#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 0.44 -0.18 3.17 2.01 -1.26 -5.15 115.64 114.67 2kjz s THR 2 Ca 0.00 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2kjz s THR 2 Cb 0.00 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 72.12 2kjz s THR 2 CO 0.00 -0.06 -0.14 -1.00 -0.69 0.00 0.00 174.62 172.74 2kjz s HIS 3 N -0.54 2.46 -0.46 4.92 0.09 -1.26 -5.04 115.29 115.46 2kjz s HIS 3 Ca -0.02 -1.51 -0.06 0.00 -0.00 0.00 0.00 55.06 53.46 2kjz s HIS 3 Cb -0.05 -1.70 -0.15 0.00 -0.00 0.00 0.00 32.58 30.68 2kjz s HIS 3 CO -0.00 -0.74 3.27 -0.35 -0.00 0.00 0.00 174.74 176.92 2kjz n PRO 4 N 4.69 2.54 0.00 8.40 -0.04 -1.26 -4.60 135.00 144.73 2kjz n PRO 4 Ca -0.17 -1.63 0.06 0.00 -0.04 0.00 0.00 63.50 61.73 2kjz n PRO 4 Cb 0.48 -2.21 0.37 0.00 -0.04 0.00 0.00 33.50 32.10 2kjz n PRO 4 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kjz n ASP 5 N 2.33 0.00 -4.09 3.54 2.03 -1.26 -4.62 116.55 114.48 2kjz n ASP 5 Ca 0.52 -1.18 -0.29 0.00 0.52 0.00 0.00 54.79 54.36 2kjz n ASP 5 Cb 0.68 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.92 2kjz n ASP 5 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2kjz s PHE 6 N -2.00 2.06 0.05 -0.67 2.19 -1.26 -1.58 117.98 116.77 2kjz s PHE 6 Ca 0.19 -0.94 0.09 0.00 0.33 0.00 0.00 56.93 56.60 2kjz s PHE 6 Cb 0.08 -1.46 -0.03 0.00 -1.31 0.00 0.00 43.02 40.31 2kjz s PHE 6 CO 0.14 -0.46 -0.26 -0.08 1.83 0.00 0.00 175.22 176.39 2kjz s THR 7 N 0.84 2.11 0.04 0.12 -1.32 -0.46 -4.98 115.64 111.99 2kjz s THR 7 Ca -0.09 -1.41 0.08 0.00 -1.21 0.00 0.00 61.69 59.06 2kjz s THR 7 Cb -0.15 -1.81 -0.03 0.00 -1.51 0.00 0.00 72.50 69.00 2kjz s THR 7 CO 0.00 0.32 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.87 2kjz s ILE 8 N -0.83 1.93 -0.05 5.08 1.01 -1.26 -1.01 121.20 126.06 2kjz s ILE 8 Ca 0.12 -1.29 -0.18 0.00 0.00 0.00 0.00 60.65 59.30 2kjz s ILE 8 Cb -0.10 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 2kjz s ILE 8 CO 0.02 0.30 0.48 -0.76 0.00 0.00 0.00 174.94 174.99 2kjz s LEU 9 N -1.19 4.37 -0.71 2.97 2.01 -0.61 -4.92 118.68 120.61 2kjz s LEU 9 Ca 0.10 0.94 -0.24 0.00 0.01 0.00 0.00 54.13 54.94 2kjz s LEU 9 Cb -0.09 -2.71 0.06 0.00 0.01 0.00 0.00 46.19 43.45 2kjz s LEU 9 CO 0.02 0.13 1.10 -0.47 1.01 0.00 0.00 176.35 178.13 2kjz s TYR 10 N -0.11 2.54 0.26 0.29 5.04 -1.26 -1.47 117.35 122.64 2kjz s TYR 10 Ca 0.26 -0.41 0.09 0.00 -2.44 0.00 0.00 57.07 54.58 2kjz s TYR 10 Cb -0.16 -4.43 -0.04 0.00 0.35 0.00 0.00 41.96 37.68 2kjz s TYR 10 CO 0.13 -1.81 -0.01 0.14 -1.34 0.00 0.00 175.55 172.66 2kjz s VAL 11 N 4.64 3.46 -0.16 3.14 -7.23 -0.66 -4.94 120.40 118.66 2kjz s VAL 11 Ca 0.28 -1.87 -0.13 0.00 -1.81 0.00 0.00 61.98 58.45 2kjz s VAL 11 Cb -0.13 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 2kjz s VAL 11 CO 0.11 -0.35 -0.25 -0.67 -0.31 0.00 0.00 175.10 173.63 2kjz n ASP 12 N -0.81 1.86 -4.30 4.85 2.03 -1.26 -1.27 116.55 117.65 2kjz n ASP 12 Ca -0.07 0.51 -0.44 0.00 0.52 0.00 0.00 54.79 55.31 2kjz n ASP 12 Cb 0.59 -0.82 -0.07 0.00 -0.72 0.00 0.00 41.12 40.10 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 -5.84 6.00 0.10 1.67 2.47 -1.26 -4.54 114.94 113.55 2kjz s ASN 13 Ca -0.21 -1.67 -0.29 0.00 0.42 0.00 0.00 52.86 51.10 2kjz s ASN 13 Cb 0.03 -2.13 -0.11 0.00 -1.45 0.00 0.00 41.25 37.59 2kjz s ASN 13 CO 0.31 -0.73 1.62 -0.65 -3.72 0.00 0.00 177.10 173.93 2kjz h PRO 14 N 8.70 -0.60 0.02 0.43 0.11 -1.90 -2.52 132.00 136.24 2kjz h PRO 14 Ca -0.27 0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.91 2kjz h PRO 14 Cb 1.09 0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2kjz h PRO 14 CO 0.93 -0.40 -0.29 -1.35 -0.21 0.00 0.00 178.00 176.68 2kjz h PRO 15 N -0.62 -0.43 -0.80 1.05 0.11 -1.89 -0.71 132.00 128.71 2kjz h PRO 15 Ca 0.01 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 2kjz h PRO 15 Cb 0.60 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.78 2kjz h PRO 15 CO -0.13 -0.29 0.33 0.00 -0.21 0.00 0.00 178.00 177.70 2kjz h ALA 16 N 0.32 1.04 -0.17 -0.75 0.00 -2.00 -1.55 119.26 116.14 2kjz h ALA 16 Ca 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2kjz