#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjz s THR 2 N 0.00 5.16 -0.26 3.17 2.01 -1.26 -5.07 115.64 119.39 2kjz s THR 2 Ca 0.00 0.77 -0.13 0.00 0.31 0.00 0.00 61.69 62.64 2kjz s THR 2 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 2kjz s THR 2 CO 0.00 0.21 0.26 -1.00 -0.69 0.00 0.00 174.62 173.40 2kjz s HIS 3 N 1.54 3.26 -0.36 4.92 0.09 -1.26 -5.08 115.29 118.40 2kjz s HIS 3 Ca 0.20 0.27 -0.22 0.00 -0.00 0.00 0.00 55.06 55.31 2kjz s HIS 3 Cb -0.15 -2.43 0.01 0.00 -0.00 0.00 0.00 32.58 30.00 2kjz s HIS 3 CO 0.09 -0.13 0.70 -1.25 -0.00 0.00 0.00 174.74 174.14 2kjz s PRO 4 N 1.71 3.68 -0.03 8.40 0.04 -1.26 -4.90 135.00 142.64 2kjz s PRO 4 Ca 0.11 0.13 0.21 0.00 0.04 0.00 0.00 61.00 61.48 2kjz s PRO 4 Cb -0.15 -3.82 0.65 0.00 0.04 0.00 0.00 34.50 31.22 2kjz s PRO 4 CO 0.09 -0.80 1.55 -0.40 0.04 0.00 0.00 177.00 177.48 2kjz n ASP 5 N 6.21 4.05 -3.95 6.66 5.75 -1.26 -4.92 116.55 129.09 2kjz n ASP 5 Ca 0.00 -2.13 -0.25 0.00 -0.01 0.00 0.00 54.79 52.40 2kjz n ASP 5 Cb 0.48 -0.50 -0.17 0.00 -1.03 0.00 0.00 41.12 39.90 2kjz n ASP 5 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2kjz s PHE 6 N -1.28 1.41 -0.03 2.11 5.36 -1.26 -1.10 117.98 123.19 2kjz s PHE 6 Ca 0.48 -0.61 0.07 0.00 -0.96 0.00 0.00 56.93 55.92 2kjz s PHE 6 Cb 0.27 -1.12 -0.02 0.00 -0.34 0.00 0.00 43.02 41.81 2kjz s PHE 6 CO 0.30 -0.39 -0.25 -0.08 -1.46 0.00 0.00 175.22 173.34 2kjz s THR 7 N 1.20 2.00 -0.09 0.12 -1.32 -0.70 -5.00 115.64 111.85 2kjz s THR 7 Ca -0.05 -1.07 0.02 0.00 -1.21 0.00 0.00 61.69 59.38 2kjz s THR 7 Cb -0.14 -1.67 -0.02 0.00 -1.51 0.00 0.00 72.50 69.16 2kjz s THR 7 CO -0.02 0.56 -0.16 -0.63 -2.21 0.00 0.00 174.62 172.16 2kjz s ILE 8 N -0.48 2.84 -0.18 5.08 1.01 -1.26 -1.29 121.20 126.91 2kjz s ILE 8 Ca 0.06 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 2kjz s ILE 8 Cb -0.11 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2kjz s ILE 8 CO 0.00 0.55 -0.07 -0.76 0.00 0.00 0.00 174.94 174.66 2kjz s LEU 9 N -0.03 2.88 -0.32 2.97 1.02 -0.68 -4.94 118.68 119.58 2kjz s LEU 9 Ca -0.04 -0.34 -0.29 0.00 0.02 0.00 0.00 54.13 53.48 2kjz s LEU 9 Cb -0.14 -1.70 0.01 0.00 0.02 0.00 0.00 46.19 44.38 2kjz s LEU 9 CO 0.04 0.06 1.12 -0.72 0.02 0.00 0.00 176.35 176.87 2kjz s TYR 10 N 0.99 3.06 0.37 0.29 1.13 -1.26 -2.50 117.35 119.43 2kjz s TYR 10 Ca -0.00 1.12 0.08 0.00 -1.41 0.00 0.00 57.07 56.86 2kjz s TYR 10 Cb -0.15 -3.76 -0.05 0.00 -1.10 0.00 0.00 41.96 36.90 2kjz s TYR 10 CO -0.00 -0.95 0.11 0.14 -2.51 0.00 0.00 175.55 172.34 2kjz s VAL 11 N 3.80 2.53 -0.13 -3.49 -7.23 -0.67 -4.87 120.40 110.35 2kjz s VAL 11 Ca 0.47 -1.80 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 2kjz s VAL 11 Cb -0.13 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 2kjz s VAL 11 CO 0.17 -0.10 -0.23 -0.67 -0.31 0.00 0.00 175.10 173.96 2kjz n ASP 12 N -1.11 1.48 -4.22 4.85 2.03 -1.26 -0.99 116.55 117.33 2kjz n ASP 12 Ca -0.03 0.36 -0.42 0.00 0.52 0.00 0.00 54.79 55.23 2kjz n ASP 12 Cb 0.63 -0.72 -0.07 0.00 -0.72 0.00 0.00 41.12 40.24 2kjz n ASP 12 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kjz s ASN 13 N -5.41 5.85 0.20 1.67 2.47 -1.26 -4.69 114.94 113.77 2kjz s ASN 13 Ca -0.19 -2.23 -0.18 0.00 0.42 0.00 0.00 52.86 50.68 2kjz s ASN 13 Cb 0.03 -2.03 0.19 0.00 -1.45 0.00 0.00 41.25 37.98 2kjz s ASN 13 CO 0.28 -0.62 1.59 1.55 -3.72 0.00 0.00 177.10 176.18 2kjz h PRO 14 N 8.08 -0.10 -0.17 0.43 0.13 -1.89 -2.56 132.00 135.92 2kjz h PRO 14 Ca -0.12 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.06 2kjz h PRO 14 Cb 1.05 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.13 2kjz h PRO 14 CO 0.83 -0.06 -0.44 -1.35 -0.23 0.00 0.00 178.00 176.74 2kjz h PRO 15 N -0.10 -0.46 -0.30 1.56 0.11 -1.94 0.22 132.00 131.09 2kjz h PRO 15 Ca 0.28 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.28 2kjz h PRO 15 Cb 0.56 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2kjz h PRO 15 CO -0.74 -0.31 -0.39 0.00 -0.21 0.00 0.00 178.00 176.35 2kjz h ALA 16 N 0.11 0.75 0.00 -0.75 0.00 -1.99 -2.71 119.26 114.68 2kjz h ALA 16 Ca 0.08 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2kjz h ALA 16 Cb 0.63 