#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 0.83 -0.10 4.04 2.03 -2.04 -2.00 116.42 119.18 2jab h ASP 13 Ca 0.00 -0.17 -0.07 0.00 -0.73 0.00 0.00 57.03 56.06 2jab h ASP 13 Cb 0.00 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.27 2jab h ASP 13 CO 0.00 0.83 -0.15 -0.07 -1.03 0.00 0.00 179.24 178.82 2jab h LEU 14 N 0.84 0.45 -0.43 0.15 3.38 -1.99 -1.56 115.31 116.16 2jab h LEU 14 Ca 0.18 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2jab h LEU 14 Cb 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2jab h LEU 14 CO 0.00 0.63 0.08 1.23 0.09 0.00 0.00 178.44 180.48 2jab h GLY 15 N 0.93 0.77 0.68 0.83 0.00 -1.79 0.12 103.07 104.61 2jab h GLY 15 Ca 0.08 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.95 2jab h GLY 15 CO 0.03 0.46 0.12 1.70 0.00 0.00 0.00 176.54 178.86 2jab h LYS 16 N 0.57 0.26 -0.68 4.80 3.64 -1.24 -0.38 116.57 123.55 2jab h LYS 16 Ca 0.13 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2jab h LYS 16 Cb 0.36 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2jab h LYS 16 CO 0.01 0.18 0.29 0.87 -2.27 0.00 0.00 179.45 178.52 2jab h LYS 17 N 0.27 0.98 -0.42 1.90 1.57 -1.03 -1.75 116.57 118.09 2jab h LYS 17 Ca 0.16 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2jab h LYS 17 Cb 0.14 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2jab h LYS 17 CO -0.17 0.79 0.14 1.25 -0.57 0.00 0.00 179.45 180.89 2jab h LEU 18 N 0.97 0.61 -0.77 2.94 5.85 -0.35 -0.66 115.31 123.91 2jab h LEU 18 Ca 0.23 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2jab h LEU 18 Cb 0.16 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2jab h LEU 18 CO -0.02 0.65 0.47 -0.07 -0.34 0.00 0.00 178.44 179.12 2jab h LEU 19 N 0.54 0.75 -0.52 2.25 3.38 -0.86 -0.49 115.31 120.37 2jab h LEU 19 Ca 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2jab h LEU 19 Cb 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2jab h LEU 19 CO -0.01 0.50 0.20 -0.33 0.09 0.00 0.00 178.44 178.89 2jab h GLU 20 N 0.89 0.78 -0.23 1.13 5.08 -1.08 -1.29 114.58 119.85 2jab h GLU 20 Ca 0.32 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 2jab h GLU 20 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2jab h GLU 20 CO -0.15 0.70 -0.42 0.00 -1.00 0.00 0.00 179.01 178.14 2jab h ALA 21 N 1.05 0.84 -0.40 3.43 0.00 -0.64 -2.11 119.26 121.43 2jab h ALA 21 Ca 0.17 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2jab h ALA 21 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2jab h ALA 21 CO -0.01 0.65 0.07 0.00 0.00 0.00 0.00 179.25 179.96 2jab h ALA 22 N 1.09 0.53 -0.88 0.00 0.00 -0.90 0.21 119.26 119.30 2jab h ALA 22 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jab h ALA 22 Cb 0.93 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2jab h ALA 22 CO 0.08 0.23 0.50 0.00 0.00 0.00 0.00 179.25 180.06 2jab h ARG 23 N 0.51 1.22 -0.02 0.00 3.08 -1.08 -2.89 114.38 115.19 2jab h ARG 23 Ca 0.12 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jab h ARG 23 Cb 0.35 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2jab h ARG 23 CO 0.01 0.88 -0.02 0.00 -1.07 0.00 0.00 179.97 179.77 2jab n ALA 24 N -2.41 2.58 -2.36 0.04 0.00 -0.81 -4.95 120.51 112.60 2jab n ALA 24 Ca 0.09 -0.54 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 2jab n ALA 24 Cb 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.25 -0.03 3.43 0.00 0.00 -0.45 -4.95 105.19 104.44 2jab n GLY 25 Ca 0.17 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.74 3.87 0.14 1.61 -1.52 -0.06 -4.88 119.66 114.08 2jab s GLN 26 Ca 0.05 -2.33 -0.20 0.00 -1.95 0.00 0.00 55.36 50.93 2jab s GLN 26 Cb -0.02 -4.90 0.02 0.00 -0.22 0.00 0.00 33.01 27.89 2jab s GLN 26 CO 0.07 -1.67 1.67 -0.44 -0.25 0.00 0.00 175.29 174.66 2jab h ASP 27 N 7.79 -0.44 0.15 5.90 5.19 -1.93 -0.97 116.42 132.11 2jab h ASP 27 Ca 0.22 0.10 -0.12 0.00 -0.62 0.00 0.00 57.03 56.61 2jab h ASP 27 Cb 0.95 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 2jab h ASP 27 CO 1.12 -0.17 -0.44 0.44 -3.12 0.00 0.00 179.24 177.08 2jab h ASP 28 N -0.11 0.38 -0.53 6.45 3.32 -1.98 -2.05 116.42 