h ALA 16 Cb 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kjz h ALA 16 CO -0.23 0.66 -0.01 1.03 0.00 0.00 0.00 179.25 180.70 2kjz h SER 17 N 1.17 0.31 -0.51 0.00 0.87 -1.29 -2.77 113.55 111.33 2kjz h SER 17 Ca 0.27 -0.32 -0.12 0.00 -1.23 0.00 0.00 61.79 60.39 2kjz h SER 17 Cb 0.21 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2kjz h SER 17 CO -0.02 0.56 -0.13 0.74 -0.53 0.00 0.00 176.83 177.45 2kjz h THR 18 N 0.05 1.27 -0.60 2.23 2.02 -0.71 -0.91 112.91 116.26 2kjz h THR 18 Ca 0.05 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 65.88 2kjz h THR 18 Cb 0.41 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 2kjz h THR 18 CO 0.01 0.45 0.12 1.56 0.37 0.00 0.00 175.52 178.02 2kjz h GLN 19 N 0.85 0.96 -0.54 6.66 1.08 -1.40 -1.41 115.11 121.31 2kjz h GLN 19 Ca 0.13 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 2kjz h GLN 19 Cb 0.70 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 2kjz h GLN 19 CO 0.05 0.87 0.11 0.35 -0.95 0.00 0.00 178.83 179.26 2kjz h PHE 20 N 0.91 0.93 0.00 2.96 3.57 -1.11 -2.53 116.94 121.68 2kjz h PHE 20 Ca 0.19 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 2kjz h PHE 20 Cb 0.37 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2kjz h PHE 20 CO 0.02 0.82 -0.41 1.88 -2.23 0.00 0.00 178.31 178.40 2kjz h TYR 21 N 0.78 0.00 -0.21 0.41 -1.99 -0.92 -1.37 116.97 113.66 2kjz h TYR 21 Ca 0.17 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.93 2kjz h TYR 21 Cb 0.38 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.08 2kjz h TYR 21 CO 0.03 0.41 -0.00 0.87 -0.00 0.00 0.00 178.16 179.47 2kjz h LYS 22 N 0.00 0.06 -0.13 4.88 1.57 -0.83 -1.35 116.57 120.78 2kjz h LYS 22 Ca -0.00 -0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2kjz h LYS 22 Cb 0.74 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.05 2kjz h LYS 22 CO 0.05 0.04 -0.82 0.00 -0.57 0.00 0.00 179.45 178.15 2kjz h ALA 23 N 1.18 0.27 -0.75 3.86 0.00 -1.47 -1.30 119.26 121.04 2kjz h ALA 23 Ca 0.10 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2kjz h ALA 23 Cb 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2kjz h ALA 23 CO -0.16 0.68 0.48 1.25 0.00 0.00 0.00 179.25 181.49 2kjz h LEU 24 N 0.51 0.80 0.01 0.00 5.85 -1.04 -3.01 115.31 118.43 2kjz h LEU 24 Ca -0.07 -0.01 -0.35 0.00 0.84 0.00 0.00 57.88 58.30 2kjz h LEU 24 Cb 1.46 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 2kjz h LEU 24 CO 0.17 0.56 -2.19 0.18 -0.34 0.00 0.00 178.44 176.82 2kjz n LEU 25 N -4.61 0.81 0.00 2.25 4.77 -0.53 -5.01 117.00 114.68 2kjz n LEU 25 Ca 0.08 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2kjz n LEU 25 Cb 0.07 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2kjz n LEU 25 CO 0.34 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2kjz n GLY 26 N 1.78 0.91 2.97 -0.72 0.00 -0.57 -5.10 105.19 104.46 2kjz n GLY 26 Ca -0.30 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 2kjz n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kjz n VAL 27 N -2.72 0.00 -3.94 1.61 0.24 -0.73 -5.01 118.33 107.78 2kjz n VAL 27 Ca 0.00 -2.00 -0.10 0.00 -2.04 0.00 0.00 64.34 60.20 2kjz n VAL 27 Cb 0.20 0.50 -0.10 0.00 -1.47 0.00 0.00 33.84 32.97 2kjz n VAL 27 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2kjz s ASP 28 N -3.26 0.18 0.01 -1.34 -4.77 -1.26 -4.30 116.67 101.92 2kjz s ASP 28 Ca 0.06 -0.45 -0.30 0.00 -3.30 0.00 0.00 52.55 48.56 2kjz s ASP 28 Cb 0.00 0.16 -0.08 0.00 -1.09 0.00 0.00 42.92 41.92 2kjz s ASP 28 CO 0.04 -0.38 1.78 -2.16 0.70 0.00 0.00 175.17 175.15 2kjz s PRO 29 N -1.78 4.17 0.28 2.11 0.04 -1.26 -4.72 135.00 133.84 2kjz s PRO 29 Ca -0.12 2.39 0.02 0.00 0.04 0.00 0.00 61.00 63.32 2kjz s PRO 29 Cb -0.07 -3.95 0.42 0.00 0.04 0.00 0.00 34.50 30.94 2kjz s PRO 29 CO -0.01 -0.86 1.75 -0.24 0.04 0.00 0.00 177.00 177.67 2kjz h VAL 30 N 5.40 1.25 -3.33 -0.36 3.04 -1.49 -3.40 116.25 117.36 2kjz h VAL 30 Ca -0.44 -1.13 -0.66 0.00 -1.01 0.00 0.00 66.70 63.46 2kjz h VAL 30 Cb 1.21 1.18 -0.36 0.00 -2.01 0.00 0.00 31.29 31.31 2kjz h VAL 30 CO 0.94 0.37 -0.83 -1.61 -1.01 0.00 0.00 177.57 