#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 0.07 -0.26 3.17 2.01 -1.26 -5.14 115.64 114.23 2kjz s THR 2 Ca 0.00 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 2kjz s THR 2 Cb 0.00 -0.24 0.09 0.00 0.01 0.00 0.00 72.50 72.36 2kjz s THR 2 CO 0.00 -0.33 0.10 -1.00 -0.69 0.00 0.00 174.62 172.70 2kjz s HIS 3 N -1.00 0.82 -0.45 4.92 3.76 -1.26 -5.05 115.29 117.03 2kjz s HIS 3 Ca -0.11 -1.04 -0.03 0.00 -0.15 0.00 0.00 55.06 53.72 2kjz s HIS 3 Cb -0.07 -1.12 0.09 0.00 1.11 0.00 0.00 32.58 32.59 2kjz s HIS 3 CO -0.00 -0.76 2.66 -0.35 -0.85 0.00 0.00 174.74 175.44 2kjz n PRO 4 N 5.11 2.34 0.00 8.40 -0.04 -1.26 -4.66 135.00 144.88 2kjz n PRO 4 Ca -0.06 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 2kjz n PRO 4 Cb 0.44 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 2kjz n PRO 4 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kjz n ASP 5 N 0.76 0.37 -3.92 3.54 5.75 -1.26 -4.71 116.55 117.09 2kjz n ASP 5 Ca 0.47 -1.55 -0.21 0.00 -0.01 0.00 0.00 54.79 53.50 2kjz n ASP 5 Cb 0.55 -0.19 -0.16 0.00 -1.03 0.00 0.00 41.12 40.29 2kjz n ASP 5 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2kjz s PHE 6 N -1.52 0.87 -0.00 2.11 5.36 -1.26 -1.58 117.98 121.96 2kjz s PHE 6 Ca 0.00 -0.26 0.05 0.00 -0.96 0.00 0.00 56.93 55.76 2kjz s PHE 6 Cb 0.00 -0.73 -0.01 0.00 -0.34 0.00 0.00 43.02 41.94 2kjz s PHE 6 CO 0.00 -0.20 -0.17 -0.08 -1.46 0.00 0.00 175.22 173.31 2kjz s THR 7 N 0.84 1.31 -0.05 0.12 -1.32 -0.63 -4.99 115.64 110.92 2kjz s THR 7 Ca -0.12 -0.77 0.06 0.00 -1.21 0.00 0.00 61.69 59.65 2kjz s THR 7 Cb -0.15 -1.10 -0.02 0.00 -1.51 0.00 0.00 72.50 69.72 2kjz s THR 7 CO 0.01 0.32 -0.23 -0.63 -2.21 0.00 0.00 174.62 171.88 2kjz s ILE 8 N -0.46 2.26 0.05 5.08 1.01 -1.26 -1.28 121.20 126.60 2kjz s ILE 8 Ca 0.06 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 2kjz s ILE 8 Cb -0.07 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2kjz s ILE 8 CO -0.00 0.57 0.31 -0.76 0.00 0.00 0.00 174.94 175.06 2kjz s LEU 9 N -0.37 4.34 -0.65 2.97 2.01 -0.88 -4.92 118.68 121.18 2kjz s LEU 9 Ca 0.03 0.58 -0.14 0.00 0.01 0.00 0.00 54.13 54.61 2kjz s LEU 9 Cb -0.12 -2.89 0.16 0.00 0.01 0.00 0.00 46.19 43.36 2kjz s LEU 9 CO 0.02 0.19 0.58 -0.47 1.01 0.00 0.00 176.35 177.68 2kjz s TYR 10 N -1.41 3.48 0.56 0.29 5.04 -1.26 -2.39 117.35 121.66 2kjz s TYR 10 Ca 0.32 -1.69 0.05 0.00 -2.44 0.00 0.00 57.07 53.31 2kjz s TYR 10 Cb -0.13 -3.75 0.05 0.00 0.35 0.00 0.00 41.96 38.49 2kjz s TYR 10 CO 0.19 -1.00 0.45 1.33 -1.34 0.00 0.00 175.55 175.19 2kjz n VAL 11 N 4.64 0.00 0.03 3.14 0.24 -0.68 -4.91 118.33 120.78 2kjz n VAL 11 Ca -0.02 -2.