121.89 2jab h ASP 28 Ca 0.13 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2jab h ASP 28 Cb 0.31 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2jab h ASP 28 CO -0.31 0.78 0.08 -0.08 -1.72 0.00 0.00 179.24 177.99 2jab h GLU 29 N 0.30 0.88 -0.62 3.56 4.57 -1.85 -1.31 114.58 120.10 2jab h GLU 29 Ca 0.02 -0.24 0.07 0.00 -1.18 0.00 0.00 59.36 58.03 2jab h GLU 29 Cb 0.89 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.32 2jab h GLU 29 CO 0.07 0.86 0.31 0.28 -1.18 0.00 0.00 179.01 179.35 2jab h VAL 30 N 0.76 0.90 -0.62 0.32 2.07 -0.83 -0.79 116.25 118.07 2jab h VAL 30 Ca 0.16 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2jab h VAL 30 Cb 0.41 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2jab h VAL 30 CO 0.01 0.10 0.40 0.03 0.02 0.00 0.00 177.57 178.13 2jab h ARG 31 N 0.56 0.78 -0.50 1.57 3.08 -0.96 0.34 114.38 119.24 2jab h ARG 31 Ca 0.29 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2jab h ARG 31 Cb 0.25 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2jab h ARG 31 CO -0.22 0.51 0.26 0.82 -1.07 0.00 0.00 179.97 180.27 2jab h ILE 32 N 0.80 1.18 -0.52 2.04 2.04 -0.96 -0.80 117.51 121.30 2jab h ILE 32 Ca 0.24 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 2jab h ILE 32 Cb -0.05 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2jab h ILE 32 CO -0.07 0.20 -0.01 -0.07 0.00 0.00 0.00 178.15 178.20 2jab h LEU 33 N 0.67 0.90 -0.49 1.44 3.38 -0.68 -1.59 115.31 118.94 2jab h LEU 33 Ca 0.17 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.88 2jab h LEU 33 Cb 0.08 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 2jab h LEU 33 CO -0.03 1.00 0.23 0.24 0.09 0.00 0.00 178.44 179.97 2jab h MET 34 N 0.79 0.44 -0.09 1.13 2.86 -0.78 -1.00 114.93 118.29 2jab h MET 34 Ca 0.14 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2jab h MET 34 Cb 0.54 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2jab h MET 34 CO 0.03 0.29 0.03 0.00 1.06 0.00 0.00 176.91 178.32 2jab h ALA 35 N 1.28 1.88 -0.54 6.32 0.00 -0.69 -1.54 119.26 125.97 2jab h ALA 35 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jab h ALA 35 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jab h ALA 35 CO -0.17 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.27 2jab n ASN 36 N -4.49 2.89 -0.24 0.00 3.02 -0.64 -4.94 115.26 110.85 2jab n ASN 36 Ca -0.02 -2.00 -0.02 0.00 -0.03 0.00 0.00 54.58 52.51 2jab n ASN 36 Cb 0.11 -0.36 -0.00 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 1.35 0.39 3.67 7.41 0.00 -0.58 -5.01 105.19 112.43 2jab n GLY 37 Ca 0.18 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.21 0.89 -1.73 4.61 0.00 -0.42 -4.85 120.51 118.79 2jab n ALA 38 Ca -0.03 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.24 2jab n ALA 38 Cb 0.34 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 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 -0.69 5.04 0.61 0.00 2.15 -1.26 -4.84 116.67 117.67 2jab s ASP 39 Ca 0.64 1.16 0.35 0.00 0.43 0.00 0.00 52.55 55.12 2jab s ASP 39 Cb -0.51 -2.51 1.97 0.00 -0.30 0.00 0.00 42.92 41.57 2jab s ASP 39 CO 0.56 -2.41 2.26 1.62 -0.17 0.00 0.00 175.17 177.04 2jab h VAL 40 N 7.29 0.33 -0.40 1.11 3.04 -1.88 -2.35 116.25 123.38 2jab h VAL 40 Ca -0.30 -0.10 -0.16 0.00 -1.01 0.00 0.00 66.70 65.14 2jab h VAL 40 Cb 1.23 1.07 -0.09 0.00 -2.01 0.00 0.00 31.29 31.48 2jab h VAL 40 CO 1.11 0.02 0.03 0.59 -1.01 0.00 0.00 177.57 178.30 2jab n ASN 41 N -3.52 3.11 -4.61 3.17 3.02 -1.26 -4.40 115.26 110.78 2jab n ASN 41 Ca -0.03 -3.51 -0.41 0.00 -0.03 0.00 0.00 54.58 50.60 2jab n ASN 41 Cb 0.11 -0.63 0.01 0.00 -0.61 0.00 0.00 39.78 38.66 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 -0.90 0.18 -2.77 5.41 0.00 -0.89 -4.92 120.51 116.62 2jab n ALA 42 Ca 0.32 0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.66 2jab n ALA 42 Cb 1.07 -2.