#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 4.25 -0.14 3.17 2.01 -1.26 -5.07 115.64 118.60 2kjz s THR 2 Ca 0.00 1.76 0.00 0.00 0.31 0.00 0.00 61.69 63.76 2kjz s THR 2 Cb 0.00 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2kjz s THR 2 CO 0.00 0.10 -0.14 -1.00 -0.69 0.00 0.00 174.62 172.89 2kjz s HIS 3 N -1.66 2.79 -0.61 4.92 0.09 -1.26 -5.10 115.29 114.46 2kjz s HIS 3 Ca 0.51 -0.80 -0.21 0.00 -0.00 0.00 0.00 55.06 54.55 2kjz s HIS 3 Cb -0.18 -1.86 0.08 0.00 -0.00 0.00 0.00 32.58 30.63 2kjz s HIS 3 CO 0.23 -0.32 0.83 -1.25 -0.00 0.00 0.00 174.74 174.23 2kjz s PRO 4 N 0.53 3.11 0.00 8.40 0.04 -1.26 -4.86 135.00 140.96 2kjz s PRO 4 Ca -0.09 -0.96 0.29 0.00 0.04 0.00 0.00 61.00 60.28 2kjz s PRO 4 Cb -0.16 -4.21 1.34 0.00 0.04 0.00 0.00 34.50 31.52 2kjz s PRO 4 CO 0.04 -1.61 1.92 -0.40 0.04 0.00 0.00 177.00 176.98 2kjz n ASP 5 N 7.01 0.64 -4.11 6.66 5.68 -1.26 -4.81 116.55 126.36 2kjz n ASP 5 Ca -0.06 -0.95 -0.33 0.00 -0.50 0.00 0.00 54.79 52.96 2kjz n ASP 5 Cb 0.45 -0.03 -0.15 0.00 -1.14 0.00 0.00 41.12 40.25 2kjz n ASP 5 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2kjz s PHE 6 N -2.22 3.16 -0.14 2.11 5.36 -1.26 -1.31 117.98 123.69 2kjz s PHE 6 Ca 0.36 -2.04 -0.03 0.00 -0.96 0.00 0.00 56.93 54.27 2kjz s PHE 6 Cb 0.21 -1.98 -0.03 0.00 -0.34 0.00 0.00 43.02 40.89 2kjz s PHE 6 CO 0.41 -0.84 -0.05 -0.08 -1.46 0.00 0.00 175.22 173.20 2kjz s THR 7 N 1.19 3.78 -0.11 0.12 -1.32 -0.63 -5.00 115.64 113.67 2kjz s THR 7 Ca -0.05 -0.41 0.01 0.00 -1.21 0.00 0.00 61.69 60.03 2kjz s THR 7 Cb -0.18 -2.63 -0.02 0.00 -1.51 0.00 0.00 72.50 68.16 2kjz s THR 7 CO -0.05 0.52 -0.14 -0.63 -2.21 0.00 0.00 174.62 172.10 2kjz s ILE 8 N 0.15 2.98 0.54 5.08 1.01 -1.26 -1.05 121.20 128.65 2kjz s ILE 8 Ca -0.02 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 59.98 2kjz s ILE 8 Cb -0.14 -2.22 0.05 0.00 0.01 0.00 0.00 42.46 40.16 2kjz s ILE 8 CO 0.03 0.54 0.74 -0.76 0.00 0.00 0.00 174.94 175.50 2kjz s LEU 9 N 0.09 3.32 -0.11 2.97 1.43 -0.70 -4.92 118.68 120.75 2kjz s LEU 9 Ca -0.06 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2kjz s LEU 9 Cb -0.15 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.73 2kjz s LEU 9 CO 0.05 -1.17 -0.07 -0.72 0.23 0.00 0.00 176.35 174.67 2kjz s TYR 10 N -2.66 1.36 0.16 0.29 1.13 -1.25 -1.29 117.35 115.10 2kjz s TYR 10 Ca 0.59 -0.65 0.08 0.00 -1.41 0.00 0.00 57.07 55.68 2kjz s TYR 10 Cb -0.08 -1.17 -0.04 0.00 -1.10 0.00 0.00 41.96 39.57 2kjz s TYR 10 CO 0.38 -0.48 -0.17 0.14 -2.51 0.00 0.00 175.55 172.90 2kjz s VAL 11 N 1.72 1.74 -0.15 -3.49 -7.23 -0.76 -4.88 120.40 107.35 2kjz s VAL 11 Ca 0.04 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 2kjz s VAL 11 Cb -0.13 -1.83 -0.08 0.00 0.56 0.00 0.00 36.38 34.91 2kjz s VAL 11 CO -0.08 -0.37 0.01 -0.78 -0.31 0.00 0.00 175.10 173.57 2kjz h ASP 12 N 3.19 0.00 -3.56 4.85 3.58 -1.89 -0.92 116.42 121.66 2kjz h ASP 12 Ca -0.41 -0.19 -0.68 0.00 0.42 0.00 0.00 57.03 56.17 2kjz h ASP 12 Cb 1.21 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.08 2kjz h ASP 12 CO 0.53 0.92 -0.09 0.21 -2.88 0.00 0.00 179.24 177.92 2kjz s ASN 13 N -6.02 6.24 0.10 2.28 3.84 -1.26 -4.76 114.94 115.36 2kjz s ASN 13 Ca -0.16 -0.52 -0.32 0.00 0.21 0.00 0.00 52.86 52.07 2kjz s ASN 13 Cb 0.02 -2.26 -0.13 0.00 -0.55 0.00 0.00 41.25 38.34 2kjz s ASN 13 CO 0.31 -0.64 1.60 -0.65 -2.79 0.00 0.00 177.10 174.93 2kjz h PRO 14 N 8.76 -0.71 0.72 0.43 0.11 -1.88 -2.74 132.00 136.69 2kjz h PRO 14 Ca -0.26 0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 2kjz h PRO 14 Cb 1.11 0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2kjz h PRO 14 CO 0.83 -0.48 -0.43 -1.35 -0.21 0.00 0.00 178.00 176.36 2kjz h PRO 15 N -0.74 -1.04 -0.63 1.05 0.11 -1.95 -2.85 132.00 125.93 2kjz h PRO 15 Ca -0.01 0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.17 2kjz h PRO 15 Cb 0.69 0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 2kjz h PRO 15 CO -0.12 -0.70 0.42 0.00 -0.21 0.00 0.00 178.00 177.39 2kjz h ALA 16 N -0.90 0.80 0.01 -0.75 0.00 -2.00 -0.80 119.26 115.63 2kjz h ALA 16 Ca -0.09 