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2kjz h ALA 16 CO -0.43 0.66 -0.58 0.77 0.00 0.00 0.00 179.25 179.67 2kjz h SER 17 N 0.59 0.00 0.33 0.00 0.02 -1.25 -2.26 113.55 110.98 2kjz h SER 17 Ca 0.05 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.67 2kjz h SER 17 Cb 0.92 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.49 2kjz h SER 17 CO 0.08 0.58 -1.45 0.74 -1.14 0.00 0.00 176.83 175.64 2kjz h THR 18 N 0.00 1.31 -0.23 -2.27 2.02 -0.81 -2.40 112.91 110.52 2kjz h THR 18 Ca -0.01 -2.76 -0.09 0.00 0.77 0.00 0.00 66.41 64.32 2kjz h THR 18 Cb 1.32 3.01 -0.01 0.00 -1.74 0.00 0.00 68.15 70.73 2kjz h THR 18 CO 0.08 0.83 -0.24 1.56 0.37 0.00 0.00 175.52 178.11 2kjz h GLN 19 N 0.13 0.43 -0.05 6.66 1.08 -1.55 -0.71 115.11 121.10 2kjz h GLN 19 Ca -0.24 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2kjz h GLN 19 Cb 2.13 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.53 2kjz h GLN 19 CO 0.26 0.65 0.03 0.35 -0.95 0.00 0.00 178.83 179.16 2kjz h PHE 20 N 0.38 0.07 0.00 2.96 3.57 -1.37 -2.68 116.94 119.87 2kjz h PHE 20 Ca 0.06 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 2kjz h PHE 20 Cb 0.64 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2kjz h PHE 20 CO 0.02 0.12 -0.35 1.88 -2.23 0.00 0.00 178.31 177.75 2kjz h TYR 21 N -0.00 0.00 0.01 0.41 -1.99 -1.22 -1.12 116.97 113.06 2kjz h TYR 21 Ca 0.02 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.77 2kjz h TYR 21 Cb 0.07 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 2kjz h TYR 21 CO -0.05 0.35 -0.12 0.87 -0.00 0.00 0.00 178.16 179.21 2kjz h LYS 22 N 0.00 -0.20 0.06 4.88 1.57 -0.80 -1.69 116.57 120.39 2kjz h LYS 22 Ca -0.00 0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.55 2kjz h LYS 22 Cb 0.75 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2kjz h LYS 22 CO 0.04 -0.13 -1.11 0.00 -0.57 0.00 0.00 179.45 177.68 2kjz h ALA 23 N 0.75 0.23 0.27 3.86 0.00 -1.51 -0.08 119.26 122.78 2kjz h ALA 23 Ca 0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 2kjz h ALA 23 Cb 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kjz h ALA 23 CO -0.11 1.12 -0.17 1.25 0.00 0.00 0.00 179.25 181.34 2kjz h LEU 24 N 0.03 -0.42 0.06 0.00 5.85 -1.08 -3.25 115.31 116.51 2kjz h LEU 24 Ca -0.07 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 2kjz h LEU 24 Cb 1.86 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 43.02 2kjz h LEU 24 CO 0.16 -0.27 -0.75 -0.07 -0.34 0.00 0.00 178.44 177.18 2kjz h LEU 25 N -0.42 0.20 0.00 2.25 3.38 -1.48 -3.49 115.31 115.75 2kjz h LEU 25 Ca -0.03 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.07 2kjz h LEU 25 Cb 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kjz h LEU 25 CO 0.03 1.33 0.00 0.61 0.09 0.00 0.00 178.44 180.49 2kjz n GLY 26 N 1.62 1.10 3.46 0.83 0.00 -0.50 -5.10 105.19 106.60 2kjz n GLY 26 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2kjz n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kjz s VAL 27 N -2.00 1.09 -0.02 1.61 -7.23 -0.16 -5.01 120.40 108.69 2kjz s VAL 27 Ca 0.00 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2kjz s VAL 27 Cb 0.00 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 2kjz s VAL 27 CO 0.00 0.00 -0.17 -0.62 -0.31 0.00 0.00 175.10 174.00 2kjz s ASP 28 N -3.50 2.01 -0.33 4.85 2.15 -1.26 -4.34 116.67 116.24 2kjz s ASP 28 Ca 0.35 -0.31 -0.28 0.00 0.43 0.00 0.00 52.55 52.73 2kjz s ASP 28 Cb 0.08 -0.29 -0.03 0.00 -0.30 0.00 0.00 42.92 42.38 2kjz s ASP 28 CO 0.15 0.20 1.92 -2.16 -0.17 0.00 0.00 175.17 175.10 2kjz s PRO 29 N -0.30 3.19 0.21 4.34 0.04 -1.26 -4.65 135.00 136.57 2kjz s PRO 29 Ca 0.04 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.51 2kjz s PRO 29 Cb -0.08 -4.26 0.17 0.00 0.04 0.00 0.00 34.50 30.37 2kjz s PRO 29 CO -0.00 -2.03 1.72 -0.24 0.04 0.00 0.00 177.00 176.49 2kjz h VAL 30 N 6.92 1.26 -3.89 -0.36 3.04 -1.63 -3.43 116.25 118.16 2kjz h VAL 30 Ca -0.34 -0.99 -0.69 0.00 -1.01 0.00 0.00 66.70 63.67 2kjz h VAL 30 Cb 1.19 0.62 -0.21 0.00 -2.01 0.00 0.00 31.29 30.88 2kjz h VAL 30 CO 1.04 0.37 -0.84 -1.61 -1.01 0.00 0.00 177.57 175.52 2kjz s GLU 31 N -5.22 1.61 -0.00 4.17 0.41 -0.69 -5.04 118.70 113.94 2kjz s GLU 31 Ca -0.11 -1.25 -0.29 