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.09 2kjz n VAL 11 Cb 0.43 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2kjz n VAL 11 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kjz n ASP 12 N -1.87 0.32 -4.51 -1.34 2.03 -1.26 -0.41 116.55 109.51 2kjz n ASP 12 Ca -0.00 0.09 -0.43 0.00 0.52 0.00 0.00 54.79 54.96 2kjz n ASP 12 Cb 0.63 -0.07 -0.05 0.00 -0.72 0.00 0.00 41.12 40.92 2kjz n ASP 12 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kjz s ASN 13 N -5.30 6.31 0.12 1.67 -0.87 -1.26 -4.59 114.94 111.02 2kjz s ASN 13 Ca 0.00 -0.47 -0.28 0.00 -1.57 0.00 0.00 52.86 50.54 2kjz s ASN 13 Cb 0.00 -2.41 -0.07 0.00 -0.02 0.00 0.00 41.25 38.75 2kjz s ASN 13 CO 0.00 -1.18 1.62 -0.65 -2.57 0.00 0.00 177.10 174.32 2kjz h PRO 14 N 9.26 -0.50 0.85 -0.60 0.11 -1.92 -2.50 132.00 136.72 2kjz h PRO 14 Ca -0.26 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.84 2kjz h PRO 14 Cb 1.08 0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2kjz h PRO 14 CO 1.07 -0.33 -0.44 -1.35 -0.21 0.00 0.00 178.00 176.74 2kjz h PRO 15 N -0.51 -1.14 -0.44 1.05 0.11 -1.95 -2.85 132.00 126.27 2kjz h PRO 15 Ca 0.04 0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2kjz h PRO 15 Cb 0.57 0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2kjz h PRO 15 CO -0.22 -0.76 0.20 0.00 -0.21 0.00 0.00 178.00 177.00 2kjz h ALA 16 N -1.06 0.57 0.02 -0.75 0.00 -2.00 -1.95 119.26 114.10 2kjz h ALA 16 Ca -0.12 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 2kjz h ALA 16 Cb 0.92 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2kjz h ALA 16 CO 0.17 0.15 -0.98 0.66 0.00 0.00 0.00 179.25 179.26 2kjz h SER 17 N 0.57 0.44 -0.35 0.00 4.64 -1.56 -2.27 113.55 115.02 2kjz h SER 17 Ca 0.15 -0.37 -0.14 0.00 -0.47 0.00 0.00 61.79 60.95 2kjz h SER 17 Cb 0.15 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2kjz h SER 17 CO -0.02 1.19 -0.33 0.74 -0.87 0.00 0.00 176.83 177.55 2kjz h THR 18 N 0.17 1.27 -0.40 2.95 2.02 -1.29 -1.42 112.91 116.21 2kjz h THR 18 Ca -0.08 -1.49 -0.06 0.00 0.77 0.00 0.00 66.41 65.55 2kjz h THR 18 Cb 1.63 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 2kjz h THR 18 CO 0.16 0.50 0.02 1.56 0.37 0.00 0.00 175.52 178.13 2kjz h GLN 19 N 0.74 0.64 -0.46 6.66 1.08 -1.39 -1.19 115.11 121.19 2kjz h GLN 19 Ca 0.08 -0.14 -0.13 0.00 -1.45 0.00 0.00 58.65 57.00 2kjz h GLN 19 Cb 0.90 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 2kjz h GLN 19 CO 0.08 0.65 -0.23 0.35 -0.95 0.00 0.00 178.83 178.72 2kjz h PHE 20 N 0.61 1.10 -0.02 2.96 3.57 -1.03 -2.59 116.94 121.53 2kjz h PHE 20 Ca 0.13 -0.27 -0.11 0.00 3.53 0.00 0.00 57.97 61.25 2kjz h PHE 20 Cb 0.36 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2kjz h PHE 20 CO 0.02 1.08 -0.52 1.88 -2.23 0.00 0.00 178.31 178.54 2kjz h TYR 21 N 0.82 0.06 -0.34 0.41 -1.99 -1.03 -1.49 116.97 113.41 2kjz h TYR 21 Ca 0.10 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.85 2kjz h TYR 21 Cb 0.80 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.49 2kjz h TYR 21 CO 0.05 0.56 0.12 0.87 -0.00 0.00 0.00 178.16 179.76 2kjz h LYS 22 N 0.04 0.26 0.04 4.88 1.57 -0.84 -1.78 116.57 120.74 2kjz h LYS 22 Ca -0.00 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 2kjz h LYS 22 Cb 0.93 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 2kjz h LYS 22 CO 0.07 0.17 -1.01 0.00 -0.57 0.00 0.00 179.45 178.10 2kjz h ALA 23 N 1.21 0.33 -0.14 3.86 0.00 -1.51 0.36 119.26 123.37 2kjz h ALA 23 Ca 0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2kjz h