#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 5.18 -0.41 3.17 2.01 -1.26 -5.07 115.64 119.26 2kjz s THR 2 Ca 0.00 0.55 -0.16 0.00 0.31 0.00 0.00 61.69 62.39 2kjz s THR 2 Cb 0.00 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.92 2kjz s THR 2 CO 0.00 0.51 0.34 -1.00 -0.69 0.00 0.00 174.62 173.78 2kjz s HIS 3 N -1.15 3.22 -0.71 4.92 0.09 -1.26 -5.04 115.29 115.35 2kjz s HIS 3 Ca 0.24 -0.51 -0.20 0.00 -0.00 0.00 0.00 55.06 54.59 2kjz s HIS 3 Cb -0.15 -2.68 0.10 0.00 -0.00 0.00 0.00 32.58 29.85 2kjz s HIS 3 CO 0.12 -0.62 0.92 -1.25 -0.00 0.00 0.00 174.74 173.92 2kjz s PRO 4 N 1.82 3.23 -0.02 8.40 0.04 -1.26 -4.84 135.00 142.37 2kjz s PRO 4 Ca 0.07 -1.28 0.11 0.00 0.04 0.00 0.00 61.00 59.94 2kjz s PRO 4 Cb -0.18 -4.42 0.36 0.00 0.04 0.00 0.00 34.50 30.29 2kjz s PRO 4 CO 0.11 -1.71 1.26 -0.40 0.04 0.00 0.00 177.00 176.30 2kjz n ASP 5 N 6.86 2.33 -3.97 6.66 5.75 -1.26 -4.89 116.55 128.02 2kjz n ASP 5 Ca 0.02 -2.09 -0.20 0.00 -0.01 0.00 0.00 54.79 52.51 2kjz n ASP 5 Cb 0.45 -0.32 -0.16 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.57 0.86 0.00 2.11 5.36 -1.26 -1.28 117.98 122.20 2kjz s PHE 6 Ca 0.26 -0.21 0.01 0.00 -0.96 0.00 0.00 56.93 56.03 2kjz s PHE 6 Cb 0.15 -0.63 -0.00 0.00 -0.34 0.00 0.00 43.02 42.19 2kjz s PHE 6 CO 0.16 -0.11 -0.04 -0.08 -1.46 0.00 0.00 175.22 173.69 2kjz s THR 7 N 0.30 0.30 -0.00 0.12 -1.32 -0.86 -5.00 115.64 109.18 2kjz s THR 7 Ca -0.04 -0.23 0.08 0.00 -1.21 0.00 0.00 61.69 60.29 2kjz s THR 7 Cb -0.09 -0.27 -0.02 0.00 -1.51 0.00 0.00 72.50 70.61 2kjz s THR 7 CO 0.00 0.04 -0.25 -0.63 -2.21 0.00 0.00 174.62 171.58 2kjz s ILE 8 N -0.19 2.22 -0.09 5.08 1.01 -1.26 -1.38 121.20 126.58 2kjz s ILE 8 Ca 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 60.65 59.49 2kjz s ILE 8 Cb -0.02 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2kjz s ILE 8 CO -0.00 0.50 -0.05 -0.76 0.00 0.00 0.00 174.94 174.63 2kjz s LEU 9 N -0.85 3.24 0.05 2.97 2.01 -1.05 -4.93 118.68 120.11 2kjz s LEU 9 Ca 0.11 -0.02 -0.28 0.00 0.01 0.00 0.00 54.13 53.95 2kjz s LEU 9 Cb -0.10 -1.72 -0.05 0.00 0.01 0.00 0.00 46.19 44.33 2kjz s LEU 9 CO 0.00 0.33 0.91 -0.72 1.01 0.00 0.00 176.35 177.88 2kjz s TYR 10 N -0.59 3.73 0.15 0.29 1.13 -1.26 -1.90 117.35 118.91 2kjz s TYR 10 Ca 0.09 1.66 0.05 0.00 -1.41 0.00 0.00 57.07 57.46 2kjz s TYR 10 Cb -0.12 -3.01 -0.04 0.00 -1.10 0.00 0.00 41.96 37.70 2kjz s TYR 10 CO 0.02 0.15 -0.11 0.14 -2.51 0.00 0.00 175.55 173.23 2kjz s VAL 11 N 0.34 1.26 -0.18 -3.49 -7.23 -0.52 -4.91 120.40 105.67 2kjz s VAL 11 Ca 0.46 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.49 2kjz s VAL 11 Cb -0.22 -1.78 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 2kjz s VAL 11 CO 0.27 -0.65 -0.22 -0.67 -0.31 0.00 0.00 175.10 173.51 2kjz n ASP 12 N -0.04 1.89 -4.40 4.85 2.03 -1.26 -0.54 116.55 119.08 2kjz n ASP 12 Ca -0.11 0.45 -0.44 0.00 0.52 0.00 0.00 54.79 55.20 2kjz n ASP 12 Cb 0.60 -0.83 -0.04 0.00 -0.72 0.00 0.00 41.12 40.13 2kjz n ASP 12 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kjz s ASN 13 N -6.20 6.22 0.15 1.67 0.01 -1.26 -4.77 114.94 110.76 2kjz s ASN 13 Ca -0.26 -1.40 -0.26 0.00 -0.71 0.00 0.00 52.86 50.23 2kjz s ASN 13 Cb 0.05 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.38 2kjz s ASN 13 CO 0.39 -1.18 1.59 -0.65 -1.51 0.00 0.00 177.10 175.74 2kjz h PRO 14 N 9.22 -0.34 0.49 -0.60 0.11 -1.88 -2.47 132.00 136.53 2kjz h PRO 14 Ca -0.25 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 2kjz h PRO 14 Cb 1.08 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kjz h PRO 14 CO 1.11 -0.23 -0.24 -1.00 -0.21 0.00 0.00 178.00 177.43 2kjz h PRO 15 N -0.35 -0.64 0.00 1.05 0.13 -1.95 -2.63 132.00 127.61 2kjz h PRO 15 Ca 0.13 0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2kjz h PRO 15 Cb 0.57 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2kjz h PRO 15 CO -0.48 -0.43 -0.00 0.00 -0.23 0.00 0.00 178.00 176.86 2kjz h ALA 16 N -0.15 -0.01 0.00 -0.56 0.00 -1.99 -2.35 119.26 114.21 2kjz h ALA 16 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kjz h ALA 16 