0.00 -0.41 0.00 0.00 54.97 52.91 2kjz s GLU 31 Cb 0.15 -2.00 0.08 0.00 -1.78 0.00 0.00 34.13 30.58 2kjz s GLU 31 CO 0.84 0.47 0.69 -1.54 -0.49 0.00 0.00 175.26 175.23 2kjz s SER 32 N -1.96 -0.60 0.09 -0.19 1.04 -1.26 -0.97 113.70 109.84 2kjz s SER 32 Ca 0.15 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 56.96 2kjz s SER 32 Cb -0.10 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2kjz s SER 32 CO 0.07 -0.68 0.25 -0.44 0.98 0.00 0.00 173.24 173.41 2kjz s SER 33 N -1.63 0.02 0.57 7.02 0.01 -0.04 -4.95 113.70 114.70 2kjz s SER 33 Ca -0.07 -0.54 0.29 0.00 1.31 0.00 0.00 55.95 56.94 2kjz s SER 33 Cb -0.00 0.37 1.47 0.00 0.21 0.00 0.00 66.02 68.07 2kjz s SER 33 CO 0.03 -0.75 1.92 1.55 0.41 0.00 0.00 173.24 176.39 2kjz h PRO 34 N 2.69 0.00 0.00 12.44 0.13 -2.03 -2.73 132.00 142.50 2kjz h PRO 34 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kjz h PRO 34 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kjz h PRO 34 CO 0.53 0.00 -0.14 -2.37 -0.23 0.00 0.00 178.00 175.80 2kjz n THR 35 N -3.94 0.97 -3.63 1.56 5.66 -1.26 -4.79 114.28 108.84 2kjz n THR 35 Ca 0.11 -1.13 -0.10 0.00 -3.05 0.00 0.00 64.05 59.87 2kjz n THR 35 Cb 0.71 0.26 -0.04 0.00 -1.55 0.00 0.00 70.33 69.71 2kjz n THR 35 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2kjz s PHE 36 N -1.38 -0.25 0.07 1.09 5.36 -1.03 -2.83 117.98 119.02 2kjz s PHE 36 Ca 0.13 -0.06 -0.15 0.00 -0.96 0.00 0.00 56.93 55.89 2kjz s PHE 36 Cb 0.12 0.40 0.03 0.00 -0.34 0.00 0.00 43.02 43.22 2kjz s PHE 36 CO 0.01 -0.84 0.35 0.45 -1.46 0.00 0.00 175.22 173.73 2kjz s SER 37 N -2.82 -0.17 -0.18 6.13 0.15 -0.36 -0.86 113.70 115.58 2kjz s SER 37 Ca 0.05 -0.23 -0.10 0.00 0.70 0.00 0.00 55.95 56.37 2kjz s SER 37 Cb -0.00 0.41 0.06 0.00 -1.71 0.00 0.00 66.02 64.78 2kjz s SER 37 CO -0.08 -0.72 0.43 -0.22 1.20 0.00 0.00 173.24 173.86 2kjz s LEU 38 N -2.38 -0.23 0.00 3.45 1.98 -0.14 -1.30 118.68 120.07 2kjz s LEU 38 Ca -0.01 0.96 0.02 0.00 -2.89 0.00 0.00 54.13 52.20 2kjz s LEU 38 Cb 0.01 1.44 -0.01 0.00 0.66 0.00 0.00 46.19 48.28 2kjz s LEU 38 CO -0.07 -0.20 -0.07 0.72 -1.89 0.00 0.00 176.35 174.84 2kjz s PHE 39 N 1.55 0.60 -0.14 5.38 -0.12 -0.69 -1.47 117.98 123.10 2kjz s PHE 39 Ca -0.09 -0.18 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 2kjz s PHE 39 Cb -0.09 -0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 41.92 2kjz s PHE 39 CO -0.13 -0.02 -0.15 0.08 -0.05 0.00 0.00 175.22 174.95 2kjz s VAL 40 N -0.37 2.81 0.20 -2.49 1.01 -1.26 -1.47 120.40 118.83 2kjz s VAL 40 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 2kjz s VAL 40 Cb -0.04 -2.18 -0.07 0.00 0.00 0.00 0.00 36.38 34.10 2kjz s VAL 40 CO -0.00 0.52 0.54 -0.76 0.00 0.00 0.00 175.10 175.40 2kjz s LEU 41 N 0.56 4.21 0.00 3.92 1.02 -0.64 -4.97 118.68 122.78 2kjz s LEU 41 Ca -0.09 0.93 0.11 0.00 0.02 0.00 0.00 54.13 55.10 2kjz s LEU 41 Cb -0.16 -3.56 0.51 0.00 0.02 0.00 0.00 46.19 43.00 2kjz s LEU 41 CO 0.04 -0.02 1.32 0.00 0.02 0.00 0.00 176.35 177.71 2kjz n ALA 42 N 0.10 1.57 0.30 4.21 0.00 -1.26 -1.95 120.51 123.48 2kjz n ALA 42 Ca -0.01 -0.04 0.19 0.00 0.00 0.00 0.00 53.44 53.58 2kjz n ALA 42 Cb 0.52 -1.18 0.88 0.00 0.00 0.00 0.00 19.45 19.68 2kjz n ALA 42 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kjz h ASN 43 N 0.00 0.00 0.00 0.00 4.21 -2.05 -3.46 115.58 114.28 2kjz h ASN 43 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kjz h ASN 43 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2kjz h ASN 43 CO 0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 2kjz n GLY 44 N -0.46 0.82 3.81 2.83 0.00 -0.82 -5.10 105.19 106.27 2kjz n GLY 44 Ca -0.01 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 2kjz n GLY 44 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kjz s MET 45 N -0.65 2.24 0.00 1.61 0.23 -1.24 -5.02 119.30 116.47 2kjz s MET 45 Ca 0.00 -2.01 0.00 0.00 -1.03 0.00 0.00 55.69 52.66 2kjz s MET 45 Cb 0.00 -1.95 -0.00 0.00 -1.53 0.00 0.00 34.83 31.35 2kjz s MET 45 CO 0.00 -0.35 -0.01 0.21 -2.03 0.00 0.00 175.02 172.84 2kjz s LYS 46 N -4.04 0.11 -0.03 3.16 2.20 -0.25 -1.63 119.74 119.25 2kjz s LYS 46 Ca 0.32 -0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 