ALA 23 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kjz h ALA 23 CO -0.15 0.90 0.03 1.25 0.00 0.00 0.00 179.25 181.28 2kjz h LEU 24 N 0.14 0.17 0.00 0.00 5.85 -0.99 -3.17 115.31 117.31 2kjz h LEU 24 Ca -0.08 -0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.34 2kjz h LEU 24 Cb 1.68 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 2kjz h LEU 24 CO 0.17 0.18 -2.08 0.18 -0.34 0.00 0.00 178.44 176.55 2kjz n LEU 25 N -4.45 2.97 0.00 2.25 4.77 -0.69 -5.04 117.00 116.81 2kjz n LEU 25 Ca -0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2kjz n LEU 25 Cb 0.13 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2kjz n LEU 25 CO 0.35 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 2kjz n GLY 26 N 2.59 1.43 3.33 -0.72 0.00 0.00 -5.11 105.19 106.72 2kjz n GLY 26 Ca -0.33 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.01 0.00 -4.03 1.61 0.24 -0.54 -5.01 118.33 108.59 2kjz n VAL 27 Ca 0.00 -2.29 -0.11 0.00 -2.04 0.00 0.00 64.34 59.90 2kjz n VAL 27 Cb 0.16 0.68 -0.11 0.00 -1.47 0.00 0.00 33.84 33.10 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 -3.51 0.59 -0.29 -1.34 -4.77 -1.26 -4.43 116.67 101.66 2kjz s ASP 28 Ca 0.12 -0.57 -0.29 0.00 -3.30 0.00 0.00 52.55 48.52 2kjz s ASP 28 Cb 0.01 0.07 -0.02 0.00 -1.09 0.00 0.00 42.92 41.89 2kjz s ASP 28 CO 0.09 -0.27 1.71 -2.84 0.70 0.00 0.00 175.17 174.55 2kjz s PRO 29 N -1.71 3.54 0.17 2.11 0.02 -1.26 -4.69 135.00 133.17 2kjz s PRO 29 Ca -0.11 1.50 -0.12 0.00 0.02 0.00 0.00 61.00 62.30 2kjz s PRO 29 Cb -0.09 -4.12 0.07 0.00 0.02 0.00 0.00 34.50 30.37 2kjz s PRO 29 CO -0.01 -1.61 1.70 -0.24 -0.33 0.00 0.00 177.00 176.51 2kjz h VAL 30 N 6.52 1.24 -3.61 3.83 3.04 -1.47 -3.42 116.25 122.38 2kjz h VAL 30 Ca -0.34 -0.82 -0.67 0.00 -1.01 0.00 0.00 66.70 63.87 2kjz h VAL 30 Cb 1.16 0.67 -0.17 0.00 -2.01 0.00 0.00 31.29 30.94 2kjz h VAL 30 CO 1.02 0.31 -0.71 -1.61 -1.01 0.00 0.00 177.57 175.57 2kjz s GLU 31 N -5.41 2.45 0.01 4.17 0.41 -0.69 -5.04 118.70 114.60 2kjz s GLU 31 Ca -0.13 -0.79 -0.21 0.00 -0.41 0.00 0.00 54.97 53.43 2kjz s GLU 31 Cb 0.13 -2.45 0.04 0.00 -1.78 0.00 0.00 34.13 30.07 2kjz s GLU 31 CO 0.81 0.58 0.47 -1.54 -0.49 0.00 0.00 175.26 175.09 2kjz s SER 32 N -1.59 -0.39 0.11 -0.19 1.04 -1.26 -0.85 113.70 110.57 2kjz s SER 32 Ca 0.18 0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 2kjz s SER 32 Cb -0.11 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2kjz s SER 32 CO 0.09 -0.60 0.03 -0.44 0.98 0.00 0.00 173.24 173.30 2kjz s SER 33 N -1.61 0.38 0.51 7.02 0.01 -0.03 -4.97 113.70 115.02 2kjz s SER 33 Ca -0.09 -1.15 0.21 0.00 1.31 0.00 0.00 55.95 56.23 2kjz s SER 33 Cb -0.02 0.27 1.32 0.00 0.21 0.00 0.00 66.02 67.79 2kjz s SER 33 CO 0.03 -0.69 2.03 1.55 0.41 0.00 0.00 173.24 176.57 2kjz h PRO 34 N 2.93 0.06 0.00 12.44 0.13 -2.03 -3.04 132.00 142.49 2kjz h PRO 34 Ca -0.35 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 2kjz h PRO 34 Cb 1.18 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 2kjz h PRO 34 CO 0.61 0.04 -0.41 -2.37 -0.23 0.00 0.00 178.00 175.63 2kjz n