175.43 2kjz s GLU 31 N -4.67 2.59 -0.08 4.17 0.41 -0.69 -5.05 118.70 115.39 2kjz s GLU 31 Ca -0.08 -0.94 0.04 0.00 -0.41 0.00 0.00 54.97 53.58 2kjz s GLU 31 Cb 0.14 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 2kjz s GLU 31 CO 0.79 -0.34 -0.20 -1.54 -0.49 0.00 0.00 175.26 173.48 2kjz s SER 32 N 1.27 2.62 0.03 -0.19 1.04 -1.26 -0.81 113.70 116.41 2kjz s SER 32 Ca 0.00 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.98 2kjz s SER 32 Cb -0.15 -1.09 -0.02 0.00 0.10 0.00 0.00 66.02 64.85 2kjz s SER 32 CO -0.10 0.14 -0.05 -0.55 0.98 0.00 0.00 173.24 173.66 2kjz s SER 33 N 0.33 0.47 0.01 7.02 0.15 0.08 -5.01 113.70 116.75 2kjz s SER 33 Ca -0.14 -0.57 0.07 0.00 0.70 0.00 0.00 55.95 56.01 2kjz s SER 33 Cb -0.16 0.09 0.31 0.00 -1.71 0.00 0.00 66.02 64.55 2kjz s SER 33 CO 0.06 -0.30 1.23 -0.81 1.20 0.00 0.00 173.24 174.62 2kjz n PRO 34 N 1.38 0.00 0.00 5.44 -0.04 -1.26 -2.90 135.00 137.63 2kjz n PRO 34 Ca -0.22 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2kjz n PRO 34 Cb 0.56 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2kjz n PRO 34 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kjz n THR 35 N -1.52 0.00 -3.53 0.52 5.66 -1.26 -4.62 114.28 109.54 2kjz n THR 35 Ca 0.02 -0.35 -0.17 0.00 -3.05 0.00 0.00 64.05 60.50 2kjz n THR 35 Cb 0.08 1.19 -0.06 0.00 -1.55 0.00 0.00 70.33 70.00 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 -0.25 -0.60 0.05 1.09 5.36 -1.14 -3.22 117.98 119.26 2kjz s PHE 36 Ca 0.00 0.94 -0.03 0.00 -0.96 0.00 0.00 56.93 56.89 2kjz s PHE 36 Cb 0.00 0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 43.06 2kjz s PHE 36 CO 0.00 -0.63 0.02 -1.12 -1.46 0.00 0.00 175.22 172.03 2kjz s SER 37 N -1.43 0.37 -0.21 6.13 0.01 -0.62 -0.74 113.70 117.20 2kjz s SER 37 Ca -0.09 -0.85 -0.10 0.00 1.31 0.00 0.00 55.95 56.22 2kjz s SER 37 Cb -0.00 0.22 0.08 0.00 0.21 0.00 0.00 66.02 66.52 2kjz s SER 37 CO 0.06 -0.59 0.49 -0.22 0.41 0.00 0.00 173.24 173.40 2kjz s LEU 38 N -2.70 -0.53 0.06 2.44 1.98 0.01 -1.05 118.68 118.89 2kjz s LEU 38 Ca 0.03 1.12 0.03 0.00 -2.89 0.00 0.00 54.13 52.42 2kjz s LEU 38 Cb 0.05 1.65 -0.03 0.00 0.66 0.00 0.00 46.19 48.53 2kjz s LEU 38 CO -0.09 -0.22 -0.10 0.72 -1.89 0.00 0.00 176.35 174.77 2kjz s PHE 39 N 1.96 0.88 -0.09 5.38 -0.12 -0.58 -1.10 117.98 124.31 2kjz s PHE 39 Ca -0.07 -0.50 0.04 0.00 -0.05 0.00 0.00 56.93 56.35 2kjz s PHE 39 Cb -0.09 -0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 41.79 2kjz s PHE 39 CO -0.15 -0.03 -0.23 0.08 -0.05 0.00 0.00 175.22 174.84 2kjz s VAL 40 N -1.43 1.96 0.59 -2.49 1.01 -1.26 -1.39 120.40 117.39 2kjz s VAL 40 Ca -0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 2kjz s VAL 40 Cb -0.09 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.61 2kjz s VAL 40 CO 0.01 0.54 0.89 -0.76 0.00 0.00 0.00 175.10 175.78 2kjz s LEU 41 N 0.24 3.23 0.35 3.92 1.43 -0.65 -4.99 118.68 122.22 2kjz s LEU 41 Ca -0.15 0.63 0.07 0.00 -1.03 0.00 0.00 54.13 53.65 2kjz s LEU 41 Cb -0.17 -3.45 0.67 0.00 0.03 0.00 0.00 46.19 43.28 2kjz s LEU 41 CO 0.07 -1.08 1.87 0.00 0.23 0.00 0.00 176.35 177.44 2kjz h ALA 42 N -0.16 1.40 0.00 4.21 0.00 -2.01 -1.61 119.26 121.09 2kjz h ALA 42 Ca -0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 2kjz h ALA 42 Cb 1.26 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kjz h ALA 42 CO 0.60 0.42 -0.04 -0.97 0.00 0.00 0.00 179.25 179.26 2kjz h ASN 43 N 0.33 0.00 0.00 0.00 -1.24 -2.07 -3.47 115.58 109.14 2kjz h ASN 43 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2kjz h ASN 43 Cb 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 2kjz h ASN 43 CO 0.02 0.04 0.00 0.61 -1.29 0.00 0.00 177.43 176.81 2kjz n GLY 44 N -0.01 0.93 3.78 1.57 0.00 -0.60 -5.11 105.19 105.75 2kjz n GLY 44 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.68 1.68 -0.01 1.61 0.23 -1.26 -4.86 119.30 115.99 2kjz s MET 45 Ca 0.00 0.57 0.05 0.00 -1.03 0.00 0.00 55.69 55.29 2kjz s MET 45 Cb 0.00 -1.88 -0.01 0.00 -1.53 0.00 0.00 34.83 31.41 2kjz s MET 45 CO 0.00 -1.89 -0.17 0.21 -2.03 0.00 0.00 175.02 171.14 2kjz s LYS 46 N -5.15 1.39 -0.08 