.39 0.00 0.00 64.86 63.94 2jab h ILE 121 Cb 0.07 0.72 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2jab h ILE 121 CO -0.03 0.27 -0.10 1.23 -0.69 0.00 0.00 178.15 178.83 2jab h GLY 122 N 0.71 0.00 -1.80 5.37 0.00 -0.54 -2.80 103.07 104.01 2jab h GLY 122 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2jab h GLY 122 CO -0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.23 2jab n ASN 123 N -3.54 3.80 -2.06 0.19 3.02 -0.65 -4.97 115.26 111.05 2jab n ASN 123 Ca -0.02 -2.61 -0.19 0.00 -0.03 0.00 0.00 54.58 51.73 2jab n ASN 123 Cb 0.23 -0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 38.92 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 0.10 -0.16 3.39 7.41 0.00 -0.96 -4.94 105.19 110.03 2jab n GLY 124 Ca 0.19 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 2jab n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jab s ASN 125 N -2.23 7.03 0.08 1.61 0.02 0.22 -4.88 114.94 116.80 2jab s ASN 125 Ca 0.00 -2.99 -0.17 0.00 -1.02 0.00 0.00 52.86 48.68 2jab s ASN 125 Cb 0.00 -2.30 -0.09 0.00 0.02 0.00 0.00 41.25 38.88 2jab s ASN 125 CO 0.00 -0.60 1.42 -0.33 0.02 0.00 0.00 177.10 177.61 2jab h GLU 126 N 7.38 0.59 -0.79 -0.60 4.39 -1.92 -1.39 114.58 122.23 2jab h GLU 126 Ca 0.20 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2jab h GLU 126 Cb 0.93 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.54 2jab h GLU 126 CO 1.05 0.87 0.43 -0.44 -1.16 0.00 0.00 179.01 179.75 2jab h ASP 127 N 0.31 0.99 -0.33 1.42 3.32 -1.97 -0.76 116.42 119.40 2jab h ASP 127 Ca 0.05 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 2jab h ASP 127 Cb 0.73 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2jab h ASP 127 CO 0.05 0.81 -0.05 0.25 -1.72 0.00 0.00 179.24 178.58 2jab h LEU 128 N 1.10 0.62 -0.79 1.55 6.46 -1.89 -2.78 115.31 119.59 2jab h LEU 128 Ca 0.28 -0.35 0.15 0.00 -0.12 0.00 0.00 57.88 57.84 2jab h LEU 128 Cb 0.04 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 39.70 2jab h LEU 128 CO -0.04 0.83 0.33 0.00 -0.62 0.00 0.00 178.44 178.93 2jab h ALA 129 N 0.82 1.14 -0.61 1.25 0.00 -0.92 -1.87 119.26 119.07 2jab h ALA 129 Ca 0.09 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jab h ALA 129 Cb 0.54 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2jab h ALA 129 CO 0.03 -0.21 0.40 0.93 0.00 0.00 0.00 179.25 180.40 2jab h GLU 130 N 0.46 0.80 -0.27 0.00 5.08 -0.88 0.20 114.58 119.97 2jab h GLU 130 Ca 0.44 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.62 2jab h GLU 130 Cb 0.69 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2jab h GLU 130 CO -0.42 0.53 -0.37 -0.84 -1.00 0.00 0.00 179.01 176.91 2jab h ILE 131 N 0.82 1.29 -0.31 3.13 3.07 -1.20 -2.30 117.51 122.02 2jab h ILE 131 Ca 0.22 -1.52 -0.07 0.00 1.55 0.00 0.00 64.86 65.04 2jab h ILE 131 Cb -0.09 1.48 -0.01 0.00 -0.27 0.00 0.00 36.82 37.93 2jab h ILE 131 CO -0.05 0.49 -0.08 -0.07 -1.05 0.00 0.00 178.15 177.39 2jab h LEU 132 N 0.52 0.60 -1.58 0.16 3.38 -1.10 -2.95 115.31 114.34 2jab h LEU 132 Ca 0.05 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.71 2jab h LEU 132 Cb 0.88 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2jab h LEU 132 CO 0.08 0.83 0.36 -0.61 0.09 0.00 0.00 178.44 179.18 2jab h GLN 133 N 0.36 0.50 0.00 1.13 5.75 -0.52 -2.11 115.11 120.23 2jab h GLN 133 Ca 0.08 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2jab h GLN 133 Cb 0.57 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 2jab h GLN 133 CO 0.03 0.33 -0.13 -0.22 -2.65 0.00 0.00 178.83 176.19 2jab h LYS 134 N 0.52 0.00 -0.01 1.69 3.64 -1.23 -3.51 116.57 117.67 2jab h LYS 134 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2jab h LYS 134 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2jab h LYS 134 CO -0.06 0.13 0.00 1.28 -2.27 0.00 0.00 179.45 178.53