THR 35 N -4.43 0.99 -3.64 1.56 5.66 -1.26 -4.82 114.28 108.34 2kjz n THR 35 Ca 0.07 -1.44 -0.11 0.00 -3.05 0.00 0.00 64.05 59.52 2kjz n THR 35 Cb 0.45 0.21 -0.05 0.00 -1.55 0.00 0.00 70.33 69.39 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 -1.49 -0.21 0.04 1.09 5.36 -1.15 -3.21 117.98 118.40 2kjz s PHE 36 Ca 0.22 -0.06 -0.13 0.00 -0.96 0.00 0.00 56.93 56.00 2kjz s PHE 36 Cb 0.21 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 43.17 2kjz s PHE 36 CO -0.03 -0.68 0.29 -1.12 -1.46 0.00 0.00 175.22 172.21 2kjz s SER 37 N -2.69 -0.10 -0.14 6.13 0.01 -0.49 -0.85 113.70 115.56 2kjz s SER 37 Ca 0.02 -0.20 -0.06 0.00 1.31 0.00 0.00 55.95 57.02 2kjz s SER 37 Cb 0.02 0.34 0.07 0.00 0.21 0.00 0.00 66.02 66.65 2kjz s SER 37 CO -0.11 -0.59 0.31 -0.22 0.41 0.00 0.00 173.24 173.03 2kjz s LEU 38 N -2.02 -0.20 -0.06 2.44 1.98 -0.03 -1.09 118.68 119.71 2kjz s LEU 38 Ca -0.06 0.69 0.03 0.00 -2.89 0.00 0.00 54.13 51.90 2kjz s LEU 38 Cb -0.01 0.91 0.01 0.00 0.66 0.00 0.00 46.19 47.76 2kjz s LEU 38 CO -0.03 -0.22 -0.12 0.72 -1.89 0.00 0.00 176.35 174.81 2kjz s PHE 39 N 2.11 1.40 -0.18 5.38 -0.71 -0.58 -1.05 117.98 124.35 2kjz s PHE 39 Ca -0.03 -0.48 -0.04 0.00 -1.04 0.00 0.00 56.93 55.34 2kjz s PHE 39 Cb -0.11 -1.02 -0.02 0.00 -1.21 0.00 0.00 43.02 40.66 2kjz s PHE 39 CO -0.10 -0.23 -0.03 0.08 -1.34 0.00 0.00 175.22 173.60 2kjz s VAL 40 N 0.52 3.78 0.00 -2.49 1.01 -1.26 -1.62 120.40 120.34 2kjz s VAL 40 Ca -0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 2kjz s VAL 40 Cb -0.14 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 2kjz s VAL 40 CO 0.03 0.46 0.24 -0.76 0.00 0.00 0.00 175.10 175.07 2kjz s LEU 41 N 0.79 4.37 0.00 3.92 1.02 -0.81 -4.98 118.68 122.98 2kjz s LEU 41 Ca -0.01 0.49 0.10 0.00 0.02 0.00 0.00 54.13 54.73 2kjz s LEU 41 Cb -0.14 -2.66 0.51 0.00 0.02 0.00 0.00 46.19 43.92 2kjz s LEU 41 CO 0.02 0.25 1.21 0.00 0.02 0.00 0.00 176.35 177.85 2kjz n ALA 42 N 1.05 1.64 0.38 4.21 0.00 -1.26 -2.56 120.51 123.97 2kjz n ALA 42 Ca -0.11 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.33 2kjz n ALA 42 Cb 0.53 -1.16 0.23 0.00 0.00 0.00 0.00 19.45 19.04 2kjz n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kjz n ASN 43 N -1.28 0.00 0.00 0.00 5.03 -1.26 -4.84 115.26 112.91 2kjz n ASN 43 Ca 0.05 0.42 0.00 0.00 0.87 0.00 0.00 54.58 55.92 2kjz n ASN 43 Cb 0.08 -0.46 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 2kjz n ASN 43 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kjz n GLY 44 N -0.43 0.64 3.53 7.41 0.00 -1.06 -5.08 105.19 110.21 2kjz n GLY 44 Ca 0.03 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.95 1.80 -0.01 1.61 0.23 -1.22 -5.02 119.30 115.73 2kjz s MET 45 Ca 0.00 -1.91 0.03 0.00 -1.03 0.00 0.00 55.69 52.78 2kjz s MET 45 Cb 0.00 -1.72 -0.00 0.00 -1.53 0.00 0.00 34.83 31.58 2kjz s MET 45 CO 0.00 0.17 -0.10 0.21 -2.03 0.00 0.00 175.02 173.27 2kjz s LYS 46 N -3.60 0.88 -0.05 3.16 2.20 -0.61 -1.93 119.74 119.79 2kjz s LYS 46 Ca 0.32 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.57 2kjz s LYS 46 Cb 0.01 -0.84 0.03 