3.16 2.20 -0.61 -1.64 119.74 119.02 2kjz s LYS 46 Ca 0.62 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2kjz s LYS 46 Cb -0.15 -1.34 0.03 0.00 -1.51 0.00 0.00 37.83 34.87 2kjz s LYS 46 CO 0.54 0.36 0.04 -1.17 -0.36 0.00 0.00 175.35 174.76 2kjz s LEU 47 N -0.37 0.43 0.40 5.43 0.20 -0.48 -1.35 118.68 122.94 2kjz s LEU 47 Ca 0.06 -0.12 0.08 0.00 0.69 0.00 0.00 54.13 54.83 2kjz s LEU 47 Cb -0.07 -0.32 -0.02 0.00 -0.43 0.00 0.00 46.19 45.36 2kjz s LEU 47 CO -0.00 -0.24 0.40 -0.83 -0.29 0.00 0.00 176.35 175.39 2kjz s GLY 48 N 2.06 2.02 -0.23 7.98 0.00 -0.18 -1.53 107.32 117.44 2kjz s GLY 48 Ca 0.04 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 42.95 2kjz s GLY 48 CO -0.05 -1.63 0.06 1.08 0.00 0.00 0.00 173.10 172.57 2kjz s LEU 49 N -4.15 1.36 -0.21 0.66 1.02 -0.22 -1.58 118.68 115.57 2kjz s LEU 49 Ca 0.48 -1.08 -0.07 0.00 0.02 0.00 0.00 54.13 53.48 2kjz s LEU 49 Cb -0.05 -0.63 -0.03 0.00 0.02 0.00 0.00 46.19 45.49 2kjz s LEU 49 CO 0.29 -0.35 0.05 0.86 0.02 0.00 0.00 176.35 177.22 2kjz s TRP 50 N 1.83 3.14 0.19 0.29 -0.11 -0.54 -1.59 118.94 122.14 2kjz s TRP 50 Ca 0.03 -0.19 -0.30 0.00 1.22 0.00 0.00 56.10 56.86 2kjz s TRP 50 Cb -0.17 -2.13 -0.08 0.00 -1.50 0.00 0.00 33.47 29.59 2kjz s TRP 50 CO -0.16 -0.10 1.03 0.45 -4.62 0.00 0.00 176.95 173.55 2kjz s SER 51 N 0.92 7.41 0.01 5.86 0.15 -1.20 -1.66 113.70 125.19 2kjz s SER 51 Ca 0.03 2.01 0.17 0.00 0.70 0.00 0.00 55.95 58.86 2kjz s SER 51 Cb -0.14 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.29 2kjz s SER 51 CO 0.03 -0.08 1.54 -2.11 1.20 0.00 0.00 173.24 173.82 2kjz n ARG 52 N 2.11 0.01 0.14 5.44 1.85 -0.40 -1.56 116.66 124.25 2kjz n ARG 52 Ca 0.01 0.22 0.09 0.00 -1.00 0.00 0.00 57.85 57.17 2kjz n ARG 52 Cb 0.47 -1.51 0.06 0.00 -1.05 0.00 0.00 32.46 30.43 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 -0.07 2.89 2.07 -1.87 -3.36 115.15 114.81 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 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 2kjz h HIS 53 CO 0.00 0.12 0.00 -2.37 -3.07 0.00 0.00 177.93 172.61 2kjz n THR 54 N -2.92 0.46 -2.41 6.12 5.66 -0.79 -5.04 114.28 115.36 2kjz n THR 54 Ca 0.01 -0.73 -0.37 0.00 -3.05 0.00 0.00 64.05 59.91 2kjz n THR 54 Cb 0.59 0.82 -0.03 0.00 -1.55 0.00 0.00 70.33 70.17 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 -0.66 3.42 -0.18 1.08 0.11 -0.60 -4.95 120.40 118.62 2kjz s VAL 55 Ca 0.07 1.12 0.01 0.00 -2.93 0.00 0.00 61.98 60.25 2kjz s VAL 55 Cb 0.04 -3.59 0.04 0.00 -1.53 0.00 0.00 36.38 31.33 2kjz s VAL 55 CO 0.06 0.04 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.15 2kjz s GLU 56 N -2.46 2.04 0.22 1.54 2.02 -1.26 -2.02 118.70 118.79 2kjz s GLU 56 Ca 0.58 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.57 2kjz s GLU 56 Cb -0.26 -2.25 -0.08 0.00 0.10 0.00 0.00 34.13 31.63 2kjz s GLU 56 CO 0.32 -0.36 1.03 -2.14 0.02 0.00 0.00 175.26 174.13 2kjz s PRO 57 N 1.46 4.71 -0.23 0.39 0.02 -1.26 -5.09 135.00 134.99 2kjz s PRO 57 Ca 0.01 1.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.38 2kjz s PRO 57 Cb -0.15 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 2kjz s PRO 57 CO -0.09 0.27 1.89 0.21 -0.33 0.00 0.00 177.00 178.96 2kjz s LYS 58 N -0.89 3.49 -0.12 5.54 2.36 -0.85 -4.98 119.74 124.28 2kjz s LYS 58 Ca 0.45 1.80 0.02 0.00 -2.55 0.00 0.00 55.97 55.69 2kjz s LYS 58 Cb -0.28 -4.20 -0.00 0.00 -1.05 0.00 0.00 37.83 32.29 2kjz s LYS 58 CO 0.35 -1.68 -0.18 0.00 1.55 0.00 0.00 175.35 175.39 2kjz s ALA 59 N 6.58 2.39 -1.08 3.13 0.00 -1.26 -5.06 121.76 126.46 2kjz s ALA 59 Ca 0.85 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 2kjz s ALA 59 Cb -0.28 -1.04 0.16 0.00 0.00 0.00 0.00 23.12 21.96 2kjz s ALA 59 CO 0.34 0.20 1.27 -1.54 0.00 0.00 0.00 175.76 176.03 2kjz s SER 60 N 0.46 6.90 -0.03 0.00 1.04 -1.26 -4.88 113.70 115.93 2kjz s SER 60 Ca -0.13 -2.65 -0.29 0.00 0.48 0.00 0.00 55.95 53.36 2kjz s SER 60 Cb -0.17 -2.38 0.07 0.00 0.10 0.00 0.00 66.02 63.64 2kjz s SER 60 CO 0.06 -0.84 0.65 0.68 0.98 0.00 0.00 173.24 174.76 2kjz s VAL 61 N 1.81 0.00 -0.29 5.02 -7.23 -1.26 -5.17 120.40 