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kjz h ALA 16 CO 0.11 -0.44 0.00 0.66 0.00 0.00 0.00 179.25 179.57 2kjz h SER 17 N -0.12 0.00 0.18 0.00 4.64 -1.54 -2.34 113.55 114.37 2kjz h SER 17 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 2kjz h SER 17 Cb 0.12 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2kjz h SER 17 CO 0.00 0.00 -1.12 0.74 -0.87 0.00 0.00 176.83 175.58 2kjz h THR 18 N 0.00 1.33 -0.01 2.95 2.02 -1.20 -2.83 112.91 115.17 2kjz h THR 18 Ca 0.00 -2.45 -0.08 0.00 0.77 0.00 0.00 66.41 64.66 2kjz h THR 18 Cb 0.90 2.56 -0.01 0.00 -1.74 0.00 0.00 68.15 69.86 2kjz h THR 18 CO 0.00 0.74 -0.36 1.56 0.37 0.00 0.00 175.52 177.84 2kjz h GLN 19 N 0.28 0.02 -0.15 6.66 1.08 -1.38 -1.41 115.11 120.22 2kjz h GLN 19 Ca -0.14 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2kjz h GLN 19 Cb 1.78 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.20 2kjz h GLN 19 CO 0.21 0.38 0.10 0.35 -0.95 0.00 0.00 178.83 178.91 2kjz h PHE 20 N 0.02 0.20 -0.02 2.96 3.57 -1.39 -2.57 116.94 119.70 2kjz h PHE 20 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2kjz h PHE 20 Cb 0.64 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2kjz h PHE 20 CO 0.00 0.15 -0.43 1.88 -2.23 0.00 0.00 178.31 177.68 2kjz h TYR 21 N 0.19 0.06 -0.19 0.41 -1.99 -1.22 -2.38 116.97 111.85 2kjz h TYR 21 Ca 0.06 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.79 2kjz h TYR 21 Cb 0.00 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 2kjz h TYR 21 CO -0.06 0.47 0.03 0.87 -0.00 0.00 0.00 178.16 179.47 2kjz h LYS 22 N 0.05 0.10 0.02 4.88 1.57 -0.86 -0.89 116.57 121.44 2kjz h LYS 22 Ca 0.00 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2kjz h LYS 22 Cb 0.78 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2kjz h LYS 22 CO 0.06 0.06 -0.96 0.00 -0.57 0.00 0.00 179.45 178.04 2kjz h ALA 23 N 1.14 0.42 0.07 3.86 0.00 -1.57 -0.76 119.26 122.43 2kjz h ALA 23 Ca 0.08 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 2kjz h ALA 23 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kjz h ALA 23 CO -0.12 1.04 -0.03 1.25 0.00 0.00 0.00 179.25 181.38 2kjz h LEU 24 N 0.05 -0.08 0.05 0.00 5.85 -1.14 -3.27 115.31 116.76 2kjz h LEU 24 Ca -0.04 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.44 2kjz h LEU 24 Cb 1.65 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 2kjz h LEU 24 CO 0.14 0.04 -0.75 -0.07 -0.34 0.00 0.00 178.44 177.46 2kjz h LEU 25 N -0.20 0.17 0.00 2.25 3.38 -1.32 -3.49 115.31 116.10 2kjz h LEU 25 Ca -0.01 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2kjz h LEU 25 Cb 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kjz h LEU 25 CO 0.02 1.32 0.00 0.61 0.09 0.00 0.00 178.44 180.48 2kjz n GLY 26 N 1.61 1.97 3.45 0.83 0.00 -0.39 -5.10 105.19 107.55 2kjz n GLY 26 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 0.59 0.12 1.61 -7.23 -0.58 -5.00 120.40 107.92 2kjz s VAL 27 Ca 0.00 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.26 2kjz s VAL 27 Cb 0.00 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2kjz s VAL 27 CO 0.00 0.00 -0.21 1.51 -0.31 0.00 0.00 175.10 176.09 2kjz s ASP 28 N -3.52 2.70 -0.41 4.85 1.47 -1.26 -4.34 116.67 116.16 2kjz s ASP 28 Ca 0.29 -0.74 -0.28 0.00 1.18 0.00 0.00 52.55 53.01 2kjz s ASP 28 Cb 0.04 -0.16 -0.02 0.00 -0.34 0.00 0.00 42.92 42.44 2kjz s ASP 28 CO 0.16 0.06 1.88 -2.84 0.68 0.00 0.00 175.17 175.11 2kjz s PRO 29 N -2.14 3.04 0.23 2.11 0.02 -1.26 -4.65 135.00 132.35 2kjz s PRO 29 Ca 0.10 1.23 -0.06 0.00 0.02 0.00 0.00 61.00 62.29 2kjz s PRO 29 Cb -0.09 -4.29 0.20 0.00 0.02 0.00 0.00 34.50 30.35 2kjz s PRO 29 CO 0.05 -2.21 1.78 -0.24 -0.33 0.00 0.00 177.00 176.05 2kjz h VAL 30 N 6.91 1.26 -3.52 3.83 3.04 -1.26 -3.35 116.25 123.14 2kjz h VAL 30 Ca -0.31 -0.84 -0.69 0.00 -1.01 0.00 0.00 66.70 63.85 2kjz h VAL 30 Cb 1.18 0.39 -0.36 0.00 -2.01 0.00 0.00 31.29 30.49 2kjz h VAL 30 CO 1.09 0.34 -0.56 -1.61 -1.01 0.00 0.00 177.57 175.82 2kjz s GLU 31 N -5.47 1.98 -0.12 4.17 0.41 -0.88 -5.04 118.70 113.75 2kjz s GLU 31 Ca -0.12 -1.96 -0.08 0.00 -0.41 0.00 0.00 54.97 52.39 2kjz s GLU 31 Cb 0.16 -3.52 -0.04 