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.04 2.91 0.83 0.00 1.02 -1.26 -4.00 119.74 117.20 2jab s LYS 43 Ca 0.64 -0.71 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 2jab s LYS 43 Cb -0.55 -2.48 0.19 0.00 -0.52 0.00 0.00 37.83 34.47 2jab s LYS 43 CO 0.56 0.42 1.14 -0.40 -0.92 0.00 0.00 175.35 176.15 2jab n ASP 44 N 2.91 0.42 0.28 2.83 5.68 -0.29 -4.87 116.55 123.51 2jab n ASP 44 Ca -0.18 -1.61 0.19 0.00 -0.50 0.00 0.00 54.79 52.69 2jab n ASP 44 Cb 0.52 -0.84 0.98 0.00 -1.14 0.00 0.00 41.12 40.64 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 -0.06 0.11 4.11 -2.00 0.12 114.58 116.86 2jab h GLU 45 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2jab h GLU 45 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2jab h GLU 45 CO 0.29 0.00 0.00 0.66 0.07 0.00 0.00 179.01 180.03 2jab n TYR 46 N -2.86 0.07 -1.19 2.06 4.02 -1.26 -4.93 117.16 113.07 2jab n TYR 46 Ca -0.02 -0.04 -0.06 0.00 -0.01 0.00 0.00 57.90 57.77 2jab n TYR 46 Cb 0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 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 0.87 3.73 2.72 0.00 0.43 -4.88 105.19 109.15 2jab n GLY 47 Ca 0.18 -0.72 -0.25 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 -1.45 3.54 0.29 0.99 1.43 -1.26 -4.78 118.68 117.45 2jab s LEU 48 Ca 0.00 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2jab s LEU 48 Cb 0.00 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2jab s LEU 48 CO 0.00 0.04 0.16 0.42 0.23 0.00 0.00 176.35 177.20 2jab s THR 49 N -1.92 3.72 0.29 5.49 -4.23 -1.26 -1.14 115.64 116.60 2jab s THR 49 Ca 0.30 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2jab s THR 49 Cb -0.09 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 70.90 2jab s THR 49 CO 0.21 -0.28 1.88 -0.65 -0.54 0.00 0.00 174.62 175.24 2jab h PRO 50 N 1.54 1.00 -0.89 3.99 0.11 -1.77 -1.83 132.00 134.15 2jab h PRO 50 Ca -0.46 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.63 2jab h PRO 50 Cb 1.25 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 2jab h PRO 50 CO 0.61 0.66 0.57 1.25 -0.21 0.00 0.00 178.00 180.88 2jab h LEU 51 N 1.03 0.94 -0.29 2.35 5.85 -1.95 0.20 115.31 123.44 2jab h LEU 51 Ca 0.44 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.07 2jab h LEU 51 Cb 0.33 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2jab h LEU 51 CO -0.20 0.63 -0.18 0.22 -0.34 0.00 0.00 178.44 178.58 2jab h TYR 52 N 1.09 0.74 -0.53 1.25 5.03 -1.81 -1.01 116.97 121.73 2jab h TYR 52 Ca 0.36 -0.20 -0.10 0.00 2.58 0.00 0.00 58.73 61.38 2jab h TYR 52 Cb 0.04 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.14 2jab h TYR 52 CO -0.02 0.89 -0.05 -0.07 -1.32 0.00 0.00 178.16 177.59 2jab h LEU 53 N 0.38 0.95 -0.79 2.82 3.38 -0.98 0.14 115.31 121.21 2jab h LEU 53 Ca 0.06 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 2jab h LEU 53 Cb 0.71 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jab h LEU 53 CO 0.05 1.05 0.06 0.00 0.09 0.00 0.00 178.44 179.69 2jab h ALA 54 N 0.93 0.99 -0.52 1.53 0.00 -0.93 -2.74 119.26 118.52 2jab h ALA 54 Ca 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2jab h ALA 54 Cb 0.59 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2jab h ALA 54 CO 0.04 0.63 0.19 1.15 0.00 0.00 0.00 179.25 181.26 2jab h THR 55 N 0.91 1.22 -0.88 0.00 2.02 -0.77 -0.60 112.91 114.81 2jab h THR 55 Ca 0.18 -0.70 0.16 0.00 0.77 0.00 0.00 66.41 66.82 2jab h THR 55 Cb 0.45 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 2jab h THR 55 CO 0.02 0.26 0.57 0.00 0.37 0.00 0.00 175.52 176.74 2jab h ALA 56 N 1.04 1.95 -0.01 6.16 0.00 -0.74 -0.98 119.26 126.68 2jab h ALA 56 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jab h ALA 56 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jab h ALA 56 CO -0.01 -0.20 -0.22 0.72 0.00 0.00 0.00 179.25 179.53 2jab n HIS 57 N -4.55 0.00 -2.17 0.00 8.25 -1.06 -4.96 115.22 110.73 2jab n HIS 57 Ca 0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.53 2jab n HIS 57 Cb 0.54 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 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 1.32 -0.03 3.52 -1.41 0.00 -0.37 -4.95 105.19 103.27 2jab n GLY 58 Ca 0.13 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.52 2.93 0.15 1.61 4.02 -0.29 -4.84 115.29 116.35 2jab s HIS 59 Ca 0.00 -1.45 -0.14 0.00 1.02 