0.00 -1.51 0.00 0.00 37.83 35.52 2kjz s LYS 46 CO 0.16 0.19 0.02 -1.17 -0.36 0.00 0.00 175.35 174.19 2kjz s LEU 47 N -0.12 0.62 0.42 5.43 0.20 -0.64 -1.60 118.68 122.99 2kjz s LEU 47 Ca 0.02 -0.03 0.08 0.00 0.69 0.00 0.00 54.13 54.89 2kjz s LEU 47 Cb -0.05 -0.31 -0.00 0.00 -0.43 0.00 0.00 46.19 45.40 2kjz s LEU 47 CO -0.00 -0.18 0.49 -0.83 -0.29 0.00 0.00 176.35 175.54 2kjz s GLY 48 N 1.77 2.03 -0.19 7.98 0.00 -0.40 -1.53 107.32 116.99 2kjz s GLY 48 Ca 0.01 -1.77 -0.05 0.00 0.00 0.00 0.00 44.72 42.92 2kjz s GLY 48 CO -0.04 -1.58 0.14 -2.27 0.00 0.00 0.00 173.10 169.35 2kjz s LEU 49 N -4.26 0.20 -0.17 0.66 2.96 -0.25 -2.08 118.68 115.74 2kjz s LEU 49 Ca 0.52 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2kjz s LEU 49 Cb -0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.56 2kjz s LEU 49 CO 0.31 -0.35 -0.03 0.86 -1.32 0.00 0.00 176.35 175.82 2kjz s TRP 50 N 2.20 3.02 -0.16 5.38 -0.11 -1.00 -1.40 118.94 126.87 2kjz s TRP 50 Ca 0.04 -0.40 -0.29 0.00 1.22 0.00 0.00 56.10 56.67 2kjz s TRP 50 Cb -0.16 -2.00 -0.00 0.00 -1.50 0.00 0.00 33.47 29.81 2kjz s TRP 50 CO -0.11 -0.13 1.04 -1.12 -4.62 0.00 0.00 176.95 172.01 2kjz s SER 51 N 0.62 7.16 0.33 5.86 0.01 -1.20 -1.69 113.70 124.80 2kjz s SER 51 Ca -0.02 1.49 0.26 0.00 1.31 0.00 0.00 55.95 58.98 2kjz s SER 51 Cb -0.14 -2.55 1.10 0.00 0.21 0.00 0.00 66.02 64.64 2kjz s SER 51 CO 0.02 -0.56 1.78 0.08 0.41 0.00 0.00 173.24 174.97 2kjz h ARG 52 N 7.31 0.00 0.00 12.44 0.11 -0.99 -2.40 114.38 130.85 2kjz h ARG 52 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2kjz h ARG 52 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2kjz h ARG 52 CO 0.91 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.59 2kjz n HIS 53 N -2.43 0.00 -0.76 4.08 1.44 -1.26 -3.10 115.22 113.19 2kjz n HIS 53 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2kjz n HIS 53 Cb 0.23 -0.44 0.00 0.00 0.12 0.00 0.00 29.99 29.90 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 -1.44 0.16 -1.88 0.61 5.66 -0.92 -5.08 114.28 111.38 2kjz n THR 54 Ca 0.05 -0.20 -0.37 0.00 -3.05 0.00 0.00 64.05 60.48 2kjz n THR 54 Cb 0.19 1.20 0.04 0.00 -1.55 0.00 0.00 70.33 70.21 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 -0.16 2.32 -0.21 1.08 0.11 -1.12 -4.94 120.40 117.48 2kjz s VAL 55 Ca 0.00 0.22 0.01 0.00 -2.93 0.00 0.00 61.98 59.28 2kjz s VAL 55 Cb 0.00 -3.10 0.04 0.00 -1.53 0.00 0.00 36.38 31.80 2kjz s VAL 55 CO 0.00 -0.03 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.02 2kjz s GLU 56 N -3.17 2.16 0.37 1.54 2.02 -1.26 -1.73 118.70 118.63 2kjz s GLU 56 Ca 0.76 -0.96 -0.25 0.00 0.02 0.00 0.00 54.97 54.54 2kjz s GLU 56 Cb -0.35 -2.55 -0.09 0.00 0.10 0.00 0.00 34.13 31.23 2kjz s GLU 56 CO 0.39 -0.45 1.03 -1.25 0.02 0.00 0.00 175.26 175.01 2kjz s PRO 57 N 1.32 4.33 0.09 0.39 0.04 -1.26 -5.12 135.00 134.79 2kjz s PRO 57 Ca -0.03 1.49 -0.35 0.00 0.04 0.00 0.00 61.00 62.16 2kjz s PRO 57 Cb -0.17 -2.68 -0.15 0.00 0.04 0.00 0.00 34.50 31.55 2kjz s PRO 57 CO -0.08 0.01 1.55 1.63 0.04 0.00 0.00 177.00 180.16 2kjz n LYS 58 N 0.23 1.81 -3.66 