0.00 -1.78 0.00 0.00 34.13 28.94 2kjz s GLU 31 CO 0.83 -1.06 0.17 -1.54 -0.49 0.00 0.00 175.26 173.17 2kjz s SER 32 N 1.41 6.40 0.01 -0.19 1.04 -1.26 -1.25 113.70 119.87 2kjz s SER 32 Ca 0.10 0.48 -0.05 0.00 0.48 0.00 0.00 55.95 56.96 2kjz s SER 32 Cb -0.22 -2.09 -0.01 0.00 0.10 0.00 0.00 66.02 63.80 2kjz s SER 32 CO -0.05 0.36 0.09 -0.44 0.98 0.00 0.00 173.24 174.18 2kjz s SER 33 N -0.78 0.10 0.64 7.02 0.01 0.25 -5.02 113.70 115.91 2kjz s SER 33 Ca 0.15 -0.32 0.35 0.00 1.31 0.00 0.00 55.95 57.43 2kjz s SER 33 Cb -0.12 0.18 1.96 0.00 0.21 0.00 0.00 66.02 68.25 2kjz s SER 33 CO 0.04 -0.37 2.18 1.55 0.41 0.00 0.00 173.24 177.05 2kjz h PRO 34 N 4.29 0.00 0.00 12.44 0.13 -2.02 -2.47 132.00 144.37 2kjz h PRO 34 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kjz h PRO 34 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kjz h PRO 34 CO 0.42 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 175.82 2kjz n THR 35 N -3.35 0.57 -3.74 1.56 5.66 -1.26 -4.82 114.28 108.90 2kjz n THR 35 Ca -0.01 -0.57 -0.13 0.00 -3.05 0.00 0.00 64.05 60.28 2kjz n THR 35 Cb 0.22 0.72 -0.10 0.00 -1.55 0.00 0.00 70.33 69.61 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 -0.57 -0.45 -0.02 1.09 5.36 -0.93 -2.65 117.98 119.82 2kjz s PHE 36 Ca 0.00 1.07 0.04 0.00 -0.96 0.00 0.00 56.93 57.08 2kjz s PHE 36 Cb 0.00 0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 42.83 2kjz s PHE 36 CO 0.00 -0.22 -0.13 -1.12 -1.46 0.00 0.00 175.22 172.29 2kjz s SER 37 N 0.30 1.61 -0.09 6.13 0.01 -0.37 -0.59 113.70 120.71 2kjz s SER 37 Ca -0.01 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 2kjz s SER 37 Cb -0.03 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 65.98 2kjz s SER 37 CO -0.00 0.15 -0.04 -0.22 0.41 0.00 0.00 173.24 173.53 2kjz s LEU 38 N -0.22 0.95 -0.16 2.44 1.98 -0.38 -0.38 118.68 122.91 2kjz s LEU 38 Ca 0.03 -0.21 -0.02 0.00 -2.89 0.00 0.00 54.13 51.05 2kjz s LEU 38 Cb -0.06 -0.67 0.05 0.00 0.66 0.00 0.00 46.19 46.17 2kjz s LEU 38 CO -0.00 -0.15 -0.00 0.72 -1.89 0.00 0.00 176.35 175.03 2kjz s PHE 39 N 1.79 1.22 -0.03 5.38 -0.12 -0.53 -0.64 117.98 125.05 2kjz s PHE 39 Ca 0.04 -0.83 -0.13 0.00 -0.05 0.00 0.00 56.93 55.96 2kjz s PHE 39 Cb -0.12 -1.09 -0.05 0.00 -0.63 0.00 0.00 43.02 41.12 2kjz s PHE 39 CO -0.07 -0.56 0.35 0.08 -0.05 0.00 0.00 175.22 174.97 2kjz s VAL 40 N 1.79 5.13 0.04 -2.49 1.01 -1.26 -2.09 120.40 122.53 2kjz s VAL 40 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 62.67 2kjz s VAL 40 Cb -0.16 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2kjz s VAL 40 CO -0.07 0.58 0.25 -0.76 0.00 0.00 0.00 175.10 175.09 2kjz s LEU 41 N -1.02 4.35 0.00 3.92 1.43 -0.65 -4.95 118.68 121.76 2kjz s LEU 41 Ca 0.22 0.41 0.20 0.00 -1.03 0.00 0.00 54.13 53.93 2kjz s LEU 41 Cb -0.16 -2.87 1.02 0.00 0.03 0.00 0.00 46.19 44.22 2kjz s LEU 41 CO 0.11 0.19 1.61 0.00 0.23 0.00 0.00 176.35 178.49 2kjz n ALA 42 N 0.61 2.07 0.45 4.21 0.00 -1.26 -2.82 120.51 123.76 2kjz n ALA 42 Ca -0.07 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.33 2kjz n ALA 42 Cb 0.52 -1.32 0.29 0.00 0.00 0.00 0.00 19.45 18.94 2kjz n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kjz n ASN 43 N -1.24 0.03 0.00 0.00 4.13 -1.26 -4.86 115.26 112.05 2kjz n ASN 43 Ca 0.10 0.51 0.00 0.00 1.68 0.00 0.00 54.58 56.87 2kjz n ASN 43 Cb 0.14 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.87 2kjz n ASN 43 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kjz n GLY 44 N -0.15 0.87 3.52 7.41 0.00 -1.13 -5.09 105.19 110.63 2kjz n GLY 44 Ca 0.03 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.59 1.80 -0.02 1.61 0.23 -1.24 -5.02 119.30 116.07 2kjz s MET 45 Ca 0.00 -2.03 0.01 0.00 -1.03 0.00 0.00 55.69 52.64 2kjz s MET 45 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 34.83 32.31 2kjz s MET 45 CO 0.00 -0.23 -0.03 0.21 -2.03 0.00 0.00 175.02 172.94 2kjz s LYS 46 N -3.83 0.43 -0.12 3.16 2.20 -0.40 -1.63 119.74 119.54 2kjz s LYS 46 Ca 0.31 -0.08 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 2kjz s LYS 46 Cb 0.07 -0.47 0.02 0.00 -1.51 0.00 0.00 37.83 35.94 