0.00 0.00 55.06 54.50 2jab s HIS 59 Cb 0.00 -4.55 0.03 0.00 -1.02 0.00 0.00 32.58 27.05 2jab s HIS 59 CO 0.00 -1.69 1.70 1.25 1.02 0.00 0.00 174.74 177.01 2jab h LEU 60 N 11.58 0.69 -0.77 0.89 5.85 -1.92 -0.20 115.31 131.43 2jab h LEU 60 Ca 0.28 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2jab h LEU 60 Cb 0.95 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 2jab h LEU 60 CO 1.33 0.68 0.42 -0.33 -0.34 0.00 0.00 178.44 180.20 2jab h GLU 61 N 0.66 1.07 -0.41 1.25 5.08 -1.99 -1.21 114.58 119.03 2jab h GLU 61 Ca 0.16 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2jab h GLU 61 Cb 0.21 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2jab h GLU 61 CO -0.01 0.79 0.02 0.82 -1.00 0.00 0.00 179.01 179.63 2jab h ILE 62 N 1.06 1.25 -0.69 3.13 2.04 -1.89 -2.00 117.51 120.42 2jab h ILE 62 Ca 0.27 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.22 2jab h ILE 62 Cb 0.04 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 2jab h ILE 62 CO -0.04 0.33 0.40 0.58 0.00 0.00 0.00 178.15 179.41 2jab h VAL 63 N 0.54 0.99 -0.33 1.67 2.07 -0.48 0.02 116.25 120.73 2jab h VAL 63 Ca 0.12 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2jab h VAL 63 Cb 0.44 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2jab h VAL 63 CO 0.02 0.13 0.11 -0.33 0.02 0.00 0.00 177.57 177.52 2jab h GLU 64 N 0.74 0.51 -0.45 1.57 5.08 -1.06 -0.17 114.58 120.80 2jab h GLU 64 Ca 0.30 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2jab h GLU 64 Cb 0.16 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2jab h GLU 64 CO -0.17 0.54 0.12 0.28 -1.00 0.00 0.00 179.01 178.77 2jab h VAL 65 N 0.38 1.23 -0.33 3.13 2.07 -1.02 -1.30 116.25 120.41 2jab h VAL 65 Ca 0.11 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2jab h VAL 65 Cb 0.24 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2jab h VAL 65 CO -0.00 0.28 0.16 -0.07 0.02 0.00 0.00 177.57 177.96 2jab h LEU 66 N 0.59 0.24 -0.66 2.57 3.38 -0.62 -2.36 115.31 118.45 2jab h LEU 66 Ca 0.14 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2jab h LEU 66 Cb 0.31 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2jab h LEU 66 CO -0.00 0.18 0.32 -0.07 0.09 0.00 0.00 178.44 178.96 2jab h LEU 67 N 0.34 0.86 -2.06 1.67 3.38 -0.83 -1.18 115.31 117.51 2jab h LEU 67 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jab h LEU 67 Cb 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2jab h LEU 67 CO -0.10 0.75 0.00 0.11 0.09 0.00 0.00 178.44 179.29 2jab h LYS 68 N 0.91 0.00 -0.31 1.13 1.57 -0.99 -2.32 116.57 116.56 2jab h LYS 68 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2jab h LYS 68 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2jab h LYS 68 CO -0.03 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.94 2jab n ASN 69 N -2.89 4.19 0.00 0.86 3.02 -0.81 -4.97 115.26 114.66 2jab n ASN 69 Ca -0.01 -3.00 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 2jab n ASN 69 Cb 0.16 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 -0.32 0.96 3.70 7.41 0.00 -0.87 -4.85 105.19 111.21 2jab n GLY 70 Ca 0.22 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.77 1.18 -2.66 4.61 0.00 -0.51 -4.89 120.51 116.47 2jab n ALA 71 Ca 0.00 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 2jab n ALA 71 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.15 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 -0.74 6.32 0.41 0.00 2.15 -1.26 -4.83 116.67 118.72 2jab s ASP 72 Ca 0.66 -0.36 0.28 0.00 0.43 0.00 0.00 52.55 53.56 2jab s ASP 72 Cb -0.47 -2.46 1.46 0.00 -0.30 0.00 0.00 42.92 41.15 2jab s ASP 72 CO 0.54 -1.34 1.86 -0.37 -0.17 0.00 0.00 175.17 175.69 2jab h VAL 73 N 6.04 0.00 -0.02 1.11 -1.51 -1.91 -2.91 116.25 117.05 2jab h VAL 73 Ca -0.26 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2jab h VAL 73 Cb 1.07 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2jab h VAL 73 CO 1.13 0.00 -0.12 0.59 -1.23 0.00 0.00 177.57 177.94 2jab n ASN 74 N -2.50 2.05 -4.77 4.19 3.02 -1.26 -4.38 115.26 111.61 2jab n ASN 74 Ca -0.01 -1.59 -0.39 0.00 -0.03 0.00 0.00 54.58 52.55 2jab