55.82 2kjz s LYS 46 Cb 0.01 -0.07 0.03 0.00 -1.51 0.00 0.00 37.83 36.29 2kjz s LYS 46 CO 0.18 0.02 0.05 -1.17 -0.36 0.00 0.00 175.35 174.07 2kjz s LEU 47 N -0.16 0.44 0.25 5.43 0.20 -0.54 -1.72 118.68 122.58 2kjz s LEU 47 Ca -0.01 0.07 0.07 0.00 0.69 0.00 0.00 54.13 54.95 2kjz s LEU 47 Cb -0.01 -0.11 -0.03 0.00 -0.43 0.00 0.00 46.19 45.60 2kjz s LEU 47 CO -0.00 -0.21 0.24 -0.83 -0.29 0.00 0.00 176.35 175.25 2kjz s GLY 48 N 1.82 1.39 -0.27 7.98 0.00 -0.41 -1.70 107.32 116.13 2kjz s GLY 48 Ca 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.34 2kjz s GLY 48 CO -0.03 -1.42 -0.01 1.08 0.00 0.00 0.00 173.10 172.72 2kjz s LEU 49 N -3.88 2.85 -0.23 0.66 1.43 -0.42 -1.68 118.68 117.41 2kjz s LEU 49 Ca 0.34 -1.42 -0.07 0.00 -1.03 0.00 0.00 54.13 51.94 2kjz s LEU 49 Cb -0.08 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 2kjz s LEU 49 CO 0.26 -0.30 0.07 0.86 0.23 0.00 0.00 176.35 177.48 2kjz s TRP 50 N 1.36 3.14 0.11 0.29 -0.11 -1.04 -1.23 118.94 121.46 2kjz s TRP 50 Ca 0.00 -0.23 -0.31 0.00 1.22 0.00 0.00 56.10 56.78 2kjz s TRP 50 Cb -0.19 -2.19 -0.07 0.00 -1.50 0.00 0.00 33.47 29.52 2kjz s TRP 50 CO -0.10 -0.19 1.32 0.45 -4.62 0.00 0.00 176.95 173.81 2kjz s SER 51 N 1.23 6.92 0.57 5.86 0.15 -1.13 -1.67 113.70 125.63 2kjz s SER 51 Ca 0.05 2.25 0.35 0.00 0.70 0.00 0.00 55.95 59.29 2kjz s SER 51 Cb -0.14 -2.59 1.70 0.00 -1.71 0.00 0.00 66.02 63.28 2kjz s SER 51 CO 0.04 -0.57 2.13 0.08 1.20 0.00 0.00 173.24 176.11 2kjz h ARG 52 N 6.54 0.00 0.00 5.44 0.11 -1.34 -1.75 114.38 123.37 2kjz h ARG 52 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 2kjz h ARG 52 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2kjz h ARG 52 CO 0.83 0.05 0.00 -2.39 0.10 0.00 0.00 179.97 178.56 2kjz n HIS 53 N -3.28 0.00 -0.59 4.08 1.44 -1.26 -3.28 115.22 112.33 2kjz n HIS 53 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2kjz n HIS 53 Cb 0.22 -0.41 0.00 0.00 0.12 0.00 0.00 29.99 29.91 2kjz n HIS 53 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 2kjz n THR 54 N -1.41 0.37 -2.39 0.61 5.66 -0.71 -5.07 114.28 111.34 2kjz n THR 54 Ca 0.08 -0.39 -0.37 0.00 -3.05 0.00 0.00 64.05 60.32 2kjz n THR 54 Cb 0.25 0.86 -0.02 0.00 -1.55 0.00 0.00 70.33 69.86 2kjz n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kjz s VAL 55 N -0.37 3.38 -0.15 1.08 0.11 -0.90 -4.97 120.40 118.57 2kjz s VAL 55 Ca 0.00 1.07 -0.00 0.00 -2.93 0.00 0.00 61.98 60.11 2kjz s VAL 55 Cb 0.00 -3.56 0.03 0.00 -1.53 0.00 0.00 36.38 31.33 2kjz s VAL 55 CO 0.00 0.02 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.09 2kjz s GLU 56 N -2.53 1.75 0.34 1.54 2.02 -1.26 -2.41 118.70 118.15 2kjz s GLU 56 Ca 0.60 -0.49 -0.27 0.00 0.02 0.00 0.00 54.97 54.82 2kjz s GLU 56 Cb -0.26 -1.95 -0.09 0.00 0.10 0.00 0.00 34.13 31.92 2kjz s GLU 56 CO 0.32 -0.33 1.19 -1.25 0.02 0.00 0.00 175.26 175.21 2kjz s PRO 57 N 1.59 4.31 0.04 0.39 0.04 -1.26 -5.11 135.00 135.00 2kjz s PRO 57 Ca 0.03 1.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 2kjz s PRO 57 Cb -0.14 -2.94 -0.08 0.00 0.04 0.00 0.00 34.50 31.38 2kjz s PRO 57 CO -0.09 -0.13 1.77 0.21 0.04 0.00 0.00 177.00 178.80 2kjz s LYS 58 N -1.90 4.17 -0.20 4.56 2.47 -1.01 -4.99 119.74 122.83 2kjz s LYS 58 Ca 0.51 2.41 -0.04 0.00 -1.56 0.00 0.00 55.97 57.29 2kjz s LYS 58 Cb -0.34 -3.86 0.09 0.00 -1.46 0.00 0.00 37.83 32.26 2kjz s LYS 58 CO 0.44 -0.84 0.21 0.00 0.16 0.00 0.00 175.35 175.32 2kjz s ALA 59 N 3.53 -0.20 -1.10 3.13 0.00 -1.26 -5.08 121.76 120.79 2kjz s ALA 59 Ca 0.79 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 52.73 2kjz s ALA 59 Cb -0.40 -1.31 0.11 0.00 0.00 0.00 0.00 23.12 21.52 2kjz s ALA 59 CO 0.35 -1.23 1.41 -1.54 0.00 0.00 0.00 175.76 174.74 2kjz s SER 60 N 2.31 6.75 0.01 0.00 1.04 -1.26 -4.82 113.70 117.74 2kjz s SER 60 Ca 0.07 -2.22 -0.00 0.00 0.48 0.00 0.00 55.95 54.27 2kjz s SER 60 Cb -0.16 -2.48 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 2kjz s SER 60 CO -0.13 -1.11 -0.02 -0.69 0.98 0.00 0.00 173.24 172.27 2kjz s VAL 61 N 3.26 0.08 -0.09 5.02 1.01 -1.26 -5.15 120.40 123.28 2kjz s VAL 61 Ca 0.43 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 2kjz s VAL 61 Cb -0.01 