2kjz s LYS 46 CO 0.15 -0.00 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.47 2kjz s LEU 47 N 0.39 1.75 0.37 5.43 1.43 -0.89 -2.02 118.68 125.14 2kjz s LEU 47 Ca -0.04 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2kjz s LEU 47 Cb -0.07 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 2kjz s LEU 47 CO -0.01 0.01 0.46 -0.83 0.23 0.00 0.00 176.35 176.22 2kjz s GLY 48 N 1.05 1.80 -0.24 -3.19 0.00 -0.48 -1.45 107.32 104.81 2kjz s GLY 48 Ca -0.05 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.03 2kjz s GLY 48 CO -0.03 -1.48 0.23 -2.27 0.00 0.00 0.00 173.10 169.54 2kjz s LEU 49 N -4.20 -0.04 -0.23 0.66 2.96 0.49 -2.54 118.68 115.79 2kjz s LEU 49 Ca 0.48 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.74 2kjz s LEU 49 Cb -0.08 0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.86 2kjz s LEU 49 CO 0.31 -0.37 0.08 0.86 -1.32 0.00 0.00 176.35 175.91 2kjz s TRP 50 N 2.30 3.15 -0.35 5.38 -0.11 -0.80 -1.23 118.94 127.28 2kjz s TRP 50 Ca 0.08 -0.20 -0.29 0.00 1.22 0.00 0.00 56.10 56.91 2kjz s TRP 50 Cb -0.15 -2.20 0.00 0.00 -1.50 0.00 0.00 33.47 29.62 2kjz s TRP 50 CO -0.23 -0.18 1.41 -1.12 -4.62 0.00 0.00 176.95 172.22 2kjz s SER 51 N 1.24 6.44 0.00 5.86 0.01 -1.08 -1.43 113.70 124.74 2kjz s SER 51 Ca 0.05 1.06 0.05 0.00 1.31 0.00 0.00 55.95 58.42 2kjz s SER 51 Cb -0.14 -2.54 0.27 0.00 0.21 0.00 0.00 66.02 63.82 2kjz s SER 51 CO 0.04 -1.30 0.84 -2.11 0.41 0.00 0.00 173.24 171.11 2kjz n ARG 52 N 7.78 0.12 0.14 12.44 1.85 0.29 -1.65 116.66 137.64 2kjz n ARG 52 Ca 0.16 0.08 0.02 0.00 -1.00 0.00 0.00 57.85 57.11 2kjz n ARG 52 Cb 0.47 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.42 2kjz n ARG 52 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 177.63 178.74 2kjz h HIS 53 N 0.00 0.00 -0.26 2.89 2.07 -1.87 -3.34 115.15 114.65 2kjz h HIS 53 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2kjz h HIS 53 Cb 0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.99 2kjz h HIS 53 CO 0.00 0.53 0.00 -2.37 -3.07 0.00 0.00 177.93 173.02 2kjz n THR 54 N -3.25 1.31 -1.97 6.12 5.66 -0.66 -5.00 114.28 116.50 2kjz n THR 54 Ca 0.02 -1.25 -0.41 0.00 -3.05 0.00 0.00 64.05 59.36 2kjz n THR 54 Cb 0.74 0.31 -0.01 0.00 -1.55 0.00 0.00 70.33 69.81 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 -1.48 2.43 -0.22 1.08 0.11 -1.23 -4.98 120.40 116.12 2kjz s VAL 55 Ca 0.24 0.41 0.02 0.00 -2.93 0.00 0.00 61.98 59.72 2kjz s VAL 55 Cb 0.16 -3.26 0.04 0.00 -1.53 0.00 0.00 36.38 31.78 2kjz s VAL 55 CO 0.11 0.09 -0.15 -1.61 -3.33 0.00 0.00 175.10 170.21 2kjz s GLU 56 N -1.52 2.55 0.27 1.54 2.02 -1.26 -1.93 118.70 120.37 2kjz s GLU 56 Ca 0.53 -1.10 -0.29 0.00 0.02 0.00 0.00 54.97 54.13 2kjz s GLU 56 Cb -0.43 -2.73 -0.09 0.00 0.10 0.00 0.00 34.13 30.98 2kjz s GLU 56 CO 0.54 -0.41 1.02 -1.25 0.02 0.00 0.00 175.26 175.18 2kjz s PRO 57 N 1.20 4.71 -0.06 0.39 0.04 -1.26 -5.11 135.00 134.91 2kjz s PRO 57 Ca -0.03 1.63 -0.38 0.00 0.04 0.00 0.00 61.00 62.26 2kjz s PRO 57 Cb -0.17 -3.18 -0.16 0.00 0.04 0.00 0.00 34.50 31.04 2kjz s PRO 57 CO -0.09 0.33 1.55 1.63 0.04 0.00 0.00 177.00 180.47 2kjz n LYS 58 N 1.23 1.30 -3.31 4.56 4.76 -0.81 -4.98 118.16 120.90 2kjz n LYS 58 Ca -0.01 0.47 -0.06 0.00 -2.87 0.00 0.00 58.31 55.84 2kjz n LYS 58 Cb 0.46 -2.15 -0.06 0.00 -1.84 0.00 0.00 35.03 31.44 2kjz n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kjz s ALA 59 N 1.96 -1.35 -0.90 7.82 0.00 -1.26 -5.09 121.76 122.94 2kjz s ALA 59 Ca 0.90 1.07 -0.14 0.00 0.00 0.00 0.00 51.96 53.79 2kjz s ALA 59 Cb -0.96 -1.80 0.21 0.00 0.00 0.00 0.00 23.12 20.56 2kjz s ALA 59 CO 0.54 -1.30 0.91 0.45 0.00 0.00 0.00 175.76 176.36 2kjz s SER 60 N 2.61 6.81 -0.19 0.00 0.15 -1.26 -4.83 113.70 116.99 2kjz s SER 60 Ca 0.14 -2.67 -0.14 0.00 0.70 0.00 0.00 55.95 53.98 2kjz s SER 60 Cb -0.15 -2.26 0.05 0.00 -1.71 0.00 0.00 66.02 61.95 2kjz s SER 60 CO -0.18 -0.65 0.48 0.54 1.20 0.00 0.00 173.24 174.63 2kjz s VAL 61 N 0.60 -0.01 -0.06 4.45 0.11 -1.26 -5.17 120.40 119.06 2kjz s VAL 61 Ca 0.24 0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.29 2kjz s VAL 61 Cb -0.09 -0.69 