113.28 2kjz s VAL 61 Ca 0.37 -0.04 -0.16 0.00 -1.81 0.00 0.00 61.98 60.35 2kjz s VAL 61 Cb -0.04 -0.98 0.16 0.00 0.56 0.00 0.00 36.38 36.08 2kjz s VAL 61 CO -0.04 -0.02 1.02 0.42 -0.31 0.00 0.00 175.10 176.17 2kjz s THR 62 N -1.42 -0.13 0.00 5.32 -4.23 -1.26 -5.03 115.64 108.89 2kjz s THR 62 Ca -0.10 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2kjz s THR 62 Cb -0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2kjz s THR 62 CO 0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2kjz n GLY 63 N 3.99 1.03 3.59 3.99 0.00 -1.26 -5.13 105.19 111.40 2kjz n GLY 63 Ca -0.16 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.40 0.00 -0.02 0.00 -1.26 -4.71 107.32 100.93 2kjz s GLY 64 Ca 0.00 2.00 0.00 0.00 0.00 0.00 0.00 44.72 46.72 2kjz s GLY 64 CO 0.00 1.41 0.00 0.61 0.00 0.00 0.00 173.10 175.12 2kjz n GLY 65 N 1.70 0.26 3.53 0.20 0.00 -1.26 -5.13 105.19 104.50 2kjz n GLY 65 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -0.52 0.09 -0.02 0.00 -1.26 -5.18 107.32 100.44 2kjz s GLY 66 Ca 0.00 1.48 0.02 0.00 0.00 0.00 0.00 44.72 46.21 2kjz s GLY 66 CO 0.00 1.01 0.19 -0.54 0.00 0.00 0.00 173.10 173.76 2kjz s GLU 67 N -1.11 3.27 -0.42 2.90 0.41 -1.26 -4.50 118.70 117.99 2kjz s GLU 67 Ca -0.09 -0.57 -0.06 0.00 -0.41 0.00 0.00 54.97 53.84 2kjz s GLU 67 Cb -0.00 -2.92 0.10 0.00 -1.78 0.00 0.00 34.13 29.53 2kjz s GLU 67 CO 0.08 0.57 0.24 -1.17 -0.49 0.00 0.00 175.26 174.49 2kjz s LEU 68 N -2.70 5.25 -0.29 1.80 2.96 -0.22 -4.94 118.68 120.54 2kjz s LEU 68 Ca 0.33 -1.82 -0.23 0.00 -0.22 0.00 0.00 54.13 52.20 2kjz s LEU 68 Cb -0.12 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 2kjz s LEU 68 CO 0.26 -0.56 0.74 0.00 -1.32 0.00 0.00 176.35 175.47 2kjz s ALA 69 N 1.28 3.56 -0.26 5.97 0.00 -1.26 -0.72 121.76 130.33 2kjz s ALA 69 Ca 0.05 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 2kjz s ALA 69 Cb -0.24 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2kjz s ALA 69 CO -0.02 -1.09 0.33 -0.06 0.00 0.00 0.00 175.76 174.93 2kjz s PHE 70 N 2.81 3.27 -0.23 0.00 0.40 0.59 -4.96 117.98 119.87 2kjz s PHE 70 Ca 0.30 0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 56.92 2kjz s PHE 70 Cb -0.15 -2.51 -0.05 0.00 0.51 0.00 0.00 43.02 40.83 2kjz s PHE 70 CO 0.11 -0.15 0.15 1.03 0.70 0.00 0.00 175.22 177.06 2kjz s ARG 71 N 1.79 4.11 0.21 0.44 0.52 -1.26 -2.17 118.95 122.58 2kjz s ARG 71 Ca 0.14 -0.25 0.05 0.00 -0.52 0.00 0.00 55.73 55.15 2kjz s ARG 71 Cb -0.15 -3.50 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 2kjz s ARG 71 CO 0.09 0.14 -0.08 0.14 0.02 0.00 0.00 175.30 175.62 2kjz s VAL 72 N 0.82 1.35 0.23 3.52 -7.23 -1.24 -5.04 120.40 112.81 2kjz s VAL 72 Ca 0.08 -2.10 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2kjz s VAL 72 Cb -0.13 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2kjz s VAL 72 CO 0.02 -0.51 1.56 1.05 -0.31 0.00 0.00 175.10 176.91 2kjz h GLU 73 N 2.55 0.33 -2.80 4.82 4.11 -1.96 -3.41 114.58 118.22 2kjz h GLU 73 Ca -0.38 -0.21 0.06 0.00 0.07 0.00 0.00 59.36 58.90 2kjz h GLU 73 Cb 1.21 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2kjz h GLU 73 CO 0.64 0.80 0.42 0.54 0.07 0.00 0.00 179.01 181.48 2kjz s ASN 74 N -6.90 0.02 0.38 3.06 2.20 -1.26 -4.78 114.94 107.66 2kjz s ASN 74 Ca -0.05 -0.96 0.06 0.00 -0.94 0.00 0.00 52.86 50.97 2kjz s ASN 74 Cb 0.12 0.70 0.76 0.00 -2.00 0.00 0.00 41.25 40.83 2kjz s ASN 74 CO 0.81 -1.39 1.99 -2.24 -2.94 0.00 0.00 177.10 173.33 2kjz h ASP 75 N 2.00 0.49 -0.49 3.54 2.03 -1.93 -1.99 116.42 120.06 2kjz h ASP 75 Ca -0.31 -0.04 -0.03 0.00 -0.73 0.00 0.00 57.03 55.93 2kjz h ASP 75 Cb 1.23 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.59 2kjz h ASP 75 CO 0.39 0.43 0.20 0.00 -1.03 0.00 0.00 179.24 179.23 2kjz h ALA 76 N 1.65 0.64 0.00 4.15 0.00 -2.00 -2.48 119.26 121.23 2kjz h ALA 76 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kjz h ALA 76 Cb 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2kjz h ALA 76 CO -0.02 0.25 -0.05 1.96 0.00 0.00 0.00 179.25 181.40 2kjz h GLN 77 N 0.66 0.00 -0.14 0.00 1.08 -1.78 -0.67 115.11 114.25 2kjz h GLN 77 