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 2kjz h ALA 16 Cb 0.87 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2kjz h ALA 16 CO 0.10 0.24 -0.93 0.77 0.00 0.00 0.00 179.25 179.43 2kjz h SER 17 N 0.86 0.35 -0.16 0.00 0.02 -1.58 -2.48 113.55 110.55 2kjz h SER 17 Ca 0.23 -0.29 -0.22 0.00 -0.84 0.00 0.00 61.79 60.67 2kjz h SER 17 Cb -0.10 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.34 2kjz h SER 17 CO -0.05 1.11 -0.74 0.74 -1.14 0.00 0.00 176.83 176.74 2kjz h THR 18 N 0.14 1.28 -0.70 -2.27 2.02 -1.21 -2.80 112.91 109.37 2kjz h THR 18 Ca -0.06 -1.94 0.01 0.00 0.77 0.00 0.00 66.41 65.19 2kjz h THR 18 Cb 1.57 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 69.87 2kjz h THR 18 CO 0.15 0.62 0.46 1.56 0.37 0.00 0.00 175.52 178.68 2kjz h GLN 19 N 0.56 0.90 -0.44 6.66 1.08 -1.20 -0.96 115.11 121.70 2kjz h GLN 19 Ca -0.04 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2kjz h GLN 19 Cb 1.37 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 2kjz h GLN 19 CO 0.15 0.60 0.17 0.35 -0.95 0.00 0.00 178.83 179.16 2kjz h PHE 20 N 0.93 0.67 0.00 2.96 3.57 -1.29 -2.30 116.94 121.48 2kjz h PHE 20 Ca 0.26 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 2kjz h PHE 20 Cb -0.07 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 2kjz h PHE 20 CO -0.00 0.58 -0.50 1.88 -2.23 0.00 0.00 178.31 178.04 2kjz h TYR 21 N 0.57 0.00 -0.36 0.41 0.05 -1.20 -2.24 116.97 114.20 2kjz h TYR 21 Ca 0.15 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.97 2kjz h TYR 21 Cb 0.20 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 2kjz h TYR 21 CO 0.00 0.50 0.12 0.87 -1.05 0.00 0.00 178.16 178.60 2kjz h LYS 22 N 0.00 0.25 0.10 4.88 1.57 -0.61 -1.01 116.57 121.75 2kjz h LYS 22 Ca -0.01 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.49 2kjz h LYS 22 Cb 0.93 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.20 2kjz h LYS 22 CO 0.07 0.17 -1.17 0.00 -0.57 0.00 0.00 179.45 177.94 2kjz h ALA 23 N 1.24 0.13 -0.73 3.86 0.00 -1.57 -1.14 119.26 121.06 2kjz h ALA 23 Ca 0.17 -0.80 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2kjz h ALA 23 Cb 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2kjz h ALA 23 CO -0.18 0.83 0.25 1.25 0.00 0.00 0.00 179.25 181.40 2kjz h LEU 24 N 0.18 1.04 0.07 0.00 5.85 -1.17 -3.08 115.31 118.20 2kjz h LEU 24 Ca -0.14 -0.19 -0.37 0.00 0.84 0.00 0.00 57.88 58.02 2kjz h LEU 24 Cb 1.85 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 2kjz h LEU 24 CO 0.21 0.95 -2.12 0.18 -0.34 0.00 0.00 178.44 177.32 2kjz n LEU 25 N -4.30 2.44 0.00 2.25 4.77 -0.40 -5.01 117.00 116.74 2kjz n LEU 25 Ca 0.06 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2kjz n LEU 25 Cb 0.21 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 2kjz n LEU 25 CO 0.41 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 2kjz n GLY 26 N 2.02 1.16 3.73 -0.72 0.00 -0.54 -5.09 105.19 105.74 2kjz n GLY 26 Ca -0.34 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 1.58 0.02 1.61 -7.23 -0.57 -4.99 120.40 108.82 2kjz s VAL 27 Ca 0.00 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 2kjz s VAL 27 Cb 0.00 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 2kjz s VAL 27 CO 0.00 0.00 -0.11 1.51 -0.31 0.00 0.00 175.10 176.19 2kjz s ASP 28 N -3.86 1.34 -0.17 4.85 -4.77 -1.26 -4.37 116.67 108.43 2kjz s ASP 28 Ca 0.21 -0.35 -0.28 0.00 -3.30 0.00 0.00 52.55 48.82 2kjz s ASP 28 Cb 0.04 -0.09 -0.06 0.00 -1.09 0.00 0.00 42.92 41.72 2kjz s ASP 28 CO 0.11 0.04 2.13 -2.84 0.70 0.00 0.00 175.17 175.31 2kjz s PRO 29 N -0.83 3.37 0.29 2.11 0.02 -1.26 -4.73 135.00 133.98 2kjz s PRO 29 Ca 0.01 2.12 -0.00 0.00 0.02 0.00 0.00 61.00 63.15 2kjz s PRO 29 Cb -0.06 -4.31 0.44 0.00 0.02 0.00 0.00 34.50 30.58 2kjz s PRO 29 CO 0.00 -1.83 1.84 -0.24 -0.33 0.00 0.00 177.00 176.45 2kjz h VAL 30 N 6.78 1.22 -3.47 3.83 3.04 -1.31 -3.27 116.25 123.06 2kjz h VAL 30 Ca -0.42 -0.80 -0.70 0.00 -1.01 0.00 0.00 66.70 63.77 2kjz h VAL 30 Cb 1.23 0.72 -0.35 0.00 -2.01 0.00 0.00 31.29 30.88 2kjz h VAL 30 CO 0.96 0.29 -0.29 -1.61 -1.01 0.00 0.00 177.57 175.92 2kjz