#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 0.60 -0.31 3.17 2.01 -1.26 -5.14 115.64 114.71 2kjz s THR 2 Ca 0.00 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2kjz s THR 2 Cb 0.00 -0.56 0.09 0.00 0.01 0.00 0.00 72.50 72.05 2kjz s THR 2 CO 0.00 0.20 0.06 -1.00 -0.69 0.00 0.00 174.62 173.19 2kjz s HIS 3 N 0.32 2.64 -0.64 4.92 0.09 -1.26 -5.08 115.29 116.28 2kjz s HIS 3 Ca -0.04 -2.26 -0.27 0.00 -0.00 0.00 0.00 55.06 52.49 2kjz s HIS 3 Cb -0.09 -2.20 0.00 0.00 -0.00 0.00 0.00 32.58 30.30 2kjz s HIS 3 CO 0.00 -0.89 1.59 -1.25 -0.00 0.00 0.00 174.74 174.19 2kjz s PRO 4 N 1.29 2.95 0.00 8.40 0.04 -1.26 -4.77 135.00 141.65 2kjz s PRO 4 Ca 0.08 0.33 0.08 0.00 0.04 0.00 0.00 61.00 61.53 2kjz s PRO 4 Cb -0.18 -4.27 0.09 0.00 0.04 0.00 0.00 34.50 30.18 2kjz s PRO 4 CO -0.16 -2.38 0.82 -3.47 0.04 0.00 0.00 177.00 171.85 2kjz n ASP 5 N 11.04 1.83 -3.93 6.66 2.03 -1.26 -4.96 116.55 127.95 2kjz n ASP 5 Ca 0.13 -1.44 -0.30 0.00 0.52 0.00 0.00 54.79 53.70 2kjz n ASP 5 Cb 0.50 -0.03 -0.16 0.00 -0.72 0.00 0.00 41.12 40.72 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 -0.71 2.15 -0.11 -0.67 5.36 -1.26 -2.22 117.98 120.53 2kjz s PHE 6 Ca 0.10 -1.48 -0.02 0.00 -0.96 0.00 0.00 56.93 54.57 2kjz s PHE 6 Cb 0.07 -1.50 -0.03 0.00 -0.34 0.00 0.00 43.02 41.22 2kjz s PHE 6 CO 0.10 -0.72 -0.01 -0.08 -1.46 0.00 0.00 175.22 173.05 2kjz s THR 7 N 1.48 4.16 -0.06 0.12 -1.32 -0.76 -4.99 115.64 114.26 2kjz s THR 7 Ca -0.02 -0.29 0.06 0.00 -1.21 0.00 0.00 61.69 60.22 2kjz s THR 7 Cb -0.17 -2.77 -0.01 0.00 -1.51 0.00 0.00 72.50 68.04 2kjz s THR 7 CO -0.07 0.57 -0.25 -0.63 -2.21 0.00 0.00 174.62 172.03 2kjz s ILE 8 N -0.50 2.06 -0.03 5.08 1.01 -1.26 -0.89 121.20 126.67 2kjz s ILE 8 Ca 0.08 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2kjz s ILE 8 Cb -0.12 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 2kjz s ILE 8 CO 0.02 0.57 -0.03 -0.76 0.00 0.00 0.00 174.94 174.74 2kjz s LEU 9 N -0.14 3.37 -0.24 2.97 2.01 -1.02 -4.94 118.68 120.70 2kjz s LEU 9 Ca -0.04 -0.02 -0.13 0.00 0.01 0.00 0.00 54.13 53.94 2kjz s LEU 9 Cb -0.14 -1.87 -0.04 0.00 0.01 0.00 0.00 46.19 44.15 2kjz s LEU 9 CO 0.04 0.31 0.29 -0.72 1.01 0.00 0.00 176.35 177.29 2kjz s TYR 10 N -0.98 3.31 0.22 0.29 1.13 -1.26 -1.61 117.35 118.46 2kjz s TYR 10 Ca 0.16 0.40 0.06 0.00 -1.41 0.00 0.00 57.07 56.28 2kjz s TYR 10 Cb -0.11 -2.44 -0.05 0.00 -1.10 0.00 0.00 41.96 38.26 2kjz s TYR 10 CO 0.07 -0.05 -0.09 0.14 -2.51 0.00 0.00 175.55 173.11 2kjz s VAL 11 N 1.43 1.51 -0.44 -3.49 -7.23 -0.56 -4.87 120.40 106.75 2kjz s VAL 11 Ca 0.13 -2.14 0.05 0.00 -1.81 0.00 0.00 61.98 58.21 2kjz s VAL 11 Cb -0.15 -2.16 0.43 0.00 0.56 0.00 0.00 36.38 35.06 2kjz s VAL 11 CO 0.07 -0.50 1.28 -0.90 -0.31 0.00 0.00 175.10 174.75 2kjz n ASP 12 N -0.41 5.24 0.00 4.85 5.75 -1.26 -1.22 116.55 129.51 2kjz n ASP 12 Ca -0.07 -3.75 0.00 0.00 -0.01 0.00 0.00 54.79 50.96 2kjz n ASP 12 Cb 0.62 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 2kjz n ASP 12 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kjz n ASN 13 N -0.60 0.00 0.33 -1.12 5.15 -1.26 -5.07 115.26 112.69 2kjz n ASN 13 Ca 0.44 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 54.28 2kjz n ASN 13 Cb 0.73 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.91 2kjz n ASN 13 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2kjz h PRO 14 N 0.00 -0.85 0.96 1.20 0.11 -1.89 -2.85 132.00 128.68 2kjz h PRO 14 Ca 0.00 0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 2kjz h PRO 14 Cb 0.00 0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.31 2kjz h PRO 14 CO 0.00 -0.56 -0.46 -1.35 -0.21 0.00 0.00 178.00 175.42 2kjz h PRO 15 N -0.88 -1.24 -0.48 1.05 0.11 -1.95 -2.90 132.00 125.71 2kjz h PRO 15 Ca -0.08 0.08 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 2kjz h PRO 15 Cb 0.69 0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2kjz h PRO 15 CO 0.10 -0.83 -0.18 0.00 -0.21 0.00 0.00 178.00 176.88 2kjz h ALA 16 N -1.39 0.77 0.00 -0.75 0.00 -2.01 -1.80 119.26 114.08 2kjz h ALA 16 Ca -0.13 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 