0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2kjz s VAL 61 CO -0.09 0.01 0.12 0.42 -3.33 0.00 0.00 175.10 172.24 2kjz s THR 62 N 0.74 -0.13 0.00 5.04 -4.23 -1.26 -5.08 115.64 110.72 2kjz s THR 62 Ca -0.04 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2kjz s THR 62 Cb -0.05 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.57 2kjz s THR 62 CO -0.05 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 2kjz n GLY 63 N 4.74 -0.79 3.70 3.99 0.00 -1.25 -5.07 105.19 110.51 2kjz n GLY 63 Ca -0.16 0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2kjz n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kjz s GLY 64 N 0.00 2.01 0.00 -0.02 0.00 -1.26 -4.61 107.32 103.43 2kjz s GLY 64 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2kjz s GLY 64 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.86 2kjz n GLY 65 N 3.59 0.03 3.64 0.20 0.00 -1.26 -5.15 105.19 106.24 2kjz n GLY 65 Ca -0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 2kjz n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kjz s GLY 66 N -0.55 0.01 0.35 -0.02 0.00 -1.26 -5.19 107.32 100.66 2kjz s GLY 66 Ca 0.00 2.61 0.09 0.00 0.00 0.00 0.00 44.72 47.41 2kjz s GLY 66 CO 0.00 1.02 0.07 -0.54 0.00 0.00 0.00 173.10 173.65 2kjz s GLU 67 N -1.21 2.19 -0.31 2.90 2.02 -1.26 -4.36 118.70 118.67 2kjz s GLU 67 Ca 0.08 -1.69 0.03 0.00 0.02 0.00 0.00 54.97 53.41 2kjz s GLU 67 Cb -0.01 -2.01 0.09 0.00 0.10 0.00 0.00 34.13 32.29 2kjz s GLU 67 CO -0.06 0.10 -0.00 -1.17 0.02 0.00 0.00 175.26 174.15 2kjz s LEU 68 N -3.78 4.12 -0.28 1.80 2.96 -0.59 -4.95 118.68 117.95 2kjz s LEU 68 Ca 0.36 -1.85 -0.20 0.00 -0.22 0.00 0.00 54.13 52.22 2kjz s LEU 68 Cb -0.00 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 2kjz s LEU 68 CO 0.21 -0.32 0.61 0.00 -1.32 0.00 0.00 176.35 175.53 2kjz s ALA 69 N 1.02 3.56 -0.45 5.97 0.00 -1.26 -1.14 121.76 129.47 2kjz s ALA 69 Ca 0.04 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.23 2kjz s ALA 69 Cb -0.19 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 19.92 2kjz s ALA 69 CO -0.08 -0.94 0.51 -0.06 0.00 0.00 0.00 175.76 175.19 2kjz s PHE 70 N 2.52 3.13 -0.05 0.00 0.40 0.30 -4.98 117.98 119.30 2kjz s PHE 70 Ca 0.25 -0.43 -0.25 0.00 -0.60 0.00 0.00 56.93 55.90 2kjz s PHE 70 Cb -0.15 -3.15 -0.04 0.00 0.51 0.00 0.00 43.02 40.20 2kjz s PHE 70 CO 0.10 -0.82 0.75 1.03 0.70 0.00 0.00 175.22 176.99 2kjz s ARG 71 N 2.31 4.46 0.09 0.44 0.52 -1.26 -2.65 118.95 122.85 2kjz s ARG 71 Ca 0.13 0.99 0.02 0.00 -0.52 0.00 0.00 55.73 56.35 2kjz s ARG 71 Cb -0.18 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 2kjz s ARG 71 CO 0.13 0.05 -0.07 0.14 0.02 0.00 0.00 175.30 175.56 2kjz s VAL 72 N 0.83 0.70 0.20 3.52 -7.23 -1.11 -5.01 120.40 112.29 2kjz s VAL 72 Ca 0.40 -1.70 -0.06 0.00 -1.81 0.00 0.00 61.98 58.81 2kjz s VAL 72 Cb -0.18 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.40 2kjz s VAL 72 CO 0.20 -0.72 1.62 1.05 -0.31 0.00 0.00 175.10 176.94 2kjz h GLU 73 N 3.40 0.86 -3.25 4.82 4.11 -1.94 -3.19 114.58 119.39 2kjz h GLU 73 Ca -0.36 -0.34 -0.05 0.00 0.07 0.00 0.00 59.36 58.68 2kjz h GLU 73 Cb 1.18 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 2kjz h GLU 73 CO 0.58 0.98 0.15 0.54 0.07 0.00 0.00 179.01 181.33 2kjz s ASN 74 N -6.72 0.13 0.45 3.06 2.20 -1.26 -4.19 114.94 108.60 2kjz s ASN 74 Ca -0.10 -1.11 0.15 0.00 -0.94 0.00 0.00 52.86 50.86 2kjz s ASN 74 Cb 0.13 0.78 1.09 0.00 -2.00 0.00 0.00 41.25 41.25 2kjz s ASN 74 CO 0.85 -1.53 2.00 -2.24 -2.94 0.00 0.00 177.10 173.24 2kjz h ASP 75 N 2.04 0.29 -0.32 3.54 2.03 -1.92 -1.48 116.42 120.59 2kjz h ASP 75 Ca -0.29 0.01 -0.07 0.00 -0.73 0.00 0.00 57.03 55.95 2kjz h ASP 75 Cb 1.25 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 2kjz h ASP 75 CO 0.37 0.18 -0.07 0.00 -1.03 0.00 0.00 179.24 178.68 2kjz h ALA 76 N 1.73 0.44 0.00 4.15 0.00 -1.99 -2.28 119.26 121.31 2kjz h ALA 76 Ca 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kjz h ALA 76 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kjz h ALA 76 CO -0.06 0.27 -0.14 1.96 0.00 0.00 0.00 179.25 181.28 2kjz h GLN 