4.56 4.76 -0.70 -5.01 118.16 120.15 2kjz n LYS 58 Ca 0.04 0.65 -0.10 0.00 -2.87 0.00 0.00 58.31 56.03 2kjz n LYS 58 Cb 0.49 -2.39 -0.10 0.00 -1.84 0.00 0.00 35.03 31.19 2kjz n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kjz s ALA 59 N 1.30 -1.01 -1.00 7.82 0.00 -1.26 -5.08 121.76 122.54 2kjz s ALA 59 Ca 0.83 1.38 -0.16 0.00 0.00 0.00 0.00 51.96 54.00 2kjz s ALA 59 Cb -0.78 -1.21 0.16 0.00 0.00 0.00 0.00 23.12 21.29 2kjz s ALA 59 CO 0.44 -0.68 1.17 -1.54 0.00 0.00 0.00 175.76 175.15 2kjz s SER 60 N 2.43 6.80 -0.13 0.00 1.04 -1.26 -4.81 113.70 117.77 2kjz s SER 60 Ca -0.02 -2.45 -0.05 0.00 0.48 0.00 0.00 55.95 53.91 2kjz s SER 60 Cb -0.12 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.69 2kjz s SER 60 CO -0.12 -0.88 0.27 0.54 0.98 0.00 0.00 173.24 174.03 2kjz s VAL 61 N 1.90 -0.25 -0.19 5.02 0.11 -1.26 -5.14 120.40 120.59 2kjz s VAL 61 Ca 0.34 0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 59.52 2kjz s VAL 61 Cb -0.05 -0.44 0.08 0.00 -1.53 0.00 0.00 36.38 34.44 2kjz s VAL 61 CO -0.07 0.09 0.43 0.42 -3.33 0.00 0.00 175.10 172.64 2kjz s THR 62 N 1.90 -0.42 0.00 5.04 -4.23 -1.26 -5.03 115.64 111.64 2kjz s THR 62 Ca -0.04 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2kjz s THR 62 Cb -0.11 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 73.07 2kjz s THR 62 CO -0.09 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 2kjz n GLY 63 N 4.98 -1.80 4.32 3.99 0.00 -1.10 -4.95 105.19 110.63 2kjz n GLY 63 Ca -0.14 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 2.20 7.00 -0.02 0.00 -0.54 -4.97 105.19 108.85 2kjz n GLY 64 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 1.86 3.75 -0.02 0.00 -1.26 -2.27 105.19 107.25 2kjz n GLY 65 Ca 0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.97 2.54 0.12 -0.02 0.00 -1.26 -4.75 107.32 102.98 2kjz s GLY 66 Ca 0.00 0.88 0.02 0.00 0.00 0.00 0.00 44.72 45.63 2kjz s GLY 66 CO 0.00 1.26 0.20 -0.54 0.00 0.00 0.00 173.10 174.02 2kjz s GLU 67 N -3.58 3.23 -0.33 2.90 2.02 -1.26 -3.93 118.70 117.75 2kjz s GLU 67 Ca 0.74 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 55.13 2kjz s GLU 67 Cb -0.28 -2.88 0.09 0.00 0.10 0.00 0.00 34.13 31.17 2kjz s GLU 67 CO 0.36 0.54 0.04 -1.17 0.02 0.00 0.00 175.26 175.06 2kjz s LEU 68 N -2.89 4.56 -0.34 1.80 2.96 -0.13 -4.99 118.68 119.66 2kjz s LEU 68 Ca 0.33 -1.97 -0.22 0.00 -0.22 0.00 0.00 54.13 52.06 2kjz s LEU 68 Cb -0.11 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.93 2kjz s LEU 68 CO 0.26 -0.36 0.70 0.00 -1.32 0.00 0.00 176.35 175.63 2kjz s ALA 69 N 0.98 3.48 -0.45 5.97 0.00 -1.26 -1.11 121.76 129.36 2kjz s ALA 69 Ca 0.06 -0.68 -0.18 0.00 0.00 0.00 0.00 51.96 51.16 2kjz s ALA 69 Cb -0.20 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.73 2kjz s ALA 69 CO -0.07 -1.29 0.53 -0.06 0.00 0.00 0.00 175.76 174.87 2kjz s PHE 70 N 2.83 3.12 -0.15 0.00 0.40 0.32 -4.96 117.98 119.55 2kjz s PHE 70 Ca 0.28 -0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 56.02 2kjz s PHE 70 Cb -0.14 -3.19 -0.04 0.00 0.51 0.00 0.00 43.02 40.16 2kjz s PHE 