2kjz h ALA 16 Cb 0.99 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2kjz h ALA 16 CO 0.22 0.66 -0.72 1.03 0.00 0.00 0.00 179.25 180.44 2kjz h SER 17 N 0.82 0.00 0.23 0.00 0.87 -1.63 -2.24 113.55 111.61 2kjz h SER 17 Ca 0.12 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.52 2kjz h SER 17 Cb 0.74 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 2kjz h SER 17 CO 0.06 0.72 -0.59 0.74 -0.53 0.00 0.00 176.83 177.23 2kjz h THR 18 N 0.00 1.36 -0.52 2.23 2.02 -1.25 -1.33 112.91 115.42 2kjz h THR 18 Ca -0.01 -1.92 -0.06 0.00 0.77 0.00 0.00 66.41 65.19 2kjz h THR 18 Cb 1.40 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 69.71 2kjz h THR 18 CO 0.09 0.58 0.08 1.56 0.37 0.00 0.00 175.52 178.20 2kjz h GLN 19 N 0.28 0.83 -0.43 6.66 1.08 -1.28 -0.94 115.11 121.31 2kjz h GLN 19 Ca -0.00 -0.19 -0.07 0.00 -1.45 0.00 0.00 58.65 56.94 2kjz h GLN 19 Cb 1.12 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.42 2kjz h GLN 19 CO 0.10 0.78 0.00 0.35 -0.95 0.00 0.00 178.83 179.11 2kjz h PHE 20 N 0.79 0.82 -0.06 2.96 3.57 -1.05 -2.57 116.94 121.40 2kjz h PHE 20 Ca 0.16 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 2kjz h PHE 20 Cb 0.37 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2kjz h PHE 20 CO 0.02 0.81 -0.41 1.88 -2.23 0.00 0.00 178.31 178.39 2kjz h TYR 21 N 0.59 0.14 -0.47 0.41 -1.99 -1.09 -1.17 116.97 113.39 2kjz h TYR 21 Ca 0.12 -0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.86 2kjz h TYR 21 Cb 0.48 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.14 2kjz h TYR 21 CO 0.04 0.51 0.23 0.87 -0.00 0.00 0.00 178.16 179.81 2kjz h LYS 22 N 0.10 0.44 0.04 4.88 1.57 -0.77 -1.13 116.57 121.70 2kjz h LYS 22 Ca 0.01 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.52 2kjz h LYS 22 Cb 0.76 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2kjz h LYS 22 CO 0.06 0.29 -1.03 0.00 -0.57 0.00 0.00 179.45 178.20 2kjz h ALA 23 N 1.26 0.29 -0.81 3.86 0.00 -1.44 -0.66 119.26 121.76 2kjz h ALA 23 Ca 0.21 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kjz h ALA 23 Cb 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2kjz h ALA 23 CO -0.15 0.86 0.49 1.25 0.00 0.00 0.00 179.25 181.70 2kjz h LEU 24 N 0.18 0.97 0.05 0.00 5.85 -0.90 -3.24 115.31 118.22 2kjz h LEU 24 Ca -0.09 -0.07 -0.33 0.00 0.84 0.00 0.00 57.88 58.23 2kjz h LEU 24 Cb 1.69 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 2kjz h LEU 24 CO 0.17 0.75 -1.84 0.18 -0.34 0.00 0.00 178.44 177.36 2kjz n LEU 25 N -4.46 2.29 0.00 2.25 4.77 -0.46 -5.03 117.00 116.37 2kjz n LEU 25 Ca 0.08 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2kjz n LEU 25 Cb 0.06 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2kjz n LEU 25 CO 0.37 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 2kjz n GLY 26 N 1.71 1.84 3.18 -0.72 0.00 -0.37 -5.11 105.19 105.72 2kjz n GLY 26 Ca -0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.03 0.00 -4.31 1.61 0.24 -0.51 -5.01 118.33 109.31 2kjz n VAL 27 Ca 0.00 -2.24 -0.20 0.00 -2.04 0.00 0.00 64.34 59.86 2kjz n VAL 27 Cb 0.00 0.78 -0.11 0.00 -1.47 0.00 0.00 33.84 33.04 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 -3.38 2.50 0.05 -1.34 1.47 -1.26 -4.45 116.67 110.25 2kjz s ASP 28 Ca 0.18 -0.88 -0.31 0.00 1.18 0.00 0.00 52.55 52.72 2kjz s ASP 28 Cb 0.01 -0.13 -0.07 0.00 -0.34 0.00 0.00 42.92 42.38 2kjz s ASP 28 CO 0.13 -0.09 1.55 -2.16 0.68 0.00 0.00 175.17 175.28 2kjz s PRO 29 N -2.95 4.23 0.20 2.11 0.04 -1.26 -4.73 135.00 132.65 2kjz s PRO 29 Ca 0.16 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 2kjz s PRO 29 Cb -0.04 -3.55 0.16 0.00 0.04 0.00 0.00 34.50 31.10 2kjz s PRO 29 CO 0.06 -0.66 1.54 -0.24 0.04 0.00 0.00 177.00 177.73 2kjz h VAL 30 N 4.78 1.32 -4.22 -0.36 3.04 -1.23 -3.44 116.25 116.13 2kjz h VAL 30 Ca -0.41 -1.74 -0.55 0.00 -1.01 0.00 0.00 66.70 62.99 2kjz h VAL 30 Cb 1.19 1.72 -0.30 0.00 -2.01 0.00 0.00 31.29 31.90 2kjz h VAL 30 CO 0.92 0.54 -0.84 -1.61 -1.01 0.00 0.00 177.57 175.57 2kjz s GLU 31 N -4.05 1.52 -0.04 4.17 0.41 -0.72 -5.05 118.70 114.94 