s GLU 31 N -5.17 2.79 -0.14 4.17 0.41 -0.84 -5.03 118.70 114.89 2kjz s GLU 31 Ca -0.09 -2.79 -0.20 0.00 -0.41 0.00 0.00 54.97 51.48 2kjz s GLU 31 Cb 0.15 -3.80 -0.04 0.00 -1.78 0.00 0.00 34.13 28.67 2kjz s GLU 31 CO 0.79 -1.21 0.56 -1.54 -0.49 0.00 0.00 175.26 173.38 2kjz s SER 32 N 0.36 6.72 0.03 -0.19 1.04 -1.24 -1.57 113.70 118.86 2kjz s SER 32 Ca 0.20 0.87 -0.01 0.00 0.48 0.00 0.00 55.95 57.49 2kjz s SER 32 Cb -0.16 -2.33 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 2kjz s SER 32 CO -0.07 -0.11 -0.01 -0.55 0.98 0.00 0.00 173.24 173.48 2kjz s SER 33 N 0.87 0.28 0.28 7.02 0.15 -0.61 -5.03 113.70 116.66 2kjz s SER 33 Ca 0.29 -0.61 0.01 0.00 0.70 0.00 0.00 55.95 56.34 2kjz s SER 33 Cb -0.16 0.14 0.66 0.00 -1.71 0.00 0.00 66.02 64.95 2kjz s SER 33 CO 0.12 -0.39 1.66 1.55 1.20 0.00 0.00 173.24 177.37 2kjz h PRO 34 N 4.18 0.22 0.00 5.44 0.13 -2.02 -3.03 132.00 136.92 2kjz h PRO 34 Ca -0.32 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kjz h PRO 34 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kjz h PRO 34 CO 0.48 0.15 -0.10 -2.37 -0.23 0.00 0.00 178.00 175.92 2kjz n THR 35 N -5.20 1.00 -3.86 1.56 5.66 -1.26 -4.73 114.28 107.45 2kjz n THR 35 Ca 0.20 -1.15 -0.11 0.00 -3.05 0.00 0.00 64.05 59.94 2kjz n THR 35 Cb 0.63 0.28 -0.09 0.00 -1.55 0.00 0.00 70.33 69.60 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 0.03 -0.00 1.09 5.36 -1.15 -3.12 117.98 118.81 2kjz s PHE 36 Ca 0.12 -0.14 -0.01 0.00 -0.96 0.00 0.00 56.93 55.94 2kjz s PHE 36 Cb 0.11 -0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.75 2kjz s PHE 36 CO 0.01 -0.33 0.01 -1.12 -1.46 0.00 0.00 175.22 172.33 2kjz s SER 37 N -1.58 0.04 -0.04 6.13 0.01 -0.07 -1.57 113.70 116.63 2kjz s SER 37 Ca -0.12 -0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.03 2kjz s SER 37 Cb -0.06 0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.27 2kjz s SER 37 CO 0.00 -0.09 0.05 -0.22 0.41 0.00 0.00 173.24 173.40 2kjz s LEU 38 N -0.39 0.29 -0.04 2.44 0.20 -0.61 -0.98 118.68 119.59 2kjz s LEU 38 Ca -0.04 0.06 0.02 0.00 0.69 0.00 0.00 54.13 54.85 2kjz s LEU 38 Cb -0.03 -0.16 0.02 0.00 -0.43 0.00 0.00 46.19 45.58 2kjz s LEU 38 CO -0.00 -0.23 -0.07 0.72 -0.29 0.00 0.00 176.35 176.48 2kjz s PHE 39 N 2.03 0.89 -0.16 5.38 -0.71 -0.78 -0.72 117.98 123.92 2kjz s PHE 39 Ca 0.03 -0.26 -0.03 0.00 -1.04 0.00 0.00 56.93 55.63 2kjz s PHE 39 Cb -0.12 -0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 40.95 2kjz s PHE 39 CO -0.03 -0.17 -0.04 0.08 -1.34 0.00 0.00 175.22 173.71 2kjz s VAL 40 N 0.65 3.82 0.04 -2.49 1.01 -1.26 -1.69 120.40 120.47 2kjz s VAL 40 Ca -0.10 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 2kjz s VAL 40 Cb -0.13 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 2kjz s VAL 40 CO 0.01 0.49 0.39 -0.76 0.00 0.00 0.00 175.10 175.23 2kjz s LEU 41 N 0.40 4.40 0.00 3.92 1.43 -0.77 -4.97 118.68 123.08 2kjz s LEU 41 Ca -0.04 0.83 0.12 0.00 -1.03 0.00 0.00 54.13 54.01 2kjz s LEU 41 Cb -0.14 -2.78 0.62 0.00 0.03 0.00 0.00 46.19 43.91 2kjz s LEU 41 CO 0.03 0.24 1.30 0.00 0.23 0.00 0.00 176.35 178.16 2kjz n ALA 42 N 1.29 1.73 0.30 4.21 0.00 -1.26 -2.50 120.51 124.28 2kjz n ALA 42 Ca -0.11 -0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.46 2kjz n ALA 42 Cb 0.52 -1.20 0.81 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.26 -2.05 -3.46 115.58 109.81 2kjz h ASN 43 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2kjz h ASN 43 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 2kjz h ASN 43 CO 0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 2kjz n GLY 44 N -0.29 1.23 3.59 2.83 0.00 -1.04 -5.12 105.19 106.39 2kjz n GLY 44 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.25 1.98 -0.01 1.61 0.23 -1.21 -5.02 119.30 116.63 2kjz s MET 45 Ca 0.00 -2.21 -0.00 0.00 -1.03 0.00 0.00 55.69 52.45 2kjz s MET 45 Cb 0.00 -1.03 0.01 0.00 -1.53 0.00 0.00 34.83 32.28 2kjz s MET 45 CO 0.00 -0.36 0.02 0.21 -2.03 0.00 0.00 175.02 172.86 2kjz s LYS 46 N -3.79 0.00 -0.11 3.16 2.20 -0.43 -1.85 119.74 118.93 2kjz s LYS 46 Ca 0.21 