Ca 0.16 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.16 2kjz h GLN 77 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2kjz h GLN 77 CO -0.01 0.05 -0.74 0.28 -0.95 0.00 0.00 178.83 177.46 2kjz h VAL 78 N 0.00 1.31 -0.04 -0.54 2.07 -1.37 -2.40 116.25 115.28 2kjz h VAL 78 Ca -0.00 -2.00 -0.16 0.00 0.82 0.00 0.00 66.70 65.36 2kjz h VAL 78 Cb 0.30 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2kjz h VAL 78 CO 0.01 0.62 -0.69 -0.78 0.02 0.00 0.00 177.57 176.75 2kjz h ASP 79 N 0.46 0.22 -0.45 0.57 3.58 -1.04 0.13 116.42 119.89 2kjz h ASP 79 Ca -0.04 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.13 2kjz h ASP 79 Cb 1.34 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 2kjz h ASP 79 CO 0.14 0.84 -0.27 -0.33 -2.88 0.00 0.00 179.24 176.74 2kjz h GLU 80 N 0.13 0.98 -0.12 0.28 5.08 -1.22 -2.00 114.58 117.70 2kjz h GLU 80 Ca -0.02 -0.45 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 2kjz h GLU 80 Cb 1.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2kjz h GLU 80 CO 0.10 1.12 -0.38 1.15 -1.00 0.00 0.00 179.01 180.00 2kjz h THR 81 N 0.82 1.30 0.81 1.13 2.02 -1.28 -1.64 112.91 116.07 2kjz h THR 81 Ca 0.09 -1.46 -0.04 0.00 0.77 0.00 0.00 66.41 65.77 2kjz h THR 81 Cb 0.86 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 68.91 2kjz h THR 81 CO 0.08 0.44 -0.39 0.15 0.37 0.00 0.00 175.52 176.17 2kjz h PHE 82 N 0.23 -1.01 -0.62 3.16 3.04 -0.47 -1.77 116.94 119.49 2kjz h PHE 82 Ca 0.02 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2kjz h PHE 82 Cb 0.79 0.33 -0.03 0.00 2.56 0.00 0.00 35.95 39.60 2kjz h PHE 82 CO 0.02 -0.63 0.27 0.00 -2.02 0.00 0.00 178.31 175.94 2kjz h ALA 83 N -1.37 1.30 -0.28 2.41 0.00 -1.44 -1.77 119.26 118.10 2kjz h ALA 83 Ca -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2kjz h ALA 83 Cb 0.84 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kjz h ALA 83 CO 0.18 0.53 0.08 0.78 0.00 0.00 0.00 179.25 180.82 2kjz h GLY 84 N 0.99 0.48 0.94 0.00 0.00 -1.31 -1.39 103.07 102.79 2kjz h GLY 84 Ca 0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2kjz h GLY 84 CO -0.02 0.28 -0.02 1.49 0.00 0.00 0.00 176.54 178.27 2kjz h TRP 85 N 0.30 -0.04 -0.68 5.60 4.06 -1.12 -1.86 115.95 122.21 2kjz h TRP 85 Ca 0.09 -0.00 0.12 0.00 2.06 0.00 0.00 58.89 61.16 2kjz h TRP 85 Cb 0.27 0.01 -0.08 0.00 -1.00 0.00 0.00 29.16 28.36 2kjz h TRP 85 CO 0.01 0.03 0.25 -0.22 -3.56 0.00 0.00 178.44 174.96 2kjz h LYS 86 N -0.11 0.40 0.00 0.49 3.64 -1.28 -1.10 116.57 118.62 2kjz h LYS 86 Ca -0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2kjz h LYS 86 Cb 0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2kjz h LYS 86 CO 0.01 0.27 -0.25 0.00 -2.27 0.00 0.00 179.45 177.21 2kjz h ALA 87 N 1.48 0.99 -0.65 5.00 0.00 -1.12 -3.03 119.26 121.93 2kjz h ALA 87 Ca 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kjz h ALA 87 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kjz h ALA 87 CO -0.36 0.31 0.00 0.43 0.00 0.00 0.00 179.25 179.63 2kjz n SER 88 N -3.37 3.74 0.00 0.00 7.64 -0.49 -4.93 113.62 116.21 2kjz n SER 88 Ca 0.00 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.79 2kjz n SER 88 Cb 0.46 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2kjz n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kjz n GLY 89 N 1.45 1.19 3.74 0.23 0.00 -0.90 -5.00 105.19 105.89 2kjz n GLY 89 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 4.21 0.35 1.61 1.01 -0.76 -4.01 120.40 120.80 2kjz s VAL 90 Ca 0.00 1.92 0.05 0.00 0.00 0.00 0.00 61.98 63.95 2kjz s VAL 90 Cb 0.00 -4.23 0.29 0.00 0.00 0.00 0.00 36.38 32.44 2kjz s VAL 90 CO 0.00 0.34 1.96 0.00 0.00 0.00 0.00 175.10 177.39 2kjz h ALA 91 N 5.15 1.65 -4.22 5.51 0.00 -1.44 -3.41 119.26 122.50 2kjz h ALA 91 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kjz h ALA 91 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kjz h ALA 91 CO 0.71 0.24 -0.37 -0.12 0.00 0.00 0.00 179.25 179.71 2kjz n MET 92 N -4.48 -1.54 -3.58 0.00 0.00 -1.25 -5.00 117.12 101.28 2kjz n MET 92 Ca 0.11 1.53 -0.29 0.00 0.00 0.00 0.00 57.70 59.05 2kjz n MET 92 Cb 0.20 -3.67 -0.12 0.00 0.00 0.00 0.00 33.22 29.64 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 -1.53 2.08 -0.30 -0.89 -0.00 -1.26 -5.02 118.68 111.77 2kjz s LEU 93 Ca 0.09 -2.73 -0.25 0.00 -0.00 0.00 0.00 54.13 51.23 2kjz s LEU 93 Cb -0.02 -0.76 0.20 0.00 -0.00 0.00 0.00 46.19 45.61 2kjz s LEU 93 CO 0.43 -0.24 1.48 -1.58 -0.00 0.00 0.00 176.35 176.44 2kjz s GLN 94 N 0.31 0.01 -0.37 1.48 2.00 -1.26 -4.76 119.66 117.07 2kjz s GLN 94 Ca 0.22 0.02 -0.20 0.00 -2.00 0.00 0.00 55.36 53.40 2kjz s GLN 94 Cb -0.15 0.01 0.00 0.00 0.80 0.00 0.00 33.01 33.67 2kjz s GLN 94 CO -0.06 -0.00 0.59 -0.65 -0.50 0.00 0.00 175.29 174.66 2kjz s GLN 95 N -0.07 3.57 -0.27 1.67 -0.21 -1.26 -4.95 119.66 118.14 2kjz s GLN 95 Ca 0.08 -0.13 -0.28 0.00 0.02 0.00 0.00 55.36 55.05 2kjz s GLN 95 Cb -0.05 -3.84 -0.05 0.00 1.00 0.00 0.00 33.01 30.08 2kjz s GLN 95 CO -0.16 -0.75 2.16 -1.25 -2.12 0.00 0.00 175.29 173.16 2kjz s PRO 96 N 2.59 3.06 0.02 2.91 0.04 -1.26 -4.82 135.00 137.54 2kjz s PRO 96 Ca 0.22 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.13 2kjz s PRO 96 Cb -0.15 -4.36 -0.01 0.00 0.04 0.00 0.00 34.50 30.01 2kjz s PRO 96 CO 0.15 -2.19 -0.10 0.00 0.04 0.00 0.00 177.00 174.91 2kjz s ALA 97 N 8.45 0.79 -0.36 8.56 0.00 -0.93 -4.91 121.76 133.35 2kjz s ALA 97 Ca 0.96 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.08 2kjz s ALA 97 Cb -0.29 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2kjz s ALA 97 CO 0.34 0.14 2.13 0.15 0.00 0.00 0.00 175.76 178.52 2kjz s LYS 98 N -0.74 2.85 0.46 0.00 -0.14 -1.26 -1.18 119.74 119.73 2kjz s LYS 98 Ca 0.00 1.57 0.01 0.00 -1.36 0.00 0.00 55.97 56.19 2kjz s LYS 98 Cb -0.06 -4.39 0.09 0.00 -1.68 0.00 0.00 37.83 31.79 2kjz s LYS 98 CO 0.00 -2.43 0.63 -0.12 -0.76 0.00 0.00 175.35 172.67 2kjz n MET 99 N 8.80 0.26 0.22 1.68 1.56 -0.57 -4.95 117.12 124.12 2kjz n MET 99 Ca 0.29 -1.84 0.07 0.00 -0.27 0.00 0.00 57.70 55.95 2kjz n MET 99 Cb 0.49 -0.38 0.52 0.00 2.15 0.00 0.00 33.22 35.99 2kjz n MET 99 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 2kjz h GLU 100 N 0.00 0.00 -3.20 2.12 4.39 -2.04 -3.36 114.58 112.49 2kjz h GLU 100 Ca -0.21 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.88 2kjz h GLU 100 Cb 0.81 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.06 2kjz h GLU 100 CO 0.24 0.24 -0.74 -0.06 -1.16 0.00 0.00 179.01 177.53 2kjz s PHE 101 N -4.22 2.01 0.32 4.33 0.08 -1.26 -5.09 117.98 114.15 2kjz s PHE 101 Ca -0.03 -2.30 0.00 0.00 0.12 0.00 0.00 56.93 54.73 2kjz s PHE 101 Cb 0.14 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 2kjz s PHE 101 CO 0.66 -0.81 0.00 0.41 -0.10 0.00 0.00 175.22 175.38 2kjz n GLY 102 N 3.88 -2.91 3.57 4.36 0.00 -1.26 -4.72 105.19 108.10 2kjz n GLY 102 Ca 0.06 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.52 1.72 -0.08 1.61 5.04 -0.14 -1.51 117.35 120.48 2kjz s TYR 103 Ca 0.00 0.76 -0.04 0.00 -2.44 0.00 0.00 57.07 55.35 2kjz s TYR 103 Cb 0.00 -4.09 -0.04 0.00 0.35 0.00 0.00 41.96 38.18 2kjz s TYR 103 CO 0.00 -2.51 0.09 -0.08 -1.34 0.00 0.00 175.55 171.71 2kjz s THR 104 N 8.30 4.97 -0.18 4.34 -1.32 -0.32 -1.85 115.64 129.58 2kjz s THR 104 Ca 0.72 -0.08 -0.09 0.00 -1.21 0.00 0.00 61.69 61.03 2kjz s THR 104 Cb -0.16 -3.18 0.07 0.00 -1.51 0.00 0.00 72.50 67.72 2kjz s THR 104 CO 0.26 0.54 0.41 0.12 -2.21 0.00 0.00 174.62 173.74 2kjz s PHE 105 N -1.04 -0.64 -0.05 9.09 5.36 -0.37 -2.20 117.98 128.13 2kjz s PHE 105 Ca 0.17 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.48 2kjz s PHE 105 Cb -0.12 0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.86 2kjz s PHE 105 CO 0.07 -0.38 -0.02 0.99 -1.46 0.00 0.00 175.22 174.42 2kjz s THR 106 N 1.69 0.43 0.28 0.12 2.01 -1.26 -0.19 115.64 118.72 2kjz s THR 106 Ca -0.08 -0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.02 2kjz s THR 106 Cb -0.09 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 2kjz s THR 106 CO -0.13 0.23 -0.14 0.00 -0.69 0.00 0.00 174.62 173.89 2kjz s ALA 107 N 1.35 2.61 -0.32 7.40 0.00 -0.41 -4.42 121.76 127.97 2kjz s ALA 107 Ca -0.05 -1.90 -0.07 0.00 0.00 0.00 0.00 51.96 49.95 2kjz