2kjz s GLU 31 Ca -0.07 -0.63 -0.02 0.00 -0.41 0.00 0.00 54.97 53.84 2kjz s GLU 31 Cb 0.12 -1.43 0.02 0.00 -1.78 0.00 0.00 34.13 31.06 2kjz s GLU 31 CO 0.83 0.35 0.09 -1.54 -0.49 0.00 0.00 175.26 174.50 2kjz s SER 32 N -0.30 -0.06 0.07 -0.19 1.04 -1.26 -1.18 113.70 111.82 2kjz s SER 32 Ca 0.04 0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.65 2kjz s SER 32 Cb -0.08 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2kjz s SER 32 CO -0.00 -0.08 -0.05 -0.44 0.98 0.00 0.00 173.24 173.65 2kjz s SER 33 N 0.55 0.84 0.30 7.02 0.01 -0.04 -5.01 113.70 117.37 2kjz s SER 33 Ca -0.04 -0.89 0.06 0.00 1.31 0.00 0.00 55.95 56.39 2kjz s SER 33 Cb -0.06 0.12 0.78 0.00 0.21 0.00 0.00 66.02 67.07 2kjz s SER 33 CO -0.02 -0.45 1.72 1.55 0.41 0.00 0.00 173.24 176.45 2kjz h PRO 34 N 3.39 0.51 0.00 12.44 0.13 -2.02 -3.02 132.00 143.43 2kjz h PRO 34 Ca -0.35 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 2kjz h PRO 34 Cb 1.17 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2kjz h PRO 34 CO 0.59 0.34 -0.30 -2.37 -0.23 0.00 0.00 178.00 176.03 2kjz n THR 35 N -4.94 1.18 -3.75 1.56 5.66 -1.26 -4.81 114.28 107.92 2kjz n THR 35 Ca 0.24 -1.56 -0.12 0.00 -3.05 0.00 0.00 64.05 59.55 2kjz n THR 35 Cb 0.67 0.09 -0.08 0.00 -1.55 0.00 0.00 70.33 69.46 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 -1.78 -0.14 0.06 1.09 5.36 -1.14 -3.13 117.98 118.29 2kjz s PHE 36 Ca 0.23 0.10 -0.06 0.00 -0.96 0.00 0.00 56.93 56.24 2kjz s PHE 36 Cb 0.21 0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.98 2kjz s PHE 36 CO -0.01 -0.46 0.12 -1.12 -1.46 0.00 0.00 175.22 172.29 2kjz s SER 37 N -1.77 0.19 -0.19 6.13 0.01 -0.25 -0.86 113.70 116.96 2kjz s SER 37 Ca -0.08 -0.62 -0.08 0.00 1.31 0.00 0.00 55.95 56.47 2kjz s SER 37 Cb -0.03 0.26 0.07 0.00 0.21 0.00 0.00 66.02 66.54 2kjz s SER 37 CO -0.00 -0.60 0.42 -0.22 0.41 0.00 0.00 173.24 173.25 2kjz s LEU 38 N -2.47 -0.38 -0.15 2.44 2.96 -0.32 -1.15 118.68 119.61 2kjz s LEU 38 Ca -0.00 0.95 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 2kjz s LEU 38 Cb 0.02 1.37 0.04 0.00 0.50 0.00 0.00 46.19 48.13 2kjz s LEU 38 CO -0.07 -0.21 -0.00 0.72 -1.32 0.00 0.00 176.35 175.46 2kjz s PHE 39 N 1.99 1.09 -0.09 5.38 -0.12 -0.55 -0.62 117.98 125.06 2kjz s PHE 39 Ca -0.06 -0.69 -0.16 0.00 -0.05 0.00 0.00 56.93 55.97 2kjz s PHE 39 Cb -0.10 -1.03 -0.05 0.00 -0.63 0.00 0.00 43.02 41.21 2kjz s PHE 39 CO -0.13 -0.52 0.41 0.54 -0.05 0.00 0.00 175.22 175.48 2kjz s VAL 40 N 1.84 5.17 0.24 -2.49 0.11 -1.26 -2.19 120.40 121.81 2kjz s VAL 40 Ca 0.02 0.83 -0.10 0.00 -2.93 0.00 0.00 61.98 59.79 2kjz s VAL 40 Cb -0.15 -3.74 -0.07 0.00 -1.53 0.00 0.00 36.38 30.88 2kjz s VAL 40 CO -0.07 0.42 0.58 -0.76 -3.33 0.00 0.00 175.10 171.93 2kjz s LEU 41 N 0.08 4.15 0.00 2.54 1.02 -0.57 -4.94 118.68 120.96 2kjz s LEU 41 Ca 0.23 0.97 0.19 0.00 0.02 0.00 0.00 54.13 55.54 2kjz s LEU 41 Cb -0.15 -3.74 0.88 0.00 0.02 0.00 0.00 46.19 43.20 2kjz s LEU 41 CO 0.10 -0.09 1.58 0.00 0.02 0.00 0.00 176.35 177.96 2kjz n ALA 42 N -0.17 1.94 0.46 4.21 0.00 -1.26 -1.73 120.51 123.96 2kjz n ALA 42 Ca 0.01 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2kjz n ALA 42 Cb 0.52 -1.30 0.47 0.00 0.00 0.00 0.00 19.45 19.14 2kjz n ALA 42 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kjz h ASN 43 N 0.00 0.00 0.00 0.00 -1.24 -2.05 -3.47 115.58 108.83 2kjz h ASN 43 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kjz h ASN 43 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 2kjz h ASN 43 CO 0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 2kjz n GLY 44 N 0.46 1.10 3.93 1.57 0.00 -0.70 -5.10 105.19 106.45 2kjz n GLY 44 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.58 2.26 -0.02 1.61 0.23 -1.26 -4.92 119.30 116.63 2kjz s MET 45 Ca 0.00 -0.30 0.03 0.00 -1.03 0.00 0.00 55.69 54.39 2kjz s MET 45 Cb 0.00 -2.21 -0.00 0.00 -1.53 0.00 0.00 34.83 31.09 2kjz s MET 45 CO 0.00 -1.16 -0.10 0.21 -2.03 0.00 0.00 175.02 171.94 2kjz s LYS 46 N -5.18 0.94 -0.03 3.16 2.20 -0.94 -1.51 119.74 118.37 2kjz s LYS 46 Ca 0.60 