77 N 0.40 0.00 -0.34 0.00 1.08 -1.70 -0.30 115.11 114.25 2kjz h GLN 77 Ca 0.08 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.15 2kjz h GLN 77 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 2kjz h GLN 77 CO 0.03 0.14 -0.29 0.28 -0.95 0.00 0.00 178.83 178.05 2kjz h VAL 78 N 0.00 1.29 -0.04 -0.54 2.07 -1.22 -2.66 116.25 115.15 2kjz h VAL 78 Ca -0.00 -1.45 -0.11 0.00 0.82 0.00 0.00 66.70 65.97 2kjz h VAL 78 Cb 0.43 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2kjz h VAL 78 CO 0.02 0.47 -0.47 -0.78 0.02 0.00 0.00 177.57 176.83 2kjz h ASP 79 N 0.58 0.09 -0.33 0.57 3.58 -0.72 0.12 116.42 120.31 2kjz h ASP 79 Ca 0.06 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 2kjz h ASP 79 Cb 0.86 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2kjz h ASP 79 CO 0.07 0.55 -0.13 -0.33 -2.88 0.00 0.00 179.24 176.52 2kjz h GLU 80 N 0.07 0.66 0.00 0.28 5.08 -1.10 -1.51 114.58 118.06 2kjz h GLU 80 Ca 0.00 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 2kjz h GLU 80 Cb 0.86 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2kjz h GLU 80 CO 0.06 0.87 -0.46 1.15 -1.00 0.00 0.00 179.01 179.63 2kjz h THR 81 N 0.44 1.22 0.70 1.13 2.02 -1.20 -1.36 112.91 115.86 2kjz h THR 81 Ca 0.08 -1.63 -0.03 0.00 0.77 0.00 0.00 66.41 65.59 2kjz h THR 81 Cb 0.65 1.91 0.01 0.00 -1.74 0.00 0.00 68.15 68.98 2kjz h THR 81 CO 0.04 0.45 -0.34 0.15 0.37 0.00 0.00 175.52 176.19 2kjz h PHE 82 N 0.00 -0.87 -0.79 3.16 3.04 -0.58 -2.33 116.94 118.56 2kjz h PHE 82 Ca -0.00 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.90 2kjz h PHE 82 Cb 0.87 0.29 -0.04 0.00 2.56 0.00 0.00 35.95 39.63 2kjz h PHE 82 CO 0.00 -0.54 0.39 0.00 -2.02 0.00 0.00 178.31 176.14 2kjz h ALA 83 N -1.39 1.20 -0.28 2.41 0.00 -1.29 -1.45 119.26 118.47 2kjz h ALA 83 Ca -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2kjz h ALA 83 Cb 0.72 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kjz h ALA 83 CO 0.16 0.62 0.08 0.78 0.00 0.00 0.00 179.25 180.89 2kjz h GLY 84 N 1.15 0.47 0.94 0.00 0.00 -1.32 -1.75 103.07 102.56 2kjz h GLY 84 Ca 0.27 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2kjz h GLY 84 CO -0.04 0.27 0.08 1.49 0.00 0.00 0.00 176.54 178.34 2kjz h TRP 85 N 0.29 0.19 -0.75 5.60 4.06 -1.18 -1.50 115.95 122.66 2kjz h TRP 85 Ca 0.09 -0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.14 2kjz h TRP 85 Cb 0.26 -0.06 -0.07 0.00 -1.00 0.00 0.00 29.16 28.28 2kjz h TRP 85 CO 0.01 0.19 0.39 -0.22 -3.56 0.00 0.00 178.44 175.25 2kjz h LYS 86 N 0.13 0.62 0.00 0.49 3.64 -1.20 -0.65 116.57 119.59 2kjz h LYS 86 Ca 0.05 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2kjz h LYS 86 Cb 0.07 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2kjz h LYS 86 CO -0.01 0.41 -0.19 0.00 -2.27 0.00 0.00 179.45 177.39 2kjz h ALA 87 N 1.45 0.94 -0.42 5.00 0.00 -1.19 -3.13 119.26 121.90 2kjz h ALA 87 Ca 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2kjz h ALA 87 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kjz h ALA 87 CO -0.28 0.24 0.00 0.45 0.00 0.00 0.00 179.25 179.67 2kjz n SER 88 N -3.24 2.73 0.00 0.00 2.88 -0.34 -4.93 113.62 110.72 2kjz n SER 88 Ca 0.01 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.62 2kjz n SER 88 Cb 0.50 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 1.34 0.89 3.74 0.46 0.00 -0.83 -5.03 105.19 105.76 2kjz n GLY 89 Ca 0.18 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.00 4.76 0.41 1.61 1.01 -0.65 -4.34 120.40 121.19 2kjz s VAL 90 Ca 0.00 1.70 0.11 0.00 0.00 0.00 0.00 61.98 63.79 2kjz s VAL 90 Cb 0.00 -4.15 0.31 0.00 0.00 0.00 0.00 36.38 32.55 2kjz s VAL 90 CO 0.00 0.33 1.97 0.00 0.00 0.00 0.00 175.10 177.40 2kjz h ALA 91 N 5.89 1.91 -4.36 5.51 0.00 -1.12 -3.40 119.26 123.68 2kjz h ALA 91 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kjz h ALA 91 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2kjz h ALA 91 CO 0.72 -0.03 -0.39 -0.12 0.00 0.00 0.00 179.25 179.42 2kjz n MET 92 N -4.48 -1.66 -3.58 0.00 0.00 -0.83 -4.93 117.12 101.64 2kjz n MET 92 Ca 0.10 1.62 -0.29 0.00 0.00 0.00 0.00 57.70 59.13 2kjz n MET 92 