0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 55.87 2kjz s LYS 46 Cb 0.04 -0.06 0.03 0.00 -1.51 0.00 0.00 37.83 36.33 2kjz s LYS 46 CO 0.11 -0.04 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.87 2kjz s LEU 47 N 0.27 0.92 0.35 5.43 0.20 -0.68 -1.61 118.68 123.57 2kjz s LEU 47 Ca -0.02 -0.28 0.04 0.00 0.69 0.00 0.00 54.13 54.56 2kjz s LEU 47 Cb -0.03 -0.62 -0.01 0.00 -0.43 0.00 0.00 46.19 45.09 2kjz s LEU 47 CO -0.01 -0.18 0.52 -0.83 -0.29 0.00 0.00 176.35 175.56 2kjz s GLY 48 N 1.85 1.47 -0.24 7.98 0.00 -0.21 -1.86 107.32 116.32 2kjz s GLY 48 Ca 0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 2kjz s GLY 48 CO -0.07 -1.14 0.15 -2.27 0.00 0.00 0.00 173.10 169.77 2kjz s LEU 49 N -4.26 0.30 -0.11 0.66 2.96 -0.15 -1.72 118.68 116.36 2kjz s LEU 49 Ca 0.43 -0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2kjz s LEU 49 Cb -0.10 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.44 2kjz s LEU 49 CO 0.33 -0.39 -0.08 0.86 -1.32 0.00 0.00 176.35 175.76 2kjz s TRP 50 N 2.17 2.92 0.19 5.38 -0.11 -0.41 -0.89 118.94 128.18 2kjz s TRP 50 Ca 0.06 -0.23 -0.30 0.00 1.22 0.00 0.00 56.10 56.86 2kjz s TRP 50 Cb -0.16 -1.81 -0.08 0.00 -1.50 0.00 0.00 33.47 29.93 2kjz s TRP 50 CO -0.23 0.09 1.09 -1.12 -4.62 0.00 0.00 176.95 172.16 2kjz s SER 51 N -0.20 7.30 0.00 5.86 0.01 -1.18 -1.83 113.70 123.65 2kjz s SER 51 Ca 0.02 2.09 0.18 0.00 1.31 0.00 0.00 55.95 59.55 2kjz s SER 51 Cb -0.13 -2.61 0.78 0.00 0.21 0.00 0.00 66.02 64.28 2kjz s SER 51 CO 0.03 -0.19 1.58 -2.11 0.41 0.00 0.00 173.24 172.96 2kjz n ARG 52 N 2.23 0.01 0.00 12.44 1.85 -0.35 -2.03 116.66 130.81 2kjz n ARG 52 Ca 0.02 0.19 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 2kjz n ARG 52 Cb 0.46 -1.50 0.40 0.00 -1.05 0.00 0.00 32.46 30.77 2kjz n ARG 52 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2kjz n HIS 53 N -1.49 0.00 -0.75 2.89 1.44 -1.26 -4.11 115.22 111.94 2kjz n HIS 53 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 2kjz n HIS 53 Cb 0.21 -0.29 0.00 0.00 0.12 0.00 0.00 29.99 30.03 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 -1.34 0.20 -2.18 0.61 5.66 -0.93 -5.09 114.28 111.21 2kjz n THR 54 Ca 0.08 -0.23 -0.39 0.00 -3.05 0.00 0.00 64.05 60.46 2kjz n THR 54 Cb 0.33 1.03 -0.01 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.20 2.90 -0.17 1.08 0.11 -0.86 -4.98 120.40 118.28 2kjz s VAL 55 Ca 0.00 0.78 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 2kjz s VAL 55 Cb 0.00 -3.45 0.03 0.00 -1.53 0.00 0.00 36.38 31.44 2kjz s VAL 55 CO 0.00 0.09 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.14 2kjz s GLU 56 N -2.27 2.02 0.40 1.54 2.02 -1.26 -2.31 118.70 118.84 2kjz s GLU 56 Ca 0.57 -0.64 -0.25 0.00 0.02 0.00 0.00 54.97 54.67 2kjz s GLU 56 Cb -0.34 -2.18 -0.08 0.00 0.10 0.00 0.00 34.13 31.63 2kjz s GLU 56 CO 0.43 -0.34 1.16 -2.14 0.02 0.00 0.00 175.26 174.39 2kjz s PRO 57 N 1.49 4.07 0.18 0.39 0.02 -1.26 -5.10 135.00 134.78 2kjz s PRO 57 Ca 0.02 1.82 -0.32 0.00 0.02 0.00 0.00 61.00 62.54 2kjz s PRO 57 Cb -0.14 -2.68 -0.11 0.00 0.02 0.00 0.00 34.50 31.59 2kjz s PRO 57 CO -0.09 -0.30 1.72 0.21 -0.33 0.00 0.00 177.00 178.21 2kjz s LYS 58 N -2.29 4.15 -0.27 5.54 2.36 -0.98 -5.00 119.74 123.24 2kjz s LYS 58 Ca 0.57 2.55 -0.02 0.00 -2.55 0.00 0.00 55.97 56.52 2kjz s LYS 58 Cb -0.30 -3.22 0.16 0.00 -1.05 0.00 0.00 37.83 33.41 2kjz s LYS 58 CO 0.38 -0.75 0.46 0.00 1.55 0.00 0.00 175.35 176.99 2kjz s ALA 59 N 1.57 -1.52 -0.97 3.13 0.00 -1.26 -5.08 121.76 117.63 2kjz s ALA 59 Ca 0.75 1.18 -0.19 0.00 0.00 0.00 0.00 51.96 53.70 2kjz s ALA 59 Cb -0.47 -1.89 0.12 0.00 0.00 0.00 0.00 23.12 20.88 2kjz s ALA 59 CO 0.33 -1.33 1.21 -1.54 0.00 0.00 0.00 175.76 174.42 2kjz s SER 60 N 2.66 6.64 0.01 0.00 1.04 -1.26 -4.76 113.70 118.03 2kjz s SER 60 Ca 0.15 -2.02 0.03 0.00 0.48 0.00 0.00 55.95 54.59 2kjz s SER 60 Cb -0.15 -2.43 -0.01 0.00 0.10 0.00 0.00 66.02 63.53 2kjz s SER 60 CO -0.19 -1.11 -0.09 -0.69 0.98 0.00 0.00 173.24 172.13 2kjz s VAL 61 N 3.00 0.73 -0.01 5.02 1.01 -1.26 -5.15 120.40 123.74 2kjz s VAL 61 Ca 0.36 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2kjz