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2kjz s LYS 46 Cb -0.11 -0.89 0.02 0.00 -1.51 0.00 0.00 37.83 35.34 2kjz s LYS 46 CO 0.44 0.19 -0.02 -1.17 -0.36 0.00 0.00 175.35 174.42 2kjz s LEU 47 N -0.08 1.31 0.35 5.43 0.20 -0.93 -1.84 118.68 123.13 2kjz s LEU 47 Ca 0.01 -0.08 0.08 0.00 0.69 0.00 0.00 54.13 54.83 2kjz s LEU 47 Cb -0.06 -0.33 -0.03 0.00 -0.43 0.00 0.00 46.19 45.34 2kjz s LEU 47 CO 0.00 -0.07 0.27 -0.83 -0.29 0.00 0.00 176.35 175.44 2kjz s GLY 48 N 0.87 1.90 -0.22 7.98 0.00 -0.07 -1.48 107.32 116.30 2kjz s GLY 48 Ca -0.10 -1.75 -0.03 0.00 0.00 0.00 0.00 44.72 42.83 2kjz s GLY 48 CO -0.01 -1.65 0.07 1.08 0.00 0.00 0.00 173.10 172.60 2kjz s LEU 49 N -3.99 1.01 -0.16 0.66 1.43 -0.30 -2.44 118.68 114.90 2kjz s LEU 49 Ca 0.42 -0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2kjz s LEU 49 Cb -0.04 -0.50 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 2kjz s LEU 49 CO 0.26 -0.35 -0.05 0.86 0.23 0.00 0.00 176.35 177.30 2kjz s TRP 50 N 1.94 2.99 0.08 0.29 -0.11 -0.63 -1.10 118.94 122.40 2kjz s TRP 50 Ca 0.03 -0.37 -0.31 0.00 1.22 0.00 0.00 56.10 56.67 2kjz s TRP 50 Cb -0.17 -1.95 -0.06 0.00 -1.50 0.00 0.00 33.47 29.79 2kjz s TRP 50 CO -0.15 -0.08 1.27 -1.12 -4.62 0.00 0.00 176.95 172.24 2kjz s SER 51 N 0.42 6.99 0.51 5.86 0.01 -1.18 -1.49 113.70 124.80 2kjz s SER 51 Ca -0.05 2.13 0.34 0.00 1.31 0.00 0.00 55.95 59.68 2kjz s SER 51 Cb -0.14 -2.58 1.52 0.00 0.21 0.00 0.00 66.02 65.03 2kjz s SER 51 CO 0.03 -0.54 2.00 0.08 0.41 0.00 0.00 173.24 175.23 2kjz h ARG 52 N 6.81 0.00 0.00 12.44 0.11 -1.50 -1.54 114.38 130.70 2kjz h ARG 52 Ca -0.42 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.60 2kjz h ARG 52 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 2kjz h ARG 52 CO 0.83 0.00 -0.29 1.12 0.10 0.00 0.00 179.97 181.73 2kjz h HIS 53 N 0.00 0.00 -0.10 4.08 2.07 -1.87 -3.29 115.15 116.04 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 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.32 2kjz h HIS 53 CO 0.00 0.29 0.00 -2.37 -3.07 0.00 0.00 177.93 172.78 2kjz n THR 54 N -3.28 0.63 -2.17 6.12 5.66 -0.67 -4.99 114.28 115.57 2kjz n THR 54 Ca 0.01 -0.81 -0.34 0.00 -3.05 0.00 0.00 64.05 59.86 2kjz n THR 54 Cb 0.56 0.73 0.01 0.00 -1.55 0.00 0.00 70.33 70.07 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 -0.79 3.44 -0.14 1.08 0.11 -0.68 -4.96 120.40 118.46 2kjz s VAL 55 Ca 0.09 0.80 -0.01 0.00 -2.93 0.00 0.00 61.98 59.94 2kjz s VAL 55 Cb 0.05 -3.30 0.04 0.00 -1.53 0.00 0.00 36.38 31.64 2kjz s VAL 55 CO 0.07 -0.28 -0.05 -1.61 -3.33 0.00 0.00 175.10 169.90 2kjz s GLU 56 N -3.60 1.32 0.29 1.54 2.02 -1.26 -1.96 118.70 117.06 2kjz s GLU 56 Ca 0.69 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 55.04 2kjz s GLU 56 Cb -0.20 -1.75 -0.10 0.00 0.10 0.00 0.00 34.13 32.18 2kjz s GLU 56 CO 0.30 -0.38 1.12 -2.14 0.02 0.00 0.00 175.26 174.18 2kjz s PRO 57 N 1.71 4.57 -0.22 0.39 0.02 -1.26 -5.06 135.00 135.15 2kjz s PRO 57 Ca 0.03 1.83 -0.28 0.00 0.02 0.00 0.00 61.00 62.59 2kjz s PRO 57 Cb -0.14 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 2kjz s PRO 57 CO -0.08 0.14 2.20 0.21 -0.33 0.00 0.00 177.00 179.15 2kjz s LYS 58 N -1.56 3.13 -0.36 5.54 2.36 -0.83 -4.94 119.74 123.08 2kjz s LYS 58 Ca 0.46 2.00 -0.08 0.00 -2.55 0.00 0.00 55.97 55.80 2kjz s LYS 58 Cb -0.32 -4.37 0.05 0.00 -1.05 0.00 0.00 37.83 32.14 2kjz s LYS 58 CO 0.41 -2.10 0.16 0.00 1.55 0.00 0.00 175.35 175.37 2kjz s ALA 59 N 8.26 3.14 -1.12 3.13 0.00 -1.26 -5.04 121.76 128.88 2kjz s ALA 59 Ca 1.00 -1.