Cb 0.32 -3.94 -0.12 0.00 0.00 0.00 0.00 33.22 29.49 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 -1.68 2.08 0.00 -0.89 -0.00 -1.26 -4.95 118.68 111.97 2kjz s LEU 93 Ca 0.11 -2.74 0.00 0.00 -0.00 0.00 0.00 54.13 51.50 2kjz s LEU 93 Cb -0.03 -0.75 0.00 0.00 -0.00 0.00 0.00 46.19 45.41 2kjz s LEU 93 CO 0.47 -0.24 0.00 1.67 -0.00 0.00 0.00 176.35 178.26 2kjz n GLN 94 N 3.35 0.00 -2.78 1.48 -0.06 -1.25 -4.66 117.38 113.46 2kjz n GLN 94 Ca 0.16 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.73 2kjz n GLN 94 Cb 0.39 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.53 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 -0.70 3.51 -0.11 3.69 -0.21 -1.26 -4.86 119.66 119.72 2kjz s GLN 95 Ca 0.00 0.13 -0.34 0.00 0.02 0.00 0.00 55.36 55.17 2kjz s GLN 95 Cb 0.00 -3.96 -0.11 0.00 1.00 0.00 0.00 33.01 29.94 2kjz s GLN 95 CO 0.00 -1.34 1.93 -0.35 -2.12 0.00 0.00 175.29 173.41 2kjz n PRO 96 N 7.43 2.16 -4.06 2.91 -0.04 -1.26 -4.93 135.00 137.21 2kjz n PRO 96 Ca 0.06 0.77 -0.09 0.00 -0.04 0.00 0.00 63.50 64.21 2kjz n PRO 96 Cb 0.48 -2.70 -0.11 0.00 -0.04 0.00 0.00 33.50 31.14 2kjz n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kjz s ALA 97 N 4.60 0.43 -0.13 0.55 0.00 -0.83 -4.92 121.76 121.45 2kjz s ALA 97 Ca 0.94 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 2kjz s ALA 97 Cb -0.66 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2kjz s ALA 97 CO 0.50 -0.24 1.52 0.15 0.00 0.00 0.00 175.76 177.69 2kjz s LYS 98 N -2.77 4.09 0.37 0.00 -0.14 -1.26 -1.24 119.74 118.79 2kjz s LYS 98 Ca -0.03 1.88 0.08 0.00 -1.36 0.00 0.00 55.97 56.55 2kjz s LYS 98 Cb -0.01 -3.93 -0.06 0.00 -1.68 0.00 0.00 37.83 32.16 2kjz s LYS 98 CO -0.05 -0.92 0.07 1.41 -0.76 0.00 0.00 175.35 175.09 2kjz s MET 99 N 4.04 2.13 0.31 1.68 -2.45 -0.45 -4.93 119.30 119.63 2kjz s MET 99 Ca 0.67 -1.80 0.07 0.00 -1.25 0.00 0.00 55.69 53.38 2kjz s MET 99 Cb -0.27 -1.93 0.79 0.00 1.25 0.00 0.00 34.83 34.66 2kjz s MET 99 CO 0.25 0.04 1.75 0.93 1.05 0.00 0.00 175.02 179.05 2kjz h GLU 100 N 1.68 0.64 0.00 4.11 3.07 -2.03 -1.57 114.58 120.49 2kjz h GLU 100 Ca -0.43 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2kjz h GLU 100 Cb 1.25 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 2kjz h GLU 100 CO 0.69 0.42 -0.70 0.35 -1.40 0.00 0.00 179.01 178.38 2kjz h PHE 101 N 0.66 0.00 0.00 4.33 3.57 -1.97 -3.50 116.94 120.03 2kjz h PHE 101 Ca 0.60 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.10 2kjz h PHE 101 Cb 1.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2kjz h PHE 101 CO -0.02 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.47 2kjz n GLY 102 N 1.16 0.63 3.56 2.40 0.00 -0.59 -4.53 105.19 107.82 2kjz n GLY 102 Ca 0.01 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.94 1.85 0.09 1.61 5.04 -0.58 -1.34 117.35 122.08 2kjz s TYR 103 Ca 0.00 0.62 0.04 0.00 -2.44 0.00 0.00 57.07 55.30 2kjz s TYR 103 Cb 0.00 -4.20 -0.04 0.00 0.35 0.00 0.00 41.96 38.07 2kjz s TYR 103 CO 0.00 -2.29 0.03 -0.08 -1.34 0.00 0.00 175.55 171.87 2kjz s THR 104 N 7.96 4.22 -0.06 4.34 -1.32 -0.37 -1.08 115.64 129.32 2kjz s THR 104 Ca 0.62 -0.91 -0.15 0.00 -1.21 0.00 0.00 61.69 60.05 2kjz s THR 104 Cb -0.13 -3.02 0.03 0.00 -1.51 0.00 0.00 72.50 67.87 2kjz s THR 104 CO 0.22 0.12 0.35 0.12 -2.21 0.00 0.00 174.62 173.22 2kjz s PHE 105 N -1.35 -0.29 -0.06 9.09 5.36 0.29 -1.96 117.98 129.06 2kjz s PHE 105 Ca 0.27 0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 56.81 2kjz s PHE 105 Cb -0.12 0.13 0.04 0.00 -0.34 0.00 0.00 43.02 42.73 2kjz s PHE 105 CO 0.20 -0.33 0.12 0.99 -1.46 0.00 0.00 175.22 174.74 2kjz s THR 106 N -0.74 -0.06 0.11 0.12 2.01 -1.26 -0.87 115.64 114.94 2kjz s THR 106 Ca -0.08 0.20 0.10 0.00 0.31 0.00 0.00 61.69 62.22 2kjz s THR 106 Cb -0.04 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 2kjz s THR 106 CO 0.03 0.08 -0.25 0.00 -0.69 0.00 0.00 174.62 173.79 2kjz s ALA 107 N 1.23 2.23 0.37 7.40 0.00 -0.31 -3.85 121.76 128.83 2kjz s ALA 107 Ca -0.08 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 50.57 2kjz s ALA 107 Cb -0.12 