s VAL 61 Cb -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.70 2kjz s VAL 61 CO -0.09 0.05 -0.00 0.42 0.00 0.00 0.00 175.10 175.49 2kjz s THR 62 N -0.52 0.08 -0.92 3.92 -4.23 -1.26 -4.83 115.64 107.88 2kjz s THR 62 Ca 0.01 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.55 2kjz s THR 62 Cb -0.05 -0.13 -0.01 0.00 1.34 0.00 0.00 72.50 73.65 2kjz s THR 62 CO 0.00 0.07 0.77 0.61 -0.54 0.00 0.00 174.62 175.53 2kjz n GLY 63 N 3.54 -0.28 2.68 3.99 0.00 -0.12 -4.96 105.19 110.05 2kjz n GLY 63 Ca -0.19 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 2kjz n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjz n GLY 64 N -1.13 1.67 0.00 -0.02 0.00 -1.26 -5.00 105.19 99.45 2kjz n GLY 64 Ca -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2kjz n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjz n GLY 65 N -1.07 4.13 3.70 -0.02 0.00 -1.26 -5.17 105.19 105.50 2kjz n GLY 65 Ca -0.11 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.95 1.56 0.27 -0.02 0.00 -1.26 -4.92 107.32 102.00 2kjz s GLY 66 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.33 2kjz s GLY 66 CO 0.00 0.18 0.41 -0.54 0.00 0.00 0.00 173.10 173.15 2kjz s GLU 67 N -5.04 3.45 -0.46 2.90 0.41 -1.26 -4.60 118.70 114.09 2kjz s GLU 67 Ca 0.65 -0.65 -0.09 0.00 -0.41 0.00 0.00 54.97 54.47 2kjz s GLU 67 Cb -0.18 -2.83 0.11 0.00 -1.78 0.00 0.00 34.13 29.45 2kjz s GLU 67 CO 0.57 0.35 0.32 -0.51 -0.49 0.00 0.00 175.26 175.50 2kjz s LEU 68 N -4.07 5.54 -0.61 1.80 1.43 -1.07 -4.92 118.68 116.79 2kjz s LEU 68 Ca 0.36 -1.82 -0.24 0.00 -1.03 0.00 0.00 54.13 51.40 2kjz s LEU 68 Cb -0.09 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.18 2kjz s LEU 68 CO 0.31 -0.65 1.01 0.00 0.23 0.00 0.00 176.35 177.25 2kjz s ALA 69 N 1.37 3.08 -0.56 4.21 0.00 -1.26 -0.70 121.76 127.90 2kjz s ALA 69 Ca 0.05 -1.39 -0.27 0.00 0.00 0.00 0.00 51.96 50.36 2kjz s ALA 69 Cb -0.25 -3.86 0.03 0.00 0.00 0.00 0.00 23.12 19.04 2kjz s ALA 69 CO -0.00 -2.62 1.09 -0.06 0.00 0.00 0.00 175.76 174.17 2kjz s PHE 70 N 4.28 2.69 -0.07 0.00 0.40 -0.04 -4.97 117.98 120.27 2kjz s PHE 70 Ca 0.30 0.26 -0.25 0.00 -0.60 0.00 0.00 56.93 56.64 2kjz s PHE 70 Cb -0.13 -4.34 -0.03 0.00 0.51 0.00 0.00 43.02 39.03 2kjz s PHE 70 CO 0.17 -1.48 0.79 1.03 0.70 0.00 0.00 175.22 176.42 2kjz s ARG 71 N 4.55 4.44 0.12 0.44 0.52 -1.26 -2.60 118.95 125.16 2kjz s ARG 71 Ca 0.38 1.03 0.04 0.00 -0.52 0.00 0.00 55.73 56.66 2kjz s ARG 71 Cb -0.09 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 2kjz s ARG 71 CO 0.23 -0.03 -0.10 0.14 0.02 0.00 0.00 175.30 175.57 2kjz s VAL 72 N 1.08 1.01 0.13 3.52 -7.23 -1.14 -5.01 120.40 112.75 2kjz s VAL 72 Ca 0.41 -1.86 -0.13 0.00 -1.81 0.00 0.00 61.98 58.59 2kjz s VAL 72 Cb -0.18 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 2kjz s VAL 72 CO 0.19 -0.68 1.51 1.05 -0.31 0.00 0.00 175.10 176.86 2kjz h GLU 73 N 3.15 0.80 -3.78 4.82 4.11 -1.93 -3.20 114.58 118.56 2kjz h GLU 73 Ca -0.37 -0.34 -0.14 0.00 0.07 0.00 0.00 59.36 58.58 2kjz h GLU 73 Cb 1.19 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 2kjz h GLU 73 CO 0.59 0.97 -0.11 0.54 0.07 0.00 0.00 179.01 181.07 2kjz s ASN 74 N -6.50 0.32 0.47 3.06 2.20 -1.26 -4.24 114.94 109.00 2kjz s ASN 74 Ca -0.12 -1.19 0.20 0.00 -0.94 0.00 0.00 52.86 50.81 2kjz s ASN 74 Cb 0.10 0.64 1.18 0.00 -2.00 0.00 0.00 41.25 41.18 2kjz s ASN 74 CO 0.83 -1.26 2.01 -2.24 -2.94 0.00 0.00 177.10 173.50 2kjz h ASP 75 N 2.18 0.00 -0.34 3.54 2.03 -1.92 -1.66 116.42 120.24 2kjz h ASP 75 Ca -0.28 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.90 2kjz h ASP 75 Cb 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 2kjz h ASP 75 CO 0.38 0.17 -0.24 0.00 -1.03 0.00 0.00 179.24 178.52 2kjz h ALA 76 N 1.83 0.49 0.00 4.15 0.00 -1.99 -2.98 119.26 120.76 2kjz h ALA 76 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2kjz h ALA 76 Cb 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kjz h ALA 76 CO 0.02 0.48 -0.05 1.96 0.00 0.00 0.00 179.25 181.66 2kjz h GLN 77 N 0.55 0.00 -0.29 0.00 1.08 -1.73 -0.35 115.11 114.37 2kjz h GLN 77 