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 2kjz s ALA 59 Cb -0.32 -2.42 0.07 0.00 0.00 0.00 0.00 23.12 20.45 2kjz s ALA 59 CO 0.35 -1.43 1.52 -1.54 0.00 0.00 0.00 175.76 174.66 2kjz s SER 60 N 1.59 6.66 -0.03 0.00 1.04 -1.26 -4.81 113.70 116.90 2kjz s SER 60 Ca 0.00 -1.94 -0.03 0.00 0.48 0.00 0.00 55.95 54.46 2kjz s SER 60 Cb -0.20 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.38 2kjz s SER 60 CO 0.03 -1.31 0.09 0.54 0.98 0.00 0.00 173.24 173.57 2kjz s VAL 61 N 4.30 0.02 -0.23 5.02 0.11 -1.26 -5.16 120.40 123.20 2kjz s VAL 61 Ca 0.47 -0.14 -0.26 0.00 -2.93 0.00 0.00 61.98 59.12 2kjz s VAL 61 Cb 0.01 -0.17 0.08 0.00 -1.53 0.00 0.00 36.38 34.76 2kjz s VAL 61 CO -0.03 -0.08 0.75 0.42 -3.33 0.00 0.00 175.10 172.83 2kjz s THR 62 N -0.21 0.00 0.00 5.04 -4.23 -1.26 -5.01 115.64 109.97 2kjz s THR 62 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 2kjz s THR 62 Cb -0.02 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.82 2kjz s THR 62 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2kjz n GLY 63 N 2.28 2.46 0.11 3.99 0.00 -1.17 -5.02 105.19 107.85 2kjz n GLY 63 Ca -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -2.31 7.00 -0.02 0.00 -0.79 -4.48 105.19 104.59 2kjz n GLY 64 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.84 0.69 3.82 -0.02 0.00 -1.26 -3.83 105.19 103.74 2kjz n GLY 65 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.09 1.60 0.12 -0.02 0.00 -1.26 -4.84 107.32 102.83 2kjz s GLY 66 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 44.72 44.37 2kjz s GLY 66 CO 0.00 0.09 0.15 -0.54 0.00 0.00 0.00 173.10 172.81 2kjz s GLU 67 N -5.27 3.07 -0.39 2.90 2.02 -1.26 -3.85 118.70 115.93 2kjz s GLU 67 Ca 0.62 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.93 2kjz s GLU 67 Cb -0.14 -2.79 0.11 0.00 0.10 0.00 0.00 34.13 31.41 2kjz s GLU 67 CO 0.53 0.54 0.13 -1.17 0.02 0.00 0.00 175.26 175.31 2kjz s LEU 68 N -2.79 4.88 -0.35 1.80 2.96 0.00 -4.98 118.68 120.20 2kjz s LEU 68 Ca 0.32 -2.24 -0.20 0.00 -0.22 0.00 0.00 54.13 51.78 2kjz s LEU 68 Cb -0.11 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.88 2kjz s LEU 68 CO 0.24 -0.41 0.63 0.00 -1.32 0.00 0.00 176.35 175.49 2kjz s ALA 69 N 0.81 3.46 -0.22 5.97 0.00 -1.26 -0.86 121.76 129.65 2kjz s ALA 69 Ca 0.11 -0.86 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 2kjz s ALA 69 Cb -0.21 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2kjz s ALA 69 CO -0.06 -1.33 0.66 -0.06 0.00 0.00 0.00 175.76 174.97 2kjz s PHE 70 N 2.69 3.34 -0.19 0.00 0.40 -0.03 -4.97 117.98 119.22 2kjz s PHE 70 Ca 0.24 0.93 -0.11 0.00 -0.60 0.00 0.00 56.93 57.39 2kjz s PHE 70 Cb -0.15 -2.85 -0.05 0.00 0.51 0.00 0.00 43.02 40.49 2kjz s PHE 70 CO 0.15 -0.25 0.17 1.03 0.70 0.00 0.00 175.22 177.02 2kjz s ARG 71 N 2.19 4.21 0.23 0.44 0.52 -1.26 -1.78 118.95 123.50 2kjz s ARG 71 Ca 0.29 -0.14 0.04 0.00 -0.52 0.00 0.00 55.73 55.40 2kjz s ARG 71 Cb -0.16 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 31.84 2kjz s ARG 71 CO 0.10 0.28 -0.01 0.14 0.02 0.00 0.00 175.30 175.83 2kjz s VAL 72 N 0.41 1.07 0.18 3.52 -7.23 -1.21 -5.01 120.40 112.13 2kjz s VAL 72 Ca 0.10 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.15 2kjz s VAL 72 Cb -0.12 -2.36 0.05 0.00 0.56 0.00 0.00 36.38 34.52 2kjz s VAL 72 CO -0.00 -0.32 1.62 1.05 -0.31 0.00 0.00 175.10 177.14 2kjz h GLU 73 N 2.46 1.04 0.00 4.82 4.11 -1.96 -3.43 114.58 121.60 2kjz h GLU 73 Ca -0.38 -0.36 0.03 0.00 0.07 0.00 0.00 59.36 58.71 2kjz h GLU 73 Cb 1.22 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2kjz h GLU 73 CO 0.65 1.05 0.37 0.27 0.07 0.00 0.00 179.01 181.42 2kjz n ASN 74 N -4.15 -2.15 0.26 3.06 0.23 -1.26 -4.89 115.26 106.36 2kjz n ASN 74 Ca 0.02 -2.40 0.08 0.00 -0.53 0.00 0.00 54.58 51.75 2kjz n ASN 74 Cb 0.39 3.55 0.64 0.00 -2.08 0.00 0.00 39.78 42.28 2kjz n ASN 74 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2kjz h ASP 75 N 1.98 0.00 -0.15 0.53 2.03 -1.91 -1.90 116.42 117.00 2kjz h ASP 75 Ca -0.32 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.96 2kjz h ASP 75 Cb 1.23 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.72 2kjz h ASP 75 CO 0.41 0.00 0.03 0.00 -1.03 0.00 0.00 179.24 178.65 2kjz h ALA 76 N 2.00 0.20 0.00 4.15 0.00 -1.97 -2.99 119.26 120.65 2kjz h ALA 76 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2kjz h ALA 76 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kjz h ALA 76 CO 0.00 -0.15 -0.07 1.96 0.00 0.00 0.00 179.25 180.99 2kjz h GLN 77 N 0.04 0.00 -0.24 0.00 1.08 -1.77 -1.48 115.11 112.74 2kjz h GLN 77 Ca 0.05 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 2kjz h GLN 77 Cb 0.