70 CO 0.14 -0.84 0.47 1.03 0.70 0.00 0.00 175.22 176.72 2kjz s ARG 71 N 2.37 4.28 0.20 0.44 0.52 -1.26 -2.22 118.95 123.28 2kjz s ARG 71 Ca 0.14 0.39 0.06 0.00 -0.52 0.00 0.00 55.73 55.80 2kjz s ARG 71 Cb -0.18 -3.48 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 2kjz s ARG 71 CO 0.13 0.07 -0.11 0.14 0.02 0.00 0.00 175.30 175.55 2kjz s VAL 72 N 0.93 1.49 0.28 3.52 -7.23 -1.20 -5.02 120.40 113.17 2kjz s VAL 72 Ca 0.24 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2kjz s VAL 72 Cb -0.15 -2.05 0.08 0.00 0.56 0.00 0.00 36.38 34.82 2kjz s VAL 72 CO 0.09 -0.59 1.73 1.05 -0.31 0.00 0.00 175.10 177.07 2kjz h GLU 73 N 2.59 0.55 -2.71 4.82 4.11 -1.97 -3.40 114.58 118.57 2kjz h GLU 73 Ca -0.38 -0.19 0.09 0.00 0.07 0.00 0.00 59.36 58.95 2kjz h GLU 73 Cb 1.21 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2kjz h GLU 73 CO 0.63 0.72 0.46 0.54 0.07 0.00 0.00 179.01 181.43 2kjz s ASN 74 N -6.78 -0.00 0.48 3.06 2.20 -1.26 -4.78 114.94 107.86 2kjz s ASN 74 Ca -0.07 -0.85 0.18 0.00 -0.94 0.00 0.00 52.86 51.18 2kjz s ASN 74 Cb 0.14 0.64 1.19 0.00 -2.00 0.00 0.00 41.25 41.21 2kjz s ASN 74 CO 0.80 -1.26 2.00 -2.24 -2.94 0.00 0.00 177.10 173.46 2kjz h ASP 75 N 2.00 0.20 -0.25 3.54 2.03 -1.91 -1.64 116.42 120.38 2kjz h ASP 75 Ca -0.29 0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.00 2kjz h ASP 75 Cb 1.23 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 2kjz h ASP 75 CO 0.37 0.12 0.10 0.00 -1.03 0.00 0.00 179.24 178.80 2kjz h ALA 76 N 1.75 0.33 0.00 4.15 0.00 -1.99 -2.83 119.26 120.65 2kjz h ALA 76 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2kjz h ALA 76 Cb 0.65 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kjz h ALA 76 CO -0.04 -0.08 -0.12 1.96 0.00 0.00 0.00 179.25 180.97 2kjz h GLN 77 N 0.26 0.00 -0.49 0.00 1.08 -1.72 -1.38 115.11 112.85 2kjz h GLN 77 Ca 0.08 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.20 2kjz h GLN 77 Cb 0.18 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2kjz h GLN 77 CO -0.01 0.12 -0.04 0.28 -0.95 0.00 0.00 178.83 178.24 2kjz h VAL 78 N 0.00 1.27 -0.06 -0.54 2.07 -1.39 -2.57 116.25 115.02 2kjz h VAL 78 Ca -0.00 -1.14 -0.17 0.00 0.82 0.00 0.00 66.70 66.21 2kjz h VAL 78 Cb 0.49 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2kjz h VAL 78 CO 0.02 0.40 -0.70 -0.78 0.02 0.00 0.00 177.57 176.52 2kjz h ASP 79 N 0.75 0.37 -0.34 0.57 3.58 -1.11 -0.68 116.42 119.56 2kjz h ASP 79 Ca 0.13 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.30 2kjz h ASP 79 Cb 0.57 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2kjz h ASP 79 CO 0.03 0.95 0.02 -0.33 -2.88 0.00 0.00 179.24 177.03 2kjz h GLU 80 N 0.21 0.58 -0.60 0.28 5.08 -1.31 -2.52 114.58 116.31 2kjz h GLU 80 Ca -0.02 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2kjz h GLU 80 Cb 1.26 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2kjz h GLU 80 CO 0.11 0.70 0.18 1.15 -1.00 0.00 0.00 179.01 180.15 2kjz h THR 81 N 0.40 1.23 0.45 1.13 2.02 -1.37 -2.21 112.91 114.55 2kjz h THR 81 Ca 0.10 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2kjz