n ASN 74 Cb 0.09 0.10 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 s ALA 75 N -2.15 3.20 0.15 5.41 0.00 -1.10 -4.92 121.76 122.35 2jab s ALA 75 Ca 0.29 1.32 0.09 0.00 0.00 0.00 0.00 51.96 53.66 2jab s ALA 75 Cb 0.20 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2jab s ALA 75 CO 0.39 -1.00 -0.21 0.14 0.00 0.00 0.00 175.76 175.07 2jab s VAL 76 N -1.26 1.95 0.00 0.00 -7.23 -1.26 -4.08 120.40 108.53 2jab s VAL 76 Ca 0.60 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2jab s VAL 76 Cb -0.40 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2jab s VAL 76 CO 0.51 -0.14 0.00 -0.90 -0.31 0.00 0.00 175.10 174.26 2jab n ASP 77 N 0.61 0.00 0.15 4.85 5.68 -0.44 -4.88 116.55 122.52 2jab n ASP 77 Ca -0.16 -0.47 0.13 0.00 -0.50 0.00 0.00 54.79 53.79 2jab n ASP 77 Cb 0.55 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.04 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 -1.33 1.00 -0.44 2.12 0.00 -1.90 -2.37 119.26 116.35 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 -2.41 1.36 -1.04 0.00 -5.35 -1.26 -4.96 119.36 105.71 2jab n ILE 79 Ca 0.02 -1.18 -0.01 0.00 -0.27 0.00 0.00 62.75 61.31 2jab n ILE 79 Cb 0.28 0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 38.48 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 0.61 0.52 3.67 3.28 0.00 -0.89 -1.26 105.19 111.11 2jab n GLY 80 Ca 0.18 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.01 2.97 0.78 1.61 0.40 -1.26 -4.10 117.98 116.37 2jab s PHE 81 Ca 0.00 1.07 -0.12 0.00 -0.60 0.00 0.00 56.93 57.29 2jab s PHE 81 Cb 0.00 -3.48 0.06 0.00 0.51 0.00 0.00 43.02 40.11 2jab s PHE 81 CO 0.00 -1.58 1.15 0.95 0.70 0.00 0.00 175.22 176.44 2jab s THR 82 N 3.03 2.46 0.49 0.64 -4.23 -1.26 -1.33 115.64 115.44 2jab s THR 82 Ca 0.55 0.15 0.20 0.00 -1.18 0.00 0.00 61.69 61.41 2jab s THR 82 Cb -0.23 -3.15 0.36 0.00 1.34 0.00 0.00 72.50 70.82 2jab s THR 82 CO 0.17 -0.20 1.99 -0.65 -0.54 0.00 0.00 174.62 175.40 2jab h PRO 83 N -0.94 0.17 -0.53 3.99 0.11 -1.76 -1.57 132.00 131.46 2jab h PRO 83 Ca -0.46 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2jab h PRO 83 Cb 1.31 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2jab h PRO 83 CO 0.65 0.11 0.05 1.25 -0.21 0.00 0.00 178.00 179.85 2jab h LEU 84 N 0.17 0.87 -0.56 2.35 5.85 -1.94 -0.12 115.31 121.94 2jab h LEU 84 Ca 0.25 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.74 2jab h LEU 84 Cb 0.77 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2jab h LEU 84 CO -0.04 0.94 0.29 0.45 -0.34 0.00 0.00 178.44 179.74 2jab h HIS 85 N 0.77 0.54 -0.68 1.25 3.86 -1.69 -0.55 115.15 118.65 2jab h HIS 85 Ca 0.15 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 2jab h HIS 85 Cb 0.46 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 2jab h HIS 85 CO 0.03 0.26 0.18 1.25 0.86 0.00 0.00 177.93 180.52 2jab h LEU 86 N 0.56 1.02 -0.84 2.43 5.85 -0.85 0.84 115.31 124.32 2jab h LEU 86 Ca 0.24 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 2jab h LEU 86 Cb 0.14 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2jab h LEU 86 CO -0.16 0.98 0.01 0.00 -0.34 0.00 0.00 178.44 178.93 2jab h ALA 87 N 1.08 1.03 -0.67 1.25 0.00 -0.73 -0.63 119.26 120.59 2jab h ALA 87 Ca 0.22 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2jab h ALA 87 Cb 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2jab h ALA 87 CO -0.00 0.60 0.16 0.00 0.00 0.00 0.00 179.25 180.01 2jab h ALA 88 N 1.19 1.01 0.07 0.00 0.00 -0.66 0.21 119.26 121.07 2jab h ALA 88 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jab h ALA 88 Cb 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jab h ALA 88 CO 0.02 0.64 -0.03 0.35 0.00 0.00 0.00 179.25 180.23 2jab h PHE 89 N 1.02 -0.08 -0.01 0.00 3.57 -0.37 -3.30 116.94 117.76 2jab h PHE 89 Ca 0.21 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.56 2jab h PHE 89 Cb 0.36 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2jab h PHE 89 CO 0.03 0.21 -0.69 0.82 -2.23 0.00 0.00 178.31 176.44 2jab h ILE 90 N -0.38 1.47 -0.00 1.41 2.04 -1.07 -3.48 117.51 117.50 2jab h ILE 90 Ca -0.01 