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2kjz h GLN 77 CO 0.00 0.07 -0.01 0.28 -0.95 0.00 0.00 178.83 178.22 2kjz h VAL 78 N 0.00 1.26 0.00 -0.54 2.07 -1.46 -2.56 116.25 115.02 2kjz h VAL 78 Ca -0.00 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 2kjz h VAL 78 Cb 0.29 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2kjz h VAL 78 CO 0.01 0.29 -0.56 -0.78 0.02 0.00 0.00 177.57 176.55 2kjz h ASP 79 N 0.19 0.00 -0.35 0.57 3.58 -1.24 -1.65 116.42 117.52 2kjz h ASP 79 Ca 0.07 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.38 2kjz h ASP 79 Cb 0.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2kjz h ASP 79 CO 0.01 0.56 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.29 2kjz h GLU 80 N 0.00 0.83 -0.16 0.28 5.08 -1.32 -2.79 114.58 116.49 2kjz h GLU 80 Ca -0.01 -0.42 -0.08 0.00 -1.00 0.00 0.00 59.36 57.85 2kjz h GLU 80 Cb 1.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2kjz h GLU 80 CO 0.07 1.06 -0.27 1.15 -1.00 0.00 0.00 179.01 180.02 2kjz h THR 81 N 0.62 1.26 0.43 1.13 2.02 -1.26 -1.99 112.91 115.11 2kjz h THR 81 Ca 0.06 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 2kjz h THR 81 Cb 0.89 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 2kjz h THR 81 CO 0.08 0.37 -0.52 0.15 0.37 0.00 0.00 175.52 175.97 2kjz h PHE 82 N 0.27 -1.45 -0.83 3.16 3.04 -1.20 -2.12 116.94 117.81 2kjz h PHE 82 Ca 0.04 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 2kjz h PHE 82 Cb 0.63 0.58 -0.04 0.00 2.56 0.00 0.00 35.95 39.68 2kjz h PHE 82 CO 0.01 -0.67 0.48 0.00 -2.02 0.00 0.00 178.31 176.12 2kjz h ALA 83 N -0.82 1.29 -0.39 2.41 0.00 -1.33 -1.74 119.26 118.68 2kjz h ALA 83 Ca -0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2kjz h ALA 83 Cb 0.86 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2kjz h ALA 83 CO -0.11 0.60 -0.02 0.78 0.00 0.00 0.00 179.25 180.49 2kjz h GLY 84 N 1.17 0.75 0.92 0.00 0.00 -1.32 -0.65 103.07 103.95 2kjz h GLY 84 Ca 0.30 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2kjz h GLY 84 CO -0.05 0.52 0.12 1.49 0.00 0.00 0.00 176.54 178.62 2kjz h TRP 85 N 0.51 0.55 -0.57 5.60 6.55 -1.19 -1.84 115.95 125.56 2kjz h TRP 85 Ca 0.11 -0.05 0.06 0.00 0.95 0.00 0.00 58.89 59.96 2kjz h TRP 85 Cb 0.50 -0.16 -0.05 0.00 -0.86 0.00 0.00 29.16 28.59 2kjz h TRP 85 CO 0.04 0.53 0.27 -0.22 -1.05 0.00 0.00 178.44 178.01 2kjz h LYS 86 N 0.41 0.49 0.00 0.49 3.64 -1.24 -1.30 116.57 119.07 2kjz h LYS 86 Ca 0.11 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2kjz h LYS 86 Cb 0.23 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2kjz h LYS 86 CO -0.01 0.33 -0.38 0.00 -2.27 0.00 0.00 179.45 177.12 2kjz h ALA 87 N 1.33 1.32 -0.65 5.00 0.00 -0.99 -2.89 119.26 122.38 2kjz h ALA 87 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kjz h ALA 87 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kjz h ALA 87 CO -0.21 0.48 0.00 0.43 0.00 0.00 0.00 179.25 179.95 2kjz n SER 88 N -4.01 4.41 -0.91 0.00 7.64 -0.70 -4.96 113.62 115.08 2kjz n SER 88 Ca -0.02 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.54 2kjz n SER 88 Cb 0.42 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 1.25 0.68 3.86 0.23 0.00 -0.56 -5.02 105.19 105.63 2kjz n GLY 89 Ca 0.25 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.59 4.92 0.03 1.61 0.11 -0.89 -4.67 120.40 118.92 2kjz s VAL 90 Ca 0.00 -0.76 -0.22 0.00 -2.93 0.00 0.00 61.98 58.07 2kjz s VAL 90 Cb 0.00 -3.47 -0.16 0.00 -1.53 0.00 0.00 36.38 31.23 2kjz s VAL 90 CO 0.00 -0.00 1.37 0.00 -3.33 0.00 0.00 175.10 173.13 2kjz h ALA 91 N 2.66 0.14 -4.63 1.54 0.00 -1.26 -3.44 119.26 114.27 2kjz h ALA 91 Ca -0.47 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2kjz h ALA 91 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kjz h ALA 91 CO 0.68 -0.08 -0.51 -0.12 0.00 0.00 0.00 179.25 179.22 2kjz n MET 92 N -4.71 -2.09 -3.74 0.00 0.00 -1.23 -4.90 117.12 100.45 2kjz n MET 92 Ca -0.07 1.90 -0.28 0.00 0.00 0.00 0.00 57.70 59.25 2kjz n MET 92 Cb 0.28 -4.44 -0.12 0.00 0.00 0.00 0.00 33.22 28.94 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 -1.79 3.50 0.00 -0.89 -0.00 -1.26 -4.93 118.68 113.32 2kjz s LEU 93 Ca 0.11 -3.32 0.00 0.00 -0.00 0.00 0.00 54.13 50.92 2kjz s LEU 93 Cb -0.03 -1.22 0.00 0.00 -0.00 0.00 0.00 46.19 44.94 2kjz s LEU 93 CO 0.57 -0.16 0.00 1.67 -0.00 0.00 0.00 176.35 178.43 2kjz n GLN 94 N 2.63 0.00 -3.05 1.48 0.00 -1.25 -4.90 117.38 112.30 2kjz n GLN 94 Ca 0.18 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.78 2kjz n GLN 94 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.56 2kjz n GLN 94 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2kjz s GLN 95 N -1.00 4.23 -0.60 3.69 -0.21 -1.26 -4.64 119.66 119.87 2kjz s GLN 95 Ca 0.00 0.74 -0.26 0.00 0.02 0.00 0.00 55.36 55.86 2kjz s GLN 95 Cb 0.00 -3.58 -0.06 0.00 1.00 0.00 0.00 33.01 30.37 2kjz s GLN 95 CO 0.00 -0.28 2.16 -1.25 -2.12 0.00 0.00 175.29 173.81 2kjz s PRO 96 N 2.02 2.28 0.12 2.91 0.04 -1.26 -4.72 135.00 136.40 2kjz s PRO 96 Ca 0.31 0.87 0.04 0.00 0.04 0.00 0.00 61.00 62.27 2kjz s PRO 96 Cb -0.16 -4.57 -0.04 0.00 0.04 0.00 0.00 34.50 29.77 2kjz s PRO 96 CO 0.11 -3.20 -0.10 0.00 0.04 0.00 0.00 177.00 173.84 2kjz s ALA 97 N 11.12 1.30 -0.53 8.56 0.00 -0.72 -4.93 121.76 136.56 2kjz s ALA 97 Ca 0.83 -1.34 -0.28 0.00 0.00 0.00 0.00 51.96 51.17 2kjz s ALA 97 Cb -0.14 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 2kjz s ALA 97 CO 0.20 -0.06 1.60 0.21 0.00 0.00 0.00 175.76 177.72 2kjz s LYS 98 N -3.24 3.14 0.49 0.00 2.36 -1.26 -1.64 119.74 119.58 2kjz s LYS 98 Ca 0.11 0.69 0.09 0.00 -2.55 0.00 0.00 55.97 54.31 2kjz s LYS 98 Cb -0.00 -4.20 0.04 0.00 -1.05 0.00 0.00 37.83 32.61 2kjz s LYS 98 CO 0.00 -2.12 0.65 1.41 1.55 0.00 0.00 175.35 176.84 2kjz s MET 99 N 5.92 2.58 0.36 4.03 -2.45 -0.38 -4.93 119.30 124.44 2kjz s MET 99 Ca 0.62 -1.45 0.08 0.00 -1.25 0.00 0.00 55.69 53.69 2kjz s MET 99 Cb -0.14 -2.68 0.80 0.00 1.25 0.00 0.00 34.83 34.07 2kjz s MET 99 CO 0.26 -0.52 1.92 0.93 1.05 0.00 0.00 175.02 178.65 2kjz h GLU 100 N 0.47 0.68 -0.00 4.11 4.39 -2.01 -1.29 114.58 120.92 2kjz h GLU 100 Ca -0.36 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2kjz h GLU 100 Cb 1.28 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2kjz h GLU 100 CO 0.44 0.45 -0.42 1.19 -1.16 0.00 0.00 179.01 179.51 2kjz n PHE 101 N -4.51 0.00 0.00 4.33 3.72 -1.26 -4.84 117.46 114.90 2kjz n PHE 101 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2kjz n PHE 101 Cb 0.35 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2kjz n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kjz n GLY 102 N 1.45 0.62 3.58 1.37 0.00 -0.49 -2.24 105.19 109.48 2kjz n GLY 102 Ca 0.08 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 2kjz n GLY 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kjz s TYR 103 N -0.77 2.32 0.24 1.61 5.04 -0.41 -1.25 117.35 124.13 2kjz s TYR 103 Ca 0.00 0.51 0.03 0.00 -2.44 0.00 0.00 57.07 55.17 2kjz s TYR 103 Cb 0.00 -4.38 -0.05 0.00 0.35 0.00 0.00 41.96 37.87 2kjz s TYR 103 CO 0.00 -1.95 0.02 -0.08 -1.34 0.00 0.00 175.55 172.20 2kjz s THR 104 N 5.91 0.95 0.14 4.34 -1.32 -0.65 -0.79 115.64 124.22 2kjz s THR 104 Ca 0.53 -2.02 -0.18 0.00 -1.21 0.00 0.00 61.69 58.81 2kjz s THR 104 Cb -0.11 -2.43 0.05 0.00 -1.51 0.00 0.00 72.50 68.49 2kjz s THR 104 CO 0.26 -0.24 0.47 0.12 -2.21 0.00 0.00 174.62 173.02 2kjz s PHE 105 N -3.47 -0.31 -0.06 9.09 5.36 -0.47 -1.75 117.98 126.37 2kjz s PHE 105 Ca 0.31 0.02 0.01 0.00 -0.96 0.00 0.00 56.93 56.31 2kjz s PHE 105 Cb 0.06 0.36 0.02 0.00 -0.34 0.00 0.00 43.02 43.12 2kjz s PHE 105 CO 0.10 -0.76 -0.05 0.99 -1.46 0.00 0.00 175.22 174.05 2kjz s THR 106 N -3.79 0.63 0.13 0.12 2.01 -1.26 -1.35 115.64 112.12 2kjz s THR 106 Ca 0.03 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 61.93 2kjz s THR 106 Cb 0.01 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 2kjz s THR 106 CO -0.12 0.26 0.07 0.00 -0.69 0.00 0.00 174.62 174.13 2kjz s ALA 107 N 1.12 3.44 -0.27 7.40 0.00 -0.13 -3.79 121.76 129.53 2kjz s ALA 107 Ca -0.08 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.65 2kjz s ALA 107 Cb -0.14 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2kjz