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.21 2kjz s VAL 61 CO -0.04 -0.38 0.18 0.42 0.00 0.00 0.00 175.10 175.28 2kjz s THR 62 N -1.11 -0.25 0.00 3.92 -4.23 -1.26 -4.89 115.64 107.82 2kjz s THR 62 Ca -0.12 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 2kjz s THR 62 Cb -0.08 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.45 2kjz s THR 62 CO -0.01 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2kjz n GLY 63 N 5.14 0.75 0.21 3.99 0.00 -0.55 -4.90 105.19 109.83 2kjz n GLY 63 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 2kjz n GLY 63 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kjz h GLY 64 N 0.00 0.49 0.00 -0.02 0.00 -1.90 -3.49 103.07 98.16 2kjz h GLY 64 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2kjz h GLY 64 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 176.54 177.61 2kjz n GLY 65 N -0.01 1.70 1.02 4.60 0.00 -1.26 -5.14 105.19 106.10 2kjz n GLY 65 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2kjz n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjz n GLY 66 N 0.00 -2.89 3.13 -0.02 0.00 -1.26 -4.57 105.19 99.58 2kjz n GLY 66 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2kjz n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kjz s GLU 67 N -1.99 2.43 -0.37 1.61 2.02 -1.26 -2.30 118.70 118.84 2kjz s GLU 67 Ca 0.00 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.32 2kjz s GLU 67 Cb 0.00 -1.89 0.10 0.00 0.10 0.00 0.00 34.13 32.44 2kjz s GLU 67 CO 0.00 0.11 0.12 -1.17 0.02 0.00 0.00 175.26 174.34 2kjz s LEU 68 N 0.48 4.87 -0.45 1.80 2.96 -0.13 -4.96 118.68 123.24 2kjz s LEU 68 Ca -0.17 -1.96 -0.23 0.00 -0.22 0.00 0.00 54.13 51.55 2kjz s LEU 68 Cb -0.17 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.81 2kjz s LEU 68 CO 0.07 -0.44 0.80 0.00 -1.32 0.00 0.00 176.35 175.46 2kjz s ALA 69 N 1.07 3.28 -0.50 5.97 0.00 -1.26 -0.49 121.76 129.84 2kjz s ALA 69 Ca 0.07 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 2kjz s ALA 69 Cb -0.21 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.45 2kjz s ALA 69 CO -0.05 -1.95 0.79 -0.06 0.00 0.00 0.00 175.76 174.48 2kjz s PHE 70 N 3.35 2.94 -0.07 0.00 0.40 0.30 -4.95 117.98 119.95 2kjz s PHE 70 Ca 0.31 -0.07 -0.22 0.00 -0.60 0.00 0.00 56.93 56.34 2kjz s PHE 70 Cb -0.12 -3.74 -0.04 0.00 0.51 0.00 0.00 43.02 39.63 2kjz s PHE 70 CO 0.23 -1.11 0.64 1.03 0.70 0.00 0.00 175.22 176.71 2kjz s ARG 71 N 3.32 4.40 0.15 0.44 0.52 -1.26 -2.45 118.95 124.06 2kjz s ARG 71 Ca 0.26 0.76 0.05 0.00 -0.52 0.00 0.00 55.73 56.28 2kjz s ARG 71 Cb -0.14 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 2kjz s ARG 71 CO 0.19 0.13 -0.11 0.14 0.02 0.00 0.00 175.30 175.67 2kjz s VAL 72 N 0.61 1.21 0.31 3.52 -7.23 -1.20 -5.01 120.40 112.61 2kjz s VAL 72 Ca 0.34 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2kjz s VAL 72 Cb -0.17 -1.80 0.10 0.00 0.56 0.00 0.00 36.38 35.07 2kjz s VAL 72 CO 0.16 -0.69 1.78 1.05 -0.31 0.00 0.00 175.10 177.09 2kjz h GLU 73 N 2.89 0.46 0.00 4.82 4.11 -1.96 -3.42 114.58 121.48 2kjz h GLU 73 Ca -0.37 -0.15 0.06 0.00 0.07 0.00 0.00 59.36 58.97 2kjz h GLU 73 Cb 1.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2kjz h GLU 73 CO 0.61 0.63 0.42 0.27 0.07 0.00 0.00 179.01 181.01 2kjz n ASN 74 N -4.18 -2.05 0.24 3.06 0.23 -1.26 -4.85 115.26 106.46 2kjz n ASN 74 Ca 0.00 -2.28 0.07 0.00 -0.53 0.00 0.00 54.58 51.84 2kjz n ASN 74 Cb 0.35 3.38 0.56 0.00 -2.08 0.00 0.00 39.78 41.99 2kjz n ASN 74 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2kjz h ASP 75 N 1.98 0.00 -0.33 0.53 2.03 -1.91 -1.98 116.42 116.74 2kjz h ASP 75 Ca -0.31 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.85 2kjz h ASP 75 Cb 1.22 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2kjz h ASP 75 CO 0.40 0.12 -0.34 0.00 -1.03 0.00 0.00 179.24 178.40 2kjz h ALA 76 N 1.88 0.48 0.00 4.15 0.00 -2.00 -2.86 119.26 120.91 2kjz h ALA 76 Ca -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2kjz h ALA 76 Cb 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kjz h ALA 76 CO 0.02 0.54 -0.08 1.96 0.00 0.00 0.00 179.25 181.69 2kjz h GLN 77 N 0.58 0.00 -0.38 0.00 1.08 -1.78 -1.04 115.11 113.57 2kjz h GLN 77 Ca 