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.55 2jab h ILE 90 Cb 0.33 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2jab h ILE 90 CO 0.02 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.44 2jab n GLY 91 N 0.46 1.57 3.42 5.37 0.00 0.61 -5.05 105.19 111.57 2jab n GLY 91 Ca -0.02 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 2jab n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jab s HIS 92 N -2.00 2.99 0.05 1.61 3.76 -0.51 -4.91 115.29 116.27 2jab s HIS 92 Ca 0.00 -1.05 -0.21 0.00 -0.15 0.00 0.00 55.06 53.65 2jab s HIS 92 Cb 0.00 -4.19 -0.13 0.00 1.11 0.00 0.00 32.58 29.37 2jab s HIS 92 CO 0.00 -1.46 1.42 1.25 -0.85 0.00 0.00 174.74 175.10 2jab h LEU 93 N 10.43 0.29 -0.74 0.89 5.85 -1.97 -1.65 115.31 128.41 2jab h LEU 93 Ca -0.10 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.13 2jab h LEU 93 Cb 1.06 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2jab h LEU 93 CO 1.11 0.62 -0.08 -0.33 -0.34 0.00 0.00 178.44 179.41 2jab h GLU 94 N -0.03 0.88 -0.60 1.25 5.08 -1.99 -0.46 114.58 118.71 2jab h GLU 94 Ca 0.03 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 2jab h GLU 94 Cb 0.50 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2jab h GLU 94 CO 0.02 0.93 0.21 0.82 -1.00 0.00 0.00 179.01 179.99 2jab h ILE 95 N 0.79 1.24 -0.83 3.13 2.04 -1.96 -1.55 117.51 120.38 2jab h ILE 95 Ca 0.13 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.22 2jab h ILE 95 Cb 0.59 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2jab h ILE 95 CO 0.04 0.30 0.55 0.00 0.00 0.00 0.00 178.15 179.04 2jab h ALA 96 N 1.07 1.05 -0.61 1.87 0.00 -0.75 -0.42 119.26 121.47 2jab h ALA 96 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2jab h ALA 96 Cb 0.25 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2jab h ALA 96 CO -0.01 0.46 0.27 0.93 0.00 0.00 0.00 179.25 180.90 2jab h GLU 97 N 1.12 0.90 0.01 0.00 5.08 -0.87 -0.42 114.58 120.40 2jab h GLU 97 Ca 0.30 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 58.31 2jab h GLU 97 Cb -0.13 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 2jab h GLU 97 CO -0.07 0.74 -0.93 -0.24 -1.00 0.00 0.00 179.01 177.52 2jab h VAL 98 N 0.84 1.49 -0.43 3.13 3.04 -0.91 -1.63 116.25 121.80 2jab h VAL 98 Ca 0.21 -2.68 0.06 0.00 -1.01 0.00 0.00 66.70 63.27 2jab h VAL 98 Cb 0.16 2.52 -0.05 0.00 -2.01 0.00 0.00 31.29 31.91 2jab h VAL 98 CO -0.02 0.78 0.14 -0.07 -1.01 0.00 0.00 177.57 177.39 2jab h LEU 99 N 0.12 0.13 -0.91 3.16 3.38 -0.75 -1.87 115.31 118.56 2jab h LEU 99 Ca -0.06 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2jab h LEU 99 Cb 1.57 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.32 2jab h LEU 99 CO 0.14 0.11 0.52 -0.07 0.09 0.00 0.00 178.44 179.23 2jab h LEU 100 N 0.30 1.12 -1.82 1.67 3.38 -0.82 -1.68 115.31 117.46 2jab h LEU 100 Ca 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2jab h LEU 100 Cb 0.20 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jab h LEU 100 CO -0.22 0.89 -0.11 0.11 0.09 0.00 0.00 178.44 179.20 2jab h LYS 101 N 1.27 0.00 -0.65 1.13 1.57 -0.78 -1.88 116.57 117.23 2jab h LYS 101 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2jab h LYS 101 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jab h LYS 101 CO -0.05 0.11 0.00 0.72 -0.57 0.00 0.00 179.45 179.66 2jab n HIS 102 N -4.30 1.29 -0.57 -1.35 8.25 -0.75 -4.95 115.22 112.84 2jab n HIS 102 Ca -0.03 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 2jab n HIS 102 Cb 0.19 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.01 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 0.71 0.68 3.68 -1.41 0.00 -0.71 -4.92 105.19 103.21 2jab n GLY 103 Ca 0.19 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.29 1.20 -2.43 4.61 0.00 -0.69 -4.88 120.51 118.03 2jab n ALA 104 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 2jab n ALA 104 Cb 0.00 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 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 0.30 6.37 0.52 0.00 -1.08 -1.26 -4.76 116.67 116.76 2jab s ASP 105 Ca 0.68 0.57 0.18 0.00 -0.52 0.00 0.00 52.55 