Ca 0.07 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.15 2kjz h GLN 77 Cb 0.81 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 2kjz h GLN 77 CO 0.07 0.05 -0.26 0.28 -0.95 0.00 0.00 178.83 178.02 2kjz h VAL 78 N 0.00 1.30 -0.03 -0.54 2.07 -1.47 -2.71 116.25 114.87 2kjz h VAL 78 Ca -0.00 -1.41 -0.12 0.00 0.82 0.00 0.00 66.70 65.99 2kjz h VAL 78 Cb 0.18 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2kjz h VAL 78 CO 0.01 0.45 -0.53 -0.78 0.02 0.00 0.00 177.57 176.73 2kjz h ASP 79 N 0.43 0.08 -0.23 0.57 3.58 -1.00 0.21 116.42 120.06 2kjz h ASP 79 Ca 0.05 -0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.34 2kjz h ASP 79 Cb 0.82 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 2kjz h ASP 79 CO 0.07 0.60 -0.33 -0.33 -2.88 0.00 0.00 179.24 176.36 2kjz h GLU 80 N 0.05 0.63 -0.01 0.28 5.08 -1.19 -1.89 114.58 117.53 2kjz h GLU 80 Ca -0.00 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 2kjz h GLU 80 Cb 0.96 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2kjz h GLU 80 CO 0.07 0.98 -0.42 1.15 -1.00 0.00 0.00 179.01 179.80 2kjz h THR 81 N 0.33 1.30 0.83 1.13 2.02 -1.30 -1.51 112.91 115.71 2kjz h THR 81 Ca 0.02 -1.44 -0.04 0.00 0.77 0.00 0.00 66.41 65.72 2kjz h THR 81 Cb 0.92 1.77 0.01 0.00 -1.74 0.00 0.00 68.15 69.10 2kjz h THR 81 CO 0.08 0.41 -0.40 0.15 0.37 0.00 0.00 175.52 176.14 2kjz h PHE 82 N 0.02 -1.03 -0.72 3.16 3.04 -0.44 -2.30 116.94 118.67 2kjz h PHE 82 Ca -0.00 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 2kjz h PHE 82 Cb 0.75 0.34 -0.03 0.00 2.56 0.00 0.00 35.95 39.56 2kjz h PHE 82 CO 0.00 -0.64 0.33 0.00 -2.02 0.00 0.00 178.31 175.98 2kjz h ALA 83 N -1.39 1.22 -0.36 2.41 0.00 -1.36 -1.26 119.26 118.52 2kjz h ALA 83 Ca -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2kjz h ALA 83 Cb 0.85 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2kjz h ALA 83 CO 0.19 0.59 0.11 0.78 0.00 0.00 0.00 179.25 180.91 2kjz h GLY 84 N 1.09 0.61 0.91 0.00 0.00 -1.32 -0.98 103.07 103.38 2kjz h GLY 84 Ca 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2kjz h GLY 84 CO -0.03 0.34 0.10 1.49 0.00 0.00 0.00 176.54 178.44 2kjz h TRP 85 N 0.43 0.54 -0.54 5.60 4.06 -1.13 -1.49 115.95 123.42 2kjz h TRP 85 Ca 0.12 -0.06 0.07 0.00 2.06 0.00 0.00 58.89 61.08 2kjz h TRP 85 Cb 0.27 -0.16 -0.06 0.00 -1.00 0.00 0.00 29.16 28.21 2kjz h TRP 85 CO 0.01 0.55 0.22 -0.22 -3.56 0.00 0.00 178.44 175.44 2kjz h LYS 86 N 0.38 0.41 0.00 0.49 3.64 -1.15 -1.28 116.57 119.07 2kjz h LYS 86 Ca 0.11 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2kjz h LYS 86 Cb 0.26 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2kjz h LYS 86 CO -0.00 0.27 -0.29 0.00 -2.27 0.00 0.00 179.45 177.16 2kjz h ALA 87 N 1.35 1.09 -0.66 5.00 0.00 -1.07 -2.87 119.26 122.09 2kjz h ALA 87 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kjz h ALA 87 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kjz h ALA 87 CO -0.24 0.36 0.00 0.43 0.00 0.00 0.00 179.25 179.80 2kjz n SER 88 N -3.56 4.69 -1.27 0.00 7.64 -0.57 -4.98 113.62 115.58 2kjz n SER 88 Ca -0.01 -2.41 -0.00 0.00 1.01 0.00 0.00 58.87 57.46 2kjz n SER 88 Cb 0.43 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 1.19 0.69 3.80 0.23 0.00 -0.57 -5.01 105.19 105.53 2kjz n GLY 89 Ca 0.26 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2kjz n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjz s VAL 90 N -3.00 4.72 0.02 1.61 0.11 -0.93 -4.66 120.40 118.26 2kjz s VAL 90 Ca 0.00 -0.61 -0.25 0.00 -2.93 0.00 0.00 61.98 58.19 2kjz s VAL 90 Cb -0.00 -3.25 -0.18 0.00 -1.53 0.00 0.00 36.38 31.43 2kjz s VAL 90 CO 0.00 0.19 1.39 0.00 -3.33 0.00 0.00 175.10 173.35 2kjz h ALA 91 N 3.48 -0.16 -4.82 1.54 0.00 -1.34 -3.44 119.26 114.52 2kjz h ALA 91 Ca -0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2kjz h ALA 91 Cb 1.17 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kjz h ALA 91 CO 0.66 -0.44 -0.60 -0.12 0.00 0.00 0.00 179.25 178.76 2kjz n MET 92 N -5.02 -2.40 -3.87 0.00 0.00 -1.16 -4.86 117.12 99.81 2kjz n MET 92 Ca -0.09 2.10 -0.29 0.00 0.00 0.00 0.00 57.70 59.42 