s ALA 107 Cb -0.13 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.91 2kjz s ALA 107 CO -0.02 0.13 0.09 0.00 0.00 0.00 0.00 175.76 175.96 2kjz s ALA 108 N -2.70 3.06 1.14 0.00 0.00 -1.26 -2.58 121.76 119.41 2kjz s ALA 108 Ca 0.29 -1.60 -0.18 0.00 0.00 0.00 0.00 51.96 50.47 2kjz s ALA 108 Cb -0.01 -2.21 0.26 0.00 0.00 0.00 0.00 23.12 21.16 2kjz s ALA 108 CO 0.13 -1.13 1.15 0.16 0.00 0.00 0.00 175.76 176.08 2kjz s ASP 109 N 1.45 1.50 0.27 0.00 1.47 -1.26 -1.26 116.67 118.83 2kjz s ASP 109 Ca 0.01 0.59 -0.10 0.00 1.18 0.00 0.00 52.55 54.23 2kjz s ASP 109 Cb -0.18 -0.82 0.42 0.00 -0.34 0.00 0.00 42.92 41.99 2kjz s ASP 109 CO 0.03 -3.76 1.56 -0.65 0.68 0.00 0.00 175.17 173.03 2kjz h PRO 110 N -2.34 -0.00 0.00 2.11 0.11 -1.95 -0.82 132.00 129.11 2kjz h PRO 110 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kjz h PRO 110 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2kjz h PRO 110 CO 0.37 -0.00 0.00 0.22 -0.21 0.00 0.00 178.00 178.38 2kjz h ASP 111 N -0.00 0.00 -3.98 -2.05 1.82 -1.95 -3.48 116.42 106.77 2kjz h ASP 111 Ca 0.45 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 57.00 2kjz h ASP 111 Cb 0.69 0.00 0.07 0.00 0.68 0.00 0.00 39.33 40.77 2kjz h ASP 111 CO -0.99 0.00 -0.30 -1.20 -1.61 0.00 0.00 179.24 175.14 2kjz n SER 112 N -2.76 -3.94 -4.77 2.28 7.64 -0.31 -4.87 113.62 106.89 2kjz n SER 112 Ca 0.05 -0.25 -0.23 0.00 1.01 0.00 0.00 58.87 59.44 2kjz n SER 112 Cb 0.48 -2.45 0.09 0.00 -1.01 0.00 0.00 64.21 61.32 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 -3.14 2.03 -0.62 1.43 0.09 -1.26 -4.58 115.29 109.23 2kjz s HIS 113 Ca 0.16 -0.15 -0.19 0.00 -0.00 0.00 0.00 55.06 54.88 2kjz s HIS 113 Cb -0.02 -2.95 0.11 0.00 -0.00 0.00 0.00 32.58 29.72 2kjz s HIS 113 CO 0.30 -1.47 0.74 1.03 -0.00 0.00 0.00 174.74 175.34 2kjz s ARG 114 N -5.05 3.10 -0.43 1.40 1.81 -1.26 -4.21 118.95 114.30 2kjz s ARG 114 Ca 0.63 -1.38 -0.10 0.00 -1.72 0.00 0.00 55.73 53.17 2kjz s ARG 114 Cb -0.07 -4.31 0.09 0.00 -0.45 0.00 0.00 34.95 30.21 2kjz s ARG 114 CO 0.43 -1.56 0.29 -0.51 -0.68 0.00 0.00 175.30 173.27 2kjz s LEU 115 N 2.63 5.29 0.13 2.53 1.43 -1.07 -1.05 118.68 128.58 2kjz s LEU 115 Ca 0.13 -1.56 -0.09 0.00 -1.03 0.00 0.00 54.13 51.58 2kjz s LEU 115 Cb -0.22 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 2kjz s LEU 115 CO 0.05 -0.58 0.44 -0.60 0.23 0.00 0.00 176.35 175.90 2kjz s ARG 116 N 1.43 3.76 -0.00 1.70 3.00 0.10 -1.29 118.95 127.66 2kjz s ARG 116 Ca 0.04 0.18 0.00 0.00 -1.00 0.00 0.00 55.73 54.94 2kjz s ARG 116 Cb -0.24 -2.88 -0.00 0.00 0.00 0.00 0.00 34.95 31.83 2kjz s ARG 116 CO 0.02 0.48 -0.00 0.08 0.00 0.00 0.00 175.30 175.88 2kjz s VAL 117 N -1.55 0.03 0.28 7.11 1.01 0.73 -0.30 120.40 127.71 2kjz s VAL 117 Ca 0.38 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2kjz s VAL 117 Cb -0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 36.38 36.16 2kjz s VAL 117 CO 0.20 0.01 0.10 -0.72 0.00 0.00 0.00 175.10 174.70 2kjz s TYR 118 N -0.01 1.60 -0.17 5.22 1.13 -0.92 -1.23 117.35 122.97 2kjz s TYR 118 Ca 0.00 -1.20 -0.01 0.00 -1.41 0.00 0.00 57.07 54.45 2kjz s TYR 118 Cb -0.00 -0.94 0.05 0.00 -1.10 0.00 0.00 41.96 39.96 2kjz s TYR 118 CO -0.00 -0.33 -0.02 0.00 -2.51 0.00 0.00 175.55 172.69 2kjz s ALA 119 N -3.66 1.30 0.04 9.51 0.00 -0.77 -3.62 121.76 124.55 2kjz s ALA 119 Ca 0.37 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 2kjz s ALA 119 Cb 0.07 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 2kjz s ALA 119 CO 0.15 -0.88 1.17 0.12 0.00 0.00 0.00 175.76 176.31 2kjz s PHE 120 N 1.72 3.43 -0.85 0.00 5.36 -1.26 -0.96 117.98 125.41 2kjz s PHE 120 Ca 0.00 1.34 -0.25 0.00 -0.96 0.00 0.00 56.93 57.06 2kjz s PHE 120 Cb -0.16 -3.38 -0.01 0.00 -0.34 0.00 0.00 43.02 39.13 2kjz s PHE 120 CO -0.07 -1.12 1.74 0.00 -1.46 0.00 0.00 175.22 174.30 2kjz s ALA 121 N 1.24 2.14 -2.23 11.12 0.00 -1.26 -4.91 121.76 127.85 2kjz s ALA 121 Ca 0.57 -1.49 0.18 0.00 0.00 0.00 0.00 51.96 51.22 2kjz s ALA 121 Cb -0.28 -4.46 0.14 0.00 0.00 0.00 0.00 23.12 18.52 2kjz s ALA 121 CO 0.28 -4.17 1.07 0.41 0.00 0.00 0.00 175.76 173.35