53.46 2jab s ASP 105 Cb -0.64 -2.54 1.33 0.00 -1.46 0.00 0.00 42.92 39.61 2jab s ASP 105 CO 0.50 -1.45 2.15 1.62 0.52 0.00 0.00 175.17 178.50 2jab h VAL 106 N 6.38 0.93 -0.55 1.11 3.04 -1.93 -2.51 116.25 122.73 2jab h VAL 106 Ca -0.26 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 2jab h VAL 106 Cb 1.09 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 2jab h VAL 106 CO 1.12 0.02 0.00 0.59 -1.01 0.00 0.00 177.57 178.29 2jab n ASN 107 N -4.40 4.00 -4.72 3.17 3.02 -1.26 -4.27 115.26 110.80 2jab n ASN 107 Ca -0.03 -2.29 -0.43 0.00 -0.03 0.00 0.00 54.58 51.81 2jab n ASN 107 Cb 0.10 -0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 38.79 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 0.90 2.12 -2.79 5.41 0.00 -0.95 -4.89 120.51 120.31 2jab n ALA 108 Ca 0.21 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.68 2jab n ALA 108 Cb 0.71 -2.41 -0.08 0.00 0.00 0.00 0.00 19.45 17.67 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 -0.29 3.33 0.33 0.00 -0.21 -1.26 -4.15 119.66 117.42 2jab s GLN 109 Ca 0.67 -0.27 -0.06 0.00 0.02 0.00 0.00 55.36 55.72 2jab s GLN 109 Cb -0.55 -3.04 0.08 0.00 1.00 0.00 0.00 33.01 30.51 2jab s GLN 109 CO 0.47 0.68 0.36 -0.40 -2.12 0.00 0.00 175.29 174.28 2jab n ASP 110 N 2.25 -0.70 0.20 5.90 5.68 0.32 -4.83 116.55 125.37 2jab n ASP 110 Ca -0.19 -0.91 0.17 0.00 -0.50 0.00 0.00 54.79 53.36 2jab n ASP 110 Cb 0.54 -0.30 0.82 0.00 -1.14 0.00 0.00 41.12 41.03 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 -0.28 0.11 3.64 -1.41 -1.83 116.57 116.80 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 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 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 -3.88 0.79 -0.77 1.91 3.72 -1.26 -4.97 117.46 113.01 2jab n PHE 112 Ca 0.02 -0.77 0.00 0.00 -0.05 0.00 0.00 57.45 56.64 2jab n PHE 112 Cb 0.31 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.24 0.62 3.79 1.37 0.00 -0.69 -5.04 105.19 105.00 2jab n GLY 113 Ca 0.18 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.24 4.17 0.57 1.61 -0.14 -1.26 -4.71 119.74 119.75 2jab s LYS 114 Ca 0.00 0.60 -0.01 0.00 -1.36 0.00 0.00 55.97 55.20 2jab s LYS 114 Cb 0.00 -3.29 0.03 0.00 -1.68 0.00 0.00 37.83 32.89 2jab s LYS 114 CO 0.00 0.51 0.81 0.95 -0.76 0.00 0.00 175.35 176.86 2jab s THR 115 N -0.59 2.85 0.27 2.17 -4.23 -1.26 -0.52 115.64 114.34 2jab s THR 115 Ca 0.27 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2jab s THR 115 Cb -0.18 -3.10 0.26 0.00 1.34 0.00 0.00 72.50 70.82 2jab s THR 115 CO 0.15 -0.08 1.81 0.00 -0.54 0.00 0.00 174.62 175.96 2jab h ALA 116 N -0.03 1.42 -0.29 3.99 0.00 -1.74 -0.68 119.26 121.93 2jab h ALA 116 Ca -0.43 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.57 2jab h ALA 116 Cb 1.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2jab h ALA 116 CO 0.55 0.10 0.03 0.35 0.00 0.00 0.00 179.25 180.28 2jab h PHE 117 N 0.84 0.04 -0.77 0.00 3.57 -1.94 0.37 116.94 119.06 2jab h PHE 117 Ca 0.48 0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.08 2jab h PHE 117 Cb 0.55 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.25 2jab h PHE 117 CO -0.03 -0.01 0.44 -0.44 -2.23 0.00 0.00 178.31 176.03 2jab h ASP 118 N 0.13 0.63 -0.50 0.41 3.32 -1.54 -1.38 116.42 117.48 2jab h ASP 118 Ca 0.13 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 2jab h ASP 118 Cb 0.16 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2jab h ASP 118 CO -0.20 0.38 -0.08 0.40 -1.72 0.00 0.00 179.24 178.02 2jab h ILE 119 N 0.76 1.27 -0.82 0.35 1.08 -0.76 -1.38 117.51 118.01 2jab h ILE 119 Ca 0.36 -1.21 -0.02 0.00 -0.39 0.00 0.00 64.86 63.59 2jab h ILE 119 Cb 0.28 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 2jab h ILE 119 CO -0.22 0.42 0.42 0.77 -0.69 0.00 0.00 178.15 178.85 2jab h SER 120 N 0.80 1.06 -0.16 1.72 4.64 -0.07 -1.62 113.55 119.91 2jab h SER 120 Ca 0.13 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2jab h SER 120 Cb 0.63 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2jab h SER 120 CO 0.04 0.87 0.01 0.40 -0.87 0.00 0.00 176.83 177.28 2jab h ILE 