2kjz n MET 92 Cb 0.20 -4.80 -0.13 0.00 0.00 0.00 0.00 33.22 28.49 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 -1.87 4.05 0.00 -0.89 -0.00 -1.26 -4.88 118.68 113.83 2kjz s LEU 93 Ca 0.11 -3.19 0.00 0.00 -0.00 0.00 0.00 54.13 51.05 2kjz s LEU 93 Cb -0.03 -1.48 0.00 0.00 -0.00 0.00 0.00 46.19 44.68 2kjz s LEU 93 CO 0.64 -0.19 0.00 1.67 -0.00 0.00 0.00 176.35 178.47 2kjz n GLN 94 N 2.84 0.00 -2.61 1.48 -0.06 -1.25 -4.89 117.38 112.89 2kjz n GLN 94 Ca 0.11 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.68 2kjz n GLN 94 Cb 0.34 0.00 -0.02 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 0.00 3.98 -0.49 3.69 -0.21 -1.26 -4.67 119.66 120.70 2kjz s GLN 95 Ca 0.00 0.99 -0.35 0.00 0.02 0.00 0.00 55.36 56.02 2kjz s GLN 95 Cb 0.00 -3.79 -0.14 0.00 1.00 0.00 0.00 33.01 30.09 2kjz s GLN 95 CO 0.00 -1.03 2.29 -2.30 -2.12 0.00 0.00 175.29 172.13 2kjz n PRO 96 N 7.12 0.74 -4.57 2.91 -0.02 -1.26 -4.93 135.00 134.99 2kjz n PRO 96 Ca 0.12 0.16 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 2kjz n PRO 96 Cb 0.47 -2.28 -0.12 0.00 -0.02 0.00 0.00 33.50 31.56 2kjz n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kjz s ALA 97 N 7.96 2.72 -0.33 3.55 0.00 -0.55 -4.91 121.76 130.19 2kjz s ALA 97 Ca 1.14 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 2kjz s ALA 97 Cb -0.94 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2kjz s ALA 97 CO 0.49 0.59 1.50 0.21 0.00 0.00 0.00 175.76 178.55 2kjz s LYS 98 N -1.52 3.66 0.29 0.00 2.36 -1.26 -1.25 119.74 122.01 2kjz s LYS 98 Ca 0.16 1.26 0.06 0.00 -2.55 0.00 0.00 55.97 54.90 2kjz s LYS 98 Cb -0.11 -4.03 -0.02 0.00 -1.05 0.00 0.00 37.83 32.63 2kjz s LYS 98 CO 0.07 -1.46 0.40 1.41 1.55 0.00 0.00 175.35 177.32 2kjz s MET 99 N 4.84 3.24 0.62 4.03 -2.45 -0.61 -4.94 119.30 124.03 2kjz s MET 99 Ca 0.66 -0.91 0.36 0.00 -1.25 0.00 0.00 55.69 54.55 2kjz s MET 99 Cb -0.18 -2.83 2.06 0.00 1.25 0.00 0.00 34.83 35.12 2kjz s MET 99 CO 0.30 0.25 2.29 0.93 1.05 0.00 0.00 175.02 179.83 2kjz h GLU 100 N 1.06 0.00 -3.45 4.11 5.08 -2.03 -3.29 114.58 116.05 2kjz h GLU 100 Ca -0.49 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.23 2kjz h GLU 100 Cb 1.24 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.08 2kjz h GLU 100 CO 0.57 0.00 -0.64 -0.06 -1.00 0.00 0.00 179.01 177.88 2kjz s PHE 101 N -4.43 3.13 0.26 4.33 0.08 -1.26 -5.06 117.98 115.04 2kjz s PHE 101 Ca -0.05 -3.11 0.00 0.00 0.12 0.00 0.00 56.93 53.89 2kjz s PHE 101 Cb 0.14 -2.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 2kjz s PHE 101 CO 0.49 -0.76 0.00 0.41 -0.10 0.00 0.00 175.22 175.26 2kjz n GLY 102 N 3.22 -3.28 3.56 4.36 0.00 -1.24 -4.69 105.19 107.12 2kjz n GLY 102 Ca 0.05 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.41 1.83 0.11 1.61 5.04 -0.36 -1.58 117.35 119.59 2kjz s TYR 103 Ca 0.00 0.61 0.05 0.00 -2.44 0.00 0.00 57.07 55.30 2kjz s TYR 103 Cb 0.00 -4.21 -0.04 0.00 0.35 0.00 0.00 41.96 38.06 2kjz s TYR 103 CO 0.00 -2.28 0.00 -0.08 -1.34 0.00 0.00 175.55 171.86 2kjz s THR 104 N 8.13 3.95 0.01 4.34 -1.32 -0.38 -1.11 115.64 129.25 2kjz s THR 104 Ca 0.61 -1.10 -0.03 0.00 -1.21 0.00 0.00 61.69 59.96 2kjz s THR 104 Cb -0.12 -2.91 -0.01 0.00 -1.51 0.00 0.00 72.50 67.95 2kjz s THR 104 CO 0.21 0.06 0.03 0.12 -2.21 0.00 0.00 174.62 172.83 2kjz s PHE 105 N -1.42 0.17 -0.04 9.09 5.36 0.60 -1.49 117.98 130.26 2kjz s PHE 105 Ca 0.26 -0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 55.85 2kjz s PHE 105 Cb -0.11 -0.13 0.03 0.00 -0.34 0.00 0.00 43.02 42.47 2kjz s PHE 105 CO 0.18 -0.22 0.07 0.99 -1.46 0.00 0.00 175.22 174.79 2kjz s THR 106 N -1.40 -0.07 0.18 0.12 2.01 -1.26 -0.86 115.64 114.35 2kjz s THR 106 Ca -0.15 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.14 2kjz s THR 106 Cb -0.09 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 2kjz s THR 106 CO -0.00 0.10 0.14 0.00 -0.69 0.00 0.00 174.62 174.17 2kjz s ALA 107 N 1.30 3.55 -0.19 7.40 0.00 -0.05 -3.90 121.76 129.88 2kjz s ALA 107 Ca -0.07 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 2kjz s ALA 107 Cb -0.12 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 