0.05 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 2kjz h GLN 77 Cb 0.92 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 2kjz h GLN 77 CO 0.08 0.08 -0.16 0.28 -0.95 0.00 0.00 178.83 178.16 2kjz h VAL 78 N 0.00 1.28 0.00 -0.54 2.07 -1.40 -2.78 116.25 114.88 2kjz h VAL 78 Ca -0.00 -1.28 -0.16 0.00 0.82 0.00 0.00 66.70 66.08 2kjz h VAL 78 Cb 0.27 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2kjz h VAL 78 CO 0.01 0.42 -0.75 -0.78 0.02 0.00 0.00 177.57 176.50 2kjz h ASP 79 N 0.57 0.00 -0.21 0.57 3.58 -1.13 -0.49 116.42 119.31 2kjz h ASP 79 Ca 0.09 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 2kjz h ASP 79 Cb 0.70 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 2kjz h ASP 79 CO 0.05 0.75 0.01 -0.33 -2.88 0.00 0.00 179.24 176.84 2kjz h GLU 80 N 0.00 0.37 -0.20 0.28 5.08 -1.28 -2.54 114.58 116.28 2kjz h GLU 80 Ca -0.01 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2kjz h GLU 80 Cb 1.35 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2kjz h GLU 80 CO 0.10 0.55 -0.17 1.15 -1.00 0.00 0.00 179.01 179.64 2kjz h THR 81 N 0.14 1.22 0.76 1.13 2.02 -1.36 -2.04 112.91 114.77 2kjz h THR 81 Ca 0.06 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 2kjz h THR 81 Cb 0.38 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2kjz h THR 81 CO 0.01 0.31 -0.43 0.15 0.37 0.00 0.00 175.52 175.93 2kjz h PHE 82 N 0.31 -1.13 -0.33 3.16 3.04 -0.97 -2.72 116.94 118.30 2kjz h PHE 82 Ca 0.06 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.90 2kjz h PHE 82 Cb 0.48 0.40 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 2kjz h PHE 82 CO 0.01 -0.66 -0.17 0.00 -2.02 0.00 0.00 178.31 175.47 2kjz h ALA 83 N -1.33 1.09 -0.28 2.41 0.00 -1.43 -1.65 119.26 118.07 2kjz h ALA 83 Ca -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2kjz h ALA 83 Cb 0.87 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2kjz h ALA 83 CO 0.13 0.56 0.13 0.78 0.00 0.00 0.00 179.25 180.84 2kjz h GLY 84 N 0.98 0.44 0.99 0.00 0.00 -1.42 -1.44 103.07 102.61 2kjz h GLY 84 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2kjz h GLY 84 CO 0.04 0.21 0.27 1.49 0.00 0.00 0.00 176.54 178.55 2kjz h TRP 85 N 0.31 0.84 -0.72 5.60 4.06 -1.30 -1.80 115.95 122.95 2kjz h TRP 85 Ca 0.10 -0.04 0.03 0.00 2.06 0.00 0.00 58.89 61.03 2kjz h TRP 85 Cb 0.14 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.00 2kjz h TRP 85 CO -0.02 0.65 0.45 -0.22 -3.56 0.00 0.00 178.44 175.74 2kjz h LYS 86 N 0.78 0.85 0.00 0.49 3.64 -1.13 -0.88 116.57 120.32 2kjz h LYS 86 Ca 0.20 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2kjz h LYS 86 Cb 0.13 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2kjz h LYS 86 CO -0.02 0.56 -0.28 0.00 -2.27 0.00 0.00 179.45 177.44 2kjz h ALA 87 N 1.31 0.96 -0.02 5.00 0.00 -1.17 -3.08 119.26 122.27 2kjz h ALA 87 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kjz h ALA 87 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kjz h ALA 87 CO -0.11 0.35 -0.01 0.45 0.00 0.00 0.00 179.25 179.93 2kjz n SER 88 N -3.38 1.67 -0.16 0.00 2.88 -0.51 -4.95 113.62 109.17 2kjz n SER 88 Ca 0.00 -1.54 0.00 0.00 -1.33 0.00 0.00 58.87 56.01 2kjz n SER 88 Cb 0.49 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2kjz n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kjz n GLY 89 N 1.20 1.00 3.83 0.46 0.00 -0.45 -5.04 105.19 106.20 2kjz n GLY 89 Ca 0.18 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2kjz n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kjz s VAL 90 N -2.32 4.68 0.05 1.61 1.01 -0.83 -4.66 120.40 119.94 2kjz s VAL 90 Ca 0.00 1.