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2kjz s ALA 107 CO -0.05 0.50 0.28 0.00 0.00 0.00 0.00 175.76 176.48 2kjz s ALA 108 N -1.03 3.82 0.36 0.00 0.00 -1.26 -1.92 121.76 121.72 2kjz s ALA 108 Ca 0.12 -1.81 0.05 0.00 0.00 0.00 0.00 51.96 50.32 2kjz s ALA 108 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 2kjz s ALA 108 CO 0.05 -0.08 0.17 -0.40 0.00 0.00 0.00 175.76 175.50 2kjz n ASP 109 N -1.37 0.72 0.00 0.00 5.75 -1.26 -0.62 116.55 119.77 2kjz n ASP 109 Ca -0.00 -3.00 0.02 0.00 -0.01 0.00 0.00 54.79 51.80 2kjz n ASP 109 Cb 0.61 1.10 0.13 0.00 -1.03 0.00 0.00 41.12 41.94 2kjz n ASP 109 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2kjz n PRO 110 N -0.78 0.12 -0.00 0.11 -0.04 -1.26 -2.08 135.00 131.07 2kjz n PRO 110 Ca -0.02 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.53 2kjz n PRO 110 Cb 0.56 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 2kjz n PRO 110 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kjz n ASP 111 N -1.08 1.44 -1.51 3.54 -0.08 -1.26 -5.02 116.55 112.58 2kjz n ASP 111 Ca 0.03 -1.22 -0.11 0.00 -1.51 0.00 0.00 54.79 51.98 2kjz n ASP 111 Cb 0.02 -0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.49 2kjz n ASP 111 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2kjz n SER 112 N 0.28 -3.73 -4.76 1.67 7.64 -0.88 -4.90 113.62 108.94 2kjz n SER 112 Ca 0.03 -0.11 -0.29 0.00 1.01 0.00 0.00 58.87 59.51 2kjz n SER 112 Cb 0.13 -2.71 0.14 0.00 -1.01 0.00 0.00 64.21 60.75 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 -2.76 2.49 -0.28 1.43 3.76 -1.26 -3.75 115.29 114.91 2kjz s HIS 113 Ca 0.11 0.83 0.02 0.00 -0.15 0.00 0.00 55.06 55.87 2kjz s HIS 113 Cb -0.05 -3.41 0.06 0.00 1.11 0.00 0.00 32.58 30.29 2kjz s HIS 113 CO 0.14 -2.36 -0.07 1.03 -0.85 0.00 0.00 174.74 172.62 2kjz s ARG 114 N -5.31 2.20 -0.26 1.40 1.81 -1.26 -4.22 118.95 113.31 2kjz s ARG 114 Ca 0.64 -1.39 0.03 0.00 -1.72 0.00 0.00 55.73 53.28 2kjz s ARG 114 Cb -0.14 -2.98 0.06 0.00 -0.45 0.00 0.00 34.95 31.44 2kjz s ARG 114 CO 0.53 -0.62 -0.08 -0.51 -0.68 0.00 0.00 175.30 173.94 2kjz s LEU 115 N 1.11 3.37 0.13 2.53 1.02 -0.81 -1.55 118.68 124.49 2kjz s LEU 115 Ca -0.06 -1.43 -0.09 0.00 0.02 0.00 0.00 54.13 52.57 2kjz s LEU 115 Cb -0.20 -1.47 -0.06 0.00 0.02 0.00 0.00 46.19 44.48 2kjz s LEU 115 CO -0.05 -0.22 0.44 -0.60 0.02 0.00 0.00 176.35 175.94 2kjz s ARG 116 N 1.15 3.76 -0.04 1.70 3.52 -0.29 -1.16 118.95 127.60 2kjz s ARG 116 Ca -0.06 0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.73 2kjz s ARG 116 Cb -0.20 -2.88 0.01 0.00 -1.56 0.00 0.00 34.95 30.32 2kjz s ARG 116 CO -0.06 0.48 -0.09 0.08 -0.81 0.00 0.00 175.30 174.90 2kjz s VAL 117 N -1.55 0.81 0.13 7.11 1.01 -0.05 -0.54 120.40 127.31 2kjz s VAL 117 Ca 0.38 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2kjz s VAL 117 Cb -0.13 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2kjz s VAL 117 CO 0.20 0.27 -0.03 -0.72 0.00 0.00 0.00 175.10 174.82 2kjz s TYR 118 N 0.47 0.99 -0.19 5.22 1.13 -1.09 -0.55 117.35 123.34 2kjz s TYR 118 Ca -0.08 -0.99 -0.03 0.00 -1.41 0.00 0.00 57.07 54.56 2kjz s TYR 118 Cb -0.12 -0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 40.16 2kjz s TYR 118 CO 0.01 -0.21 -0.05 0.00 -2.51 0.00 0.00 175.55 172.79 2kjz s ALA 119 N -3.68 2.86 -0.50 9.51 0.00 -0.24 -2.74 121.76 126.96 2kjz s ALA 119 Ca 0.17 -1.02 -0.28 0.00 0.00 0.00 0.00 51.96 50.83 2kjz s ALA 119 Cb 0.06 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.60 2kjz s ALA 119 CO -0.01 -0.15 1.09 0.12 0.00 0.00 0.00 175.76 176.81 2kjz s PHE 120 N 1.00 2.79 -0.81 0.00 5.36 -1.21 -1.52 117.98 123.58 2kjz s PHE 120 Ca 0.00 0.51 -0.25 0.00 -0.96 0.00 0.00 56.93 56.23 2kjz s PHE 120 Cb -0.15 -4.33 0.00 0.00 -0.34 0.00 0.00 43.02 38.21 2kjz s PHE 120 CO 0.01 -1.32 1.65 0.00 -1.46 0.00 0.00 175.22 174.09 2kjz s ALA 121 N 4.38 2.31 0.00 11.12 0.00 -1.26 -4.84 121.76 133.46 2kjz s ALA 121 Ca 0.43 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2kjz s ALA 121 Cb -0.08 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2kjz s ALA 121 CO 0.28 -3.92 0.00 0.41 0.00 0.00 0.00 175.76 172.53