2kjz s ALA 107 CO -0.04 0.45 0.01 0.00 0.00 0.00 0.00 175.76 176.18 2kjz s ALA 108 N -1.83 3.09 0.83 0.00 0.00 -1.26 -2.50 121.76 120.08 2kjz s ALA 108 Ca 0.31 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 2kjz s ALA 108 Cb -0.10 -1.77 0.08 0.00 0.00 0.00 0.00 23.12 21.33 2kjz s ALA 108 CO 0.23 -0.04 1.07 -0.25 0.00 0.00 0.00 175.76 176.78 2kjz n ASP 109 N 4.03 0.50 0.31 0.00 9.92 -1.26 -1.04 116.55 129.02 2kjz n ASP 109 Ca -0.17 0.55 0.19 0.00 -0.53 0.00 0.00 54.79 54.83 2kjz n ASP 109 Cb 0.52 -1.46 1.04 0.00 -0.64 0.00 0.00 41.12 40.58 2kjz n ASP 109 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 2kjz h PRO 110 N -1.03 0.00 0.00 -0.24 0.11 -1.95 -0.85 132.00 128.04 2kjz h PRO 110 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2kjz h PRO 110 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2kjz h PRO 110 CO 0.44 0.01 -1.27 -3.47 -0.21 0.00 0.00 178.00 173.50 2kjz n ASP 111 N -3.34 0.66 -1.95 -2.05 2.03 -1.26 -5.06 116.55 105.58 2kjz n ASP 111 Ca -0.03 0.26 -0.00 0.00 0.52 0.00 0.00 54.79 55.54 2kjz n ASP 111 Cb 0.12 0.75 -0.00 0.00 -0.72 0.00 0.00 41.12 41.27 2kjz n ASP 111 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kjz n SER 112 N -2.61 -4.13 0.00 1.67 7.64 -0.33 -4.74 113.62 111.12 2kjz n SER 112 Ca -0.02 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2kjz n SER 112 Cb 0.59 -2.61 0.00 0.00 -1.01 0.00 0.00 64.21 61.18 2kjz n SER 112 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kjz n HIS 113 N 0.28 0.00 0.00 1.43 -0.00 -1.26 -0.94 115.22 114.72 2kjz n HIS 113 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2kjz n HIS 113 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 2kjz n HIS 113 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2kjz n ARG 114 N 0.00 0.00 -3.92 -0.41 3.00 -1.26 -3.94 116.66 110.12 2kjz n ARG 114 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 2kjz n ARG 114 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.30 2kjz n ARG 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kjz s LEU 115 N 0.00 2.39 0.10 6.15 1.43 -1.04 -2.60 118.68 125.11 2kjz s LEU 115 Ca 0.00 -1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 51.92 2kjz s LEU 115 Cb 0.00 -1.12 -0.06 0.00 0.03 0.00 0.00 46.19 45.05 2kjz s LEU 115 CO 0.00 -0.24 0.37 -0.60 0.23 0.00 0.00 176.35 176.11 2kjz s ARG 116 N 1.45 3.66 -0.06 1.70 3.52 0.13 -0.87 118.95 128.48 2kjz s ARG 116 Ca -0.05 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 2kjz s ARG 116 Cb -0.18 -2.93 0.02 0.00 -1.56 0.00 0.00 34.95 30.30 2kjz s ARG 116 CO -0.06 0.52 -0.04 0.08 -0.81 0.00 0.00 175.30 174.99 2kjz s VAL 117 N -1.52 0.56 0.09 7.11 1.01 -0.04 -0.86 120.40 126.74 2kjz s VAL 117 Ca 0.36 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.32 2kjz s VAL 117 Cb -0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2kjz s VAL 117 CO 0.21 0.26 -0.14 -0.72 0.00 0.00 0.00 175.10 174.71 2kjz s TYR 118 N 1.32 1.24 -0.29 5.22 1.13 -1.07 -0.29 117.35 124.62 2kjz s TYR 118 Ca -0.04 -0.51 -0.09 0.00 -1.41 0.00 0.00 57.07 55.01 2kjz s TYR 118 Cb -0.14 -0.68 -0.02 0.00 -1.10 0.00 0.00 41.96 40.02 2kjz s TYR 118 CO -0.02 0.07 0.14 0.00 -2.51 0.00 0.00 175.55 173.23 2kjz s ALA 119 N -1.62 3.30 -0.40 9.51 0.00 -0.26 -2.88 121.76 129.40 2kjz s ALA 119 Ca 0.02 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.42 2kjz s ALA 119 Cb -0.08 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.73 2kjz s ALA 119 CO 0.02 -0.73 1.25 0.12 0.00 0.00 0.00 175.76 176.42 2kjz s PHE 120 N 1.65 2.71 -0.77 0.00 5.36 -1.21 -1.23 117.98 124.49 2kjz s PHE 120 Ca 0.06 0.80 -0.25 0.00 -0.96 0.00 0.00 56.93 56.57 2kjz s PHE 120 Cb -0.16 -4.19 -0.03 0.00 -0.34 0.00 0.00 43.02 38.30 2kjz s PHE 120 CO 0.07 -1.51 1.86 0.00 -1.46 0.00 0.00 175.22 174.18 2kjz s ALA 121 N 4.62 1.98 -2.09 11.12 0.00 -1.26 -4.77 121.76 131.37 2kjz s ALA 121 Ca 0.53 -1.16 0.17 0.00 0.00 0.00 0.00 51.96 51.50 2kjz s ALA 121 Cb -0.12 -4.43 0.13 0.00 0.00 0.00 0.00 23.12 18.70 2kjz s ALA 121 CO 0.28 -4.30 1.03 0.41 0.00 0.00 0.00 175.76 173.18