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.82 2kjz s VAL 90 Cb 0.00 -3.79 -0.17 0.00 0.00 0.00 0.00 36.38 32.42 2kjz s VAL 90 CO 0.00 0.18 1.55 0.00 0.00 0.00 0.00 175.10 176.83 2kjz h ALA 91 N 3.33 -0.12 -4.61 5.51 0.00 -1.32 -3.44 119.26 118.60 2kjz h ALA 91 Ca -0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2kjz h ALA 91 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kjz h ALA 91 CO 0.65 -0.49 -0.45 -0.12 0.00 0.00 0.00 179.25 178.85 2kjz n MET 92 N -5.07 -1.92 -3.81 0.00 0.00 -0.99 -4.94 117.12 100.40 2kjz n MET 92 Ca -0.08 1.79 -0.29 0.00 0.00 0.00 0.00 57.70 59.12 2kjz n MET 92 Cb 0.14 -4.42 -0.12 0.00 0.00 0.00 0.00 33.22 28.81 2kjz n MET 92 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2kjz s LEU 93 N -1.91 3.88 0.00 -0.89 -0.00 -1.26 -4.94 118.68 113.56 2kjz s LEU 93 Ca 0.14 -3.35 0.00 0.00 -0.00 0.00 0.00 54.13 50.91 2kjz s LEU 93 Cb -0.04 -1.37 0.00 0.00 -0.00 0.00 0.00 46.19 44.78 2kjz s LEU 93 CO 0.56 -0.16 0.00 1.67 -0.00 0.00 0.00 176.35 178.42 2kjz n GLN 94 N 2.61 0.00 -2.83 1.48 -0.06 -1.26 -4.91 117.38 112.40 2kjz n GLN 94 Ca 0.16 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.74 2kjz n GLN 94 Cb 0.36 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.50 2kjz n GLN 94 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2kjz s GLN 95 N -0.88 4.26 -0.47 3.69 -0.21 -1.26 -4.83 119.66 119.96 2kjz s GLN 95 Ca 0.00 1.08 -0.27 0.00 0.02 0.00 0.00 55.36 56.19 2kjz s GLN 95 Cb 0.00 -3.61 -0.05 0.00 1.00 0.00 0.00 33.01 30.35 2kjz s GLN 95 CO 0.00 -0.45 2.21 -1.25 -2.12 0.00 0.00 175.29 173.68 2kjz s PRO 96 N 2.56 2.46 0.10 2.91 0.04 -1.26 -4.83 135.00 136.98 2kjz s PRO 96 Ca 0.39 1.31 0.08 0.00 0.04 0.00 0.00 61.00 62.81 2kjz s PRO 96 Cb -0.16 -4.48 -0.03 0.00 0.04 0.00 0.00 34.50 29.87 2kjz s PRO 96 CO 0.10 -2.88 -0.20 0.00 0.04 0.00 0.00 177.00 174.06 2kjz s ALA 97 N 10.53 1.69 -0.62 8.56 0.00 -0.39 -4.93 121.76 136.60 2kjz s ALA 97 Ca 0.89 -1.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.39 2kjz s ALA 97 Cb -0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2kjz s ALA 97 CO 0.27 0.32 1.75 0.15 0.00 0.00 0.00 175.76 178.25 2kjz s LYS 98 N -1.88 2.78 0.64 0.00 -0.14 -1.26 -1.48 119.74 118.40 2kjz s LYS 98 Ca 0.05 0.51 0.00 0.00 -1.36 0.00 0.00 55.97 55.17 2kjz s LYS 98 Cb -0.10 -4.33 0.08 0.00 -1.68 0.00 0.00 37.83 31.80 2kjz s LYS 98 CO 0.04 -2.56 0.90 1.41 -0.76 0.00 0.00 175.35 174.37 2kjz s MET 99 N 6.69 2.09 0.40 1.68 -2.45 0.11 -4.95 119.30 122.88 2kjz s MET 99 Ca 0.62 -0.93 0.08 0.00 -1.25 0.00 0.00 55.69 54.21 2kjz s MET 99 Cb -0.12 -2.40 0.87 0.00 1.25 0.00 0.00 34.83 34.43 2kjz s MET 99 CO 0.21 -1.11 2.02 1.49 1.05 0.00 0.00 175.02 178.68 2kjz h GLU 100 N -0.26 0.55 -0.01 4.11 4.57 -2.02 -2.05 114.58 119.48 2kjz h GLU 100 Ca -0.39 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2kjz h GLU 100 Cb 1.28 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2kjz h GLU 100 CO 0.46 0.37 -0.21 1.19 -1.18 0.00 0.00 179.01 179.64 2kjz n PHE 101 N -4.47 0.00 0.00 0.92 3.72 -1.26 -4.84 117.46 111.53 2kjz n PHE 101 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2kjz n PHE 101 Cb 0.17 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2kjz n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kjz n GLY 102 N 1.33 0.55 3.56 1.37 0.00 -0.77 -2.80 105.19 108.43 2kjz n GLY 102 Ca 0.12 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 2kjz n GLY 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kjz s TYR 103 N -0.86 2.08 0.07 1.61 5.04 -0.08 -0.71 117.35 124.50 2kjz s TYR 103 Ca 0.00 0.42 0.04 0.00 -2.44 0.00 0.00 57.07 55.09 2kjz s TYR 103 Cb 0.00 -4.36 -0.04 0.00 0.35 0.00 0.00 41.96 37.91 2kjz s TYR 103 CO 0.00 -2.14 0.02 -0.08 -1.34 0.00 0.00 175.55 172.02 2kjz s THR 104 N 6.88 4.19 -0.06 4.34 -1.32 -0.55 -0.76 115.64 128.36 2kjz s THR 104 Ca 0.53 -0.87 -0.06 0.00 -1.21 0.00 0.00 61.69 60.08 2kjz s THR 104 Cb -0.11 -2.99 0.02 0.00 -1.51 0.00 0.00 72.50 67.91 2kjz s THR 104 CO 0.21 0.16 0.17 0.12 -2.21 0.00 0.00 174.62 173.07 2kjz s PHE 105 N -1.30 -0.17 -0.04 9.09 5.36 0.34 -1.26 117.98 130.00 2kjz s PHE 105 Ca 0.26 0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.65 2kjz s PHE 105 Cb -0.12 0.06 0.03 0.00 -0.34 0.00 0.00 43.02 42.64 2kjz s PHE 105 CO 0.18 -0.10 -0.01 0.99 -1.46 0.00 0.00 175.22 174.82 2kjz s THR 106 N 0.01 0.29 0.45 0.12 2.01 -1.26 0.03 115.64 117.29 2kjz s THR 106 Ca -0.01 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.12 2kjz s THR 106 Cb -0.02 -0.38 -0.00 0.00 0.01 0.00 0.00 72.50 72.11 2kjz s THR 106 CO 0.00 0.19 0.43 0.00 -0.69 0.00 0.00 174.62 174.55 2kjz s ALA 107 N 1.20 4.20 -0.07 7.40 0.00 -0.41 -4.25 121.76 129.84 2kjz s ALA 107 Ca -0.07 -1.80 -0.01 0.00 