s ALA 107 CO -0.01 0.60 0.04 0.00 0.00 0.00 0.00 175.76 176.39 2kjz s ALA 108 N -1.57 3.00 1.04 0.00 0.00 -1.26 -1.52 121.76 121.45 2kjz s ALA 108 Ca 0.29 -1.35 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 2kjz s ALA 108 Cb -0.11 -2.01 0.21 0.00 0.00 0.00 0.00 23.12 21.21 2kjz s ALA 108 CO 0.21 -0.76 1.09 0.16 0.00 0.00 0.00 175.76 176.46 2kjz s ASP 109 N 1.50 2.20 0.34 0.00 -4.77 -1.26 -0.82 116.67 113.86 2kjz s ASP 109 Ca 0.03 1.16 0.14 0.00 -3.30 0.00 0.00 52.55 50.58 2kjz s ASP 109 Cb -0.16 -1.81 1.04 0.00 -1.09 0.00 0.00 42.92 40.89 2kjz s ASP 109 CO 0.01 -3.39 1.69 -0.65 0.70 0.00 0.00 175.17 173.53 2kjz h PRO 110 N -2.07 0.39 0.00 2.11 0.11 -1.97 -0.22 132.00 130.35 2kjz h PRO 110 Ca -0.55 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2kjz h PRO 110 Cb 1.33 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kjz h PRO 110 CO 0.56 0.26 -0.24 -0.25 -0.21 0.00 0.00 178.00 178.12 2kjz n ASP 111 N -4.95 0.43 -1.96 -2.05 9.92 -1.26 -5.00 116.55 111.68 2kjz n ASP 111 Ca 0.30 0.26 -0.03 0.00 -0.53 0.00 0.00 54.79 54.80 2kjz n ASP 111 Cb 0.92 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 2kjz n ASP 111 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2kjz n SER 112 N -1.78 -4.07 -4.65 -2.24 7.64 -0.10 -4.32 113.62 104.10 2kjz n SER 112 Ca 0.06 0.22 -0.32 0.00 1.01 0.00 0.00 58.87 59.83 2kjz n SER 112 Cb 0.38 -2.53 -0.07 0.00 -1.01 0.00 0.00 64.21 60.98 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 -0.37 1.16 -3.43 1.43 8.25 -1.26 -1.89 115.22 119.12 2kjz n HIS 113 Ca 0.04 -2.48 -0.44 0.00 -0.26 0.00 0.00 57.72 54.58 2kjz n HIS 113 Cb 0.14 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 30.86 2kjz n HIS 113 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2kjz s ARG 114 N -3.82 2.79 -0.52 -0.41 1.81 -1.25 -4.17 118.95 113.40 2kjz s ARG 114 Ca 0.00 -1.80 -0.17 0.00 -1.72 0.00 0.00 55.73 52.04 2kjz s ARG 114 Cb 0.00 -4.13 0.08 0.00 -0.45 0.00 0.00 34.95 30.45 2kjz s ARG 114 CO 0.00 -1.27 0.55 -0.51 -0.68 0.00 0.00 175.30 173.39 2kjz s LEU 115 N 1.37 5.47 0.23 2.53 1.43 -0.58 -0.82 118.68 128.31 2kjz s LEU 115 Ca 0.05 -1.30 -0.13 0.00 -1.03 0.00 0.00 54.13 51.73 2kjz s LEU 115 Cb -0.27 -2.29 -0.08 0.00 0.03 0.00 0.00 46.19 43.58 2kjz s LEU 115 CO 0.00 -0.85 0.61 -0.13 0.23 0.00 0.00 176.35 176.21 2kjz s ARG 116 N 2.16 3.92 -0.02 1.70 1.81 -0.04 -0.95 118.95 127.52 2kjz s ARG 116 Ca 0.09 0.46 0.00 0.00 -1.72 0.00 0.00 55.73 54.56 2kjz s ARG 116 Cb -0.24 -2.67 0.03 0.00 -0.45 0.00 0.00 34.95 31.62 2kjz s ARG 116 CO 0.08 0.32 0.01 0.54 -0.68 0.00 0.00 175.30 175.56 2kjz s VAL 117 N -1.76 0.08 0.13 3.52 0.11 -0.46 -0.85 120.40 121.16 2kjz s VAL 117 Ca 0.47 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 2kjz s VAL 117 Cb -0.12 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 2kjz s VAL 117 CO 0.20 0.12 0.00 -0.72 -3.33 0.00 0.00 175.10 171.37 2kjz s TYR 118 N 0.97 0.93 -0.23 1.54 1.13 -0.73 -1.37 117.35 119.59 2kjz s TYR 118 Ca -0.09 -1.08 0.01 0.00 -1.41 0.00 0.00 57.07 54.50 2kjz s TYR 118 Cb -0.13 -0.54 0.05 0.00 -1.10 0.00 0.00 41.96 40.24 2kjz s TYR 118 CO -0.02 -0.33 -0.08 0.00 -2.51 0.00 0.00 175.55 172.61 2kjz s ALA 119 N -3.83 2.08 -0.11 9.51 0.00 0.03 -3.31 121.76 126.13 2kjz s ALA 119 Ca 0.19 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 2kjz s ALA 119 Cb 0.07 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2kjz s ALA 119 CO -0.00 -1.05 1.48 0.12 0.00 0.00 0.00 175.76 176.30 2kjz s PHE 120 N 1.34 2.36 -0.84 0.00 5.36 -1.26 -1.29 117.98 123.66 2kjz s PHE 120 Ca -0.05 0.57 -0.25 0.00 -0.96 0.00 0.00 56.93 56.24 2kjz s PHE 120 Cb -0.18 -3.74 0.02 0.00 -0.34 0.00 0.00 43.02 38.77 2kjz s PHE 120 CO -0.07 -2.86 1.53 0.00 -1.46 0.00 0.00 175.22 172.36 2kjz s ALA 121 N 3.87 2.49 0.00 11.12 0.00 -0.95 -4.93 121.76 133.36 2kjz s ALA 121 Ca 0.65 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2kjz s ALA 121 Cb -0.28 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.44 2kjz s ALA 121 CO 0.23 -3.72 0.00 0.41 0.00 0.00 0.00 175.76 172.68