121 N 1.17 1.24 0.00 0.95 1.08 -1.13 -0.42 117.51 120.40 2jab h ILE 121 Ca 0.29 -0.81 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 2jab h ILE 121 Cb 0.08 1.46 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 2jab h ILE 121 CO -0.04 0.24 -0.02 1.23 -0.69 0.00 0.00 178.15 178.87 2jab h GLY 122 N 0.04 0.00 -1.94 5.37 0.00 -0.90 -2.47 103.07 103.17 2jab h GLY 122 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2jab h GLY 122 CO 0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.25 2jab n ASN 123 N -4.52 3.52 -0.96 0.19 3.02 -0.64 -4.98 115.26 110.89 2jab n ASN 123 Ca -0.03 -2.12 -0.10 0.00 -0.03 0.00 0.00 54.58 52.30 2jab n ASN 123 Cb 0.10 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 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 0.87 0.56 3.37 7.41 0.00 -0.72 -4.95 105.19 111.73 2jab n GLY 124 Ca 0.18 -0.52 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.72 6.97 0.27 1.61 0.02 -0.25 -4.90 114.94 115.95 2jab s ASN 125 Ca 0.00 -2.94 0.05 0.00 -1.02 0.00 0.00 52.86 48.95 2jab s ASN 125 Cb 0.00 -2.27 0.39 0.00 0.02 0.00 0.00 41.25 39.39 2jab s ASN 125 CO 0.00 -0.58 1.67 1.05 0.02 0.00 0.00 177.10 179.26 2jab h GLU 126 N 7.49 0.32 -0.31 -0.60 9.09 -1.93 -1.48 114.58 127.16 2jab h GLU 126 Ca 0.17 -0.16 -0.16 0.00 0.05 0.00 0.00 59.36 59.27 2jab h GLU 126 Cb 0.96 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.05 2jab h GLU 126 CO 0.96 0.68 -0.44 -0.44 0.05 0.00 0.00 179.01 179.83 2jab h ASP 127 N 0.26 0.85 -0.23 3.06 3.32 -1.97 -1.95 116.42 119.76 2jab h ASP 127 Ca 0.02 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 2jab h ASP 127 Cb 0.85 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2jab h ASP 127 CO 0.07 1.17 0.13 -0.07 -1.72 0.00 0.00 179.24 178.81 2jab h LEU 128 N 0.63 0.29 -0.99 1.55 -0.00 -1.88 -2.62 115.31 112.30 2jab h LEU 128 Ca 0.04 -0.09 0.05 0.00 -0.00 0.00 0.00 57.88 57.88 2jab h LEU 128 Cb 1.01 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.53 2jab h LEU 128 CO 0.10 0.29 0.64 0.00 -0.00 0.00 0.00 178.44 179.47 2jab h ALA 129 N 1.01 1.33 -0.25 1.53 0.00 -1.05 -1.88 119.26 119.94 2jab h ALA 129 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2jab h ALA 129 Cb 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2jab h ALA 129 CO -0.01 0.49 0.09 0.93 0.00 0.00 0.00 179.25 180.75 2jab h GLU 130 N 1.21 0.38 -0.18 0.00 5.08 -1.19 -0.55 114.58 119.32 2jab h GLU 130 Ca 0.41 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.58 2jab h GLU 130 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2jab h GLU 130 CO -0.14 0.43 -0.38 -0.84 -1.00 0.00 0.00 179.01 177.08 2jab h ILE 131 N 0.25 1.30 -0.22 3.13 3.07 -1.12 -2.34 117.51 121.58 2jab h ILE 131 Ca 0.08 -1.49 -0.10 0.00 1.55 0.00 0.00 64.86 64.90 2jab h ILE 131 Cb 0.20 1.58 -0.00 0.00 -0.27 0.00 0.00 36.82 38.32 2jab h ILE 131 CO -0.01 0.46 -0.26 -0.07 -1.05 0.00 0.00 178.15 177.23 2jab h LEU 132 N 0.33 0.61 -1.38 0.16 3.38 -1.23 -3.08 115.31 114.10 2jab h LEU 132 Ca 0.03 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 2jab h LEU 132 Cb 0.82 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2jab h LEU 132 CO 0.07 0.98 -0.09 -0.61 0.09 0.00 0.00 178.44 178.88 2jab h GLN 133 N 0.26 0.30 0.00 1.13 -0.00 -1.00 -1.60 115.11 114.20 2jab h GLN 133 Ca 0.03 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2jab h GLN 133 Cb 0.82 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.25 2jab h GLN 133 CO 0.06 0.40 -0.03 0.87 0.00 0.00 0.00 178.83 180.14 2jab h LYS 134 N 0.29 0.00 -0.01 1.69 1.57 -1.33 -2.86 116.57 115.93 2jab h LYS 134 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2jab h LYS 134 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2jab h LYS 134 CO 0.02 0.03 -0.35 1.28 -0.57 0.00 0.00 179.45 179.86 2jab n LEU 135 N -3.68 1.06 0.00 2.94 4.77 -0.82 -5.14 117.00 116.13 2jab n LEU 135 Ca -0.03 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 2jab n LEU 135 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2jab n LEU 135 CO 0.27 0.22 0.00 -3.20 -1.33 0.00 0.00 177.39 173.35