0.00 0.00 0.00 51.96 50.08 2kjz s ALA 107 Cb -0.13 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 21.97 2kjz s ALA 107 CO -0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 175.76 175.42 2kjz s ALA 108 N -2.53 0.69 1.00 0.00 0.00 -1.26 -1.70 121.76 117.97 2kjz s ALA 108 Ca 0.48 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 2kjz s ALA 108 Cb -0.04 -0.69 0.21 0.00 0.00 0.00 0.00 23.12 22.60 2kjz s ALA 108 CO 0.28 -0.39 1.27 0.16 0.00 0.00 0.00 175.76 177.08 2kjz s ASP 109 N 1.81 2.75 0.32 0.00 -4.77 -1.26 -0.99 116.67 114.53 2kjz s ASP 109 Ca 0.03 0.39 0.09 0.00 -3.30 0.00 0.00 52.55 49.75 2kjz s ASP 109 Cb -0.13 -0.51 0.96 0.00 -1.09 0.00 0.00 42.92 42.15 2kjz s ASP 109 CO -0.05 -2.97 1.60 -0.65 0.70 0.00 0.00 175.17 173.81 2kjz h PRO 110 N -1.80 0.09 -0.00 2.11 0.11 -1.96 0.14 132.00 130.68 2kjz h PRO 110 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kjz h PRO 110 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2kjz h PRO 110 CO 0.39 0.06 -0.35 -0.25 -0.21 0.00 0.00 178.00 177.64 2kjz n ASP 111 N -5.31 0.59 -2.46 -2.05 9.92 -1.26 -5.02 116.55 110.96 2kjz n ASP 111 Ca 0.28 -0.38 -0.02 0.00 -0.53 0.00 0.00 54.79 54.14 2kjz n ASP 111 Cb 0.92 0.12 0.00 0.00 -0.64 0.00 0.00 41.12 41.52 2kjz n ASP 111 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2kjz n SER 112 N -1.22 -6.66 -4.25 -2.24 7.64 0.03 -3.87 113.62 103.05 2kjz n SER 112 Ca 0.08 0.95 -0.26 0.00 1.01 0.00 0.00 58.87 60.65 2kjz n SER 112 Cb 0.33 -4.37 -0.14 0.00 -1.01 0.00 0.00 64.21 59.02 2kjz n SER 112 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kjz s HIS 113 N -1.50 1.85 -0.84 1.43 3.76 -1.26 -1.49 115.29 117.24 2kjz s HIS 113 Ca 0.05 -0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 54.33 2kjz s HIS 113 Cb -0.01 -1.11 0.01 0.00 1.11 0.00 0.00 32.58 32.57 2kjz s HIS 113 CO 0.60 0.08 1.58 1.03 -0.85 0.00 0.00 174.74 177.18 2kjz s ARG 114 N -1.08 3.08 -0.63 1.40 0.52 -0.97 -4.03 118.95 117.23 2kjz s ARG 114 Ca 0.08 -0.37 -0.20 0.00 -0.52 0.00 0.00 55.73 54.72 2kjz s ARG 114 Cb -0.09 -4.78 0.10 0.00 0.52 0.00 0.00 34.95 30.70 2kjz s ARG 114 CO 0.01 -2.54 0.80 -0.51 0.02 0.00 0.00 175.30 173.09 2kjz s LEU 115 N 7.04 5.14 -0.67 2.53 1.43 -0.69 -0.95 118.68 132.51 2kjz s LEU 115 Ca 0.52 -1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 2kjz s LEU 115 Cb -0.06 -2.34 0.15 0.00 0.03 0.00 0.00 46.19 43.98 2kjz s LEU 115 CO 0.05 -1.19 0.67 -0.60 0.23 0.00 0.00 176.35 175.51 2kjz s ARG 116 N 2.99 3.24 -0.25 1.70 3.00 0.36 -1.29 118.95 128.69 2kjz s ARG 116 Ca 0.16 -1.88 -0.20 0.00 -1.00 0.00 0.00 55.73 52.81 2kjz s ARG 116 Cb -0.21 -4.38 -0.02 0.00 0.00 0.00 0.00 34.95 30.34 2kjz s ARG 116 CO 0.06 -1.39 0.59 0.08 0.00 0.00 0.00 175.30 174.64 2kjz s VAL 117 N 1.43 5.01 0.13 7.11 1.01 0.10 -0.54 120.40 134.66 2kjz s VAL 117 Ca 0.12 1.05 0.04 0.00 0.00 0.00 0.00 61.98 63.19 2kjz s VAL 117 Cb -0.21 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2kjz s VAL 117 CO -0.01 0.05 -0.10 -0.72 0.00 0.00 0.00 175.10 174.32 2kjz s TYR 118 N 2.42 1.21 -0.23 5.22 1.13 -1.03 -0.50 117.35 125.57 2kjz s TYR 118 Ca 0.25 -0.75 0.02 0.00 -1.41 0.00 0.00 57.07 55.17 2kjz s TYR 118 Cb -0.16 -0.63 0.05 0.00 -1.10 0.00 0.00 41.96 40.13 2kjz s TYR 118 CO 0.09 0.05 -0.11 0.00 -2.51 0.00 0.00 175.55 173.07 2kjz s ALA 119 N -3.19 2.32 0.05 9.51 0.00 0.06 -3.23 121.76 127.28 2kjz s ALA 119 Ca 0.14 -1.52 -0.31 0.00 0.00 0.00 0.00 51.96 50.28 2kjz s ALA 119 Cb 0.02 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 2kjz s ALA 119 CO 0.00 -1.03 1.21 0.12 0.00 0.00 0.00 175.76 176.07 2kjz s PHE 120 N 1.23 3.38 -0.61 0.00 5.36 -1.26 -0.91 117.98 125.17 2kjz s PHE 120 Ca -0.05 1.26 -0.25 0.00 -0.96 0.00 0.00 56.93 56.93 2kjz s PHE 120 Cb -0.18 -3.44 0.05 0.00 -0.34 0.00 0.00 43.02 39.11 2kjz s PHE 120 CO -0.07 -1.36 1.03 0.00 -1.46 0.00 0.00 175.22 173.36 2kjz s ALA 121 N 1.25 3.07 0.00 11.12 0.00 -1.12 -4.94 121.76 131.14 2kjz s ALA 121 Ca 0.59 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2kjz s ALA 121 Cb -0.29 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2kjz s ALA 121 CO 0.28 -2.66 0.00 0.41 0.00 0.00 0.00 175.76 173.79