h THR 81 Cb 0.42 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2kjz h THR 81 CO 0.01 0.31 -0.44 0.15 0.37 0.00 0.00 175.52 175.92 2kjz h PHE 82 N 0.88 -1.20 -0.12 3.16 3.04 -0.90 -2.28 116.94 119.51 2kjz h PHE 82 Ca 0.20 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.05 2kjz h PHE 82 Cb 0.26 0.47 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 2kjz h PHE 82 CO 0.02 -0.58 -0.40 0.00 -2.02 0.00 0.00 178.31 175.33 2kjz h ALA 83 N -1.04 1.10 -0.27 2.41 0.00 -1.45 -1.40 119.26 118.61 2kjz h ALA 83 Ca -0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2kjz h ALA 83 Cb 0.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2kjz h ALA 83 CO -0.05 0.58 0.08 0.78 0.00 0.00 0.00 179.25 180.64 2kjz h GLY 84 N 1.19 0.45 0.98 0.00 0.00 -1.39 -0.98 103.07 103.32 2kjz h GLY 84 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2kjz h GLY 84 CO 0.06 0.26 0.25 1.49 0.00 0.00 0.00 176.54 178.60 2kjz h TRP 85 N 0.27 0.77 -0.55 5.60 6.55 -1.22 -1.80 115.95 125.58 2kjz h TRP 85 Ca 0.09 -0.04 0.06 0.00 0.95 0.00 0.00 58.89 59.95 2kjz h TRP 85 Cb 0.26 -0.24 -0.06 0.00 -0.86 0.00 0.00 29.16 28.26 2kjz h TRP 85 CO 0.01 0.61 0.24 -0.22 -1.05 0.00 0.00 178.44 178.03 2kjz h LYS 86 N 0.71 0.45 0.00 0.49 3.64 -1.12 -0.36 116.57 120.38 2kjz h LYS 86 Ca 0.18 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2kjz h LYS 86 Cb 0.13 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2kjz h LYS 86 CO -0.02 0.30 -0.05 0.00 -2.27 0.00 0.00 179.45 177.41 2kjz h ALA 87 N 1.33 1.00 -0.32 5.00 0.00 -1.00 -2.72 119.26 122.55 2kjz h ALA 87 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2kjz h ALA 87 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kjz h ALA 87 CO -0.22 0.06 0.00 0.45 0.00 0.00 0.00 179.25 179.54 2kjz n SER 88 N -3.14 3.35 -0.65 0.00 2.88 -0.68 -4.99 113.62 110.38 2kjz n SER 88 Ca 0.01 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 2kjz n SER 88 Cb 0.37 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2kjz n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kjz n GLY 89 N 1.44 0.60 3.91 0.46 0.00 -0.23 -5.04 105.19 106.33 2kjz n GLY 89 Ca 0.18 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.27 5.12 -0.02 1.61 0.11 -0.78 -4.69 120.40 119.47 2kjz s VAL 90 Ca 0.00 -0.09 -0.23 0.00 -2.93 0.00 0.00 61.98 58.73 2kjz s VAL 90 Cb 0.00 -3.70 -0.17 0.00 -1.53 0.00 0.00 36.38 30.99 2kjz s VAL 90 CO 0.00 -0.16 1.06 0.00 -3.33 0.00 0.00 175.10 172.67 2kjz h ALA 91 N 2.14 -0.27 -4.72 1.54 0.00 -1.04 -3.45 119.26 113.46 2kjz h ALA 91 Ca -0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kjz h ALA 91 Cb 1.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kjz h ALA 91 CO 0.69 -0.40 -0.53 -0.12 0.00 0.00 0.00 179.25 178.89 2kjz n MET 92 N -4.99 -2.19 -3.88 0.00 0.00 -1.20 -4.88 117.12 99.98 2kjz n MET 92 Ca -0.08 1.96 -0.29 0.00 0.00 0.00 0.00 57.70 59.28 2kjz n MET 92 Cb 0.26 -4.62 -0.12 0.00 0.00 0.00 0.00 33.22 28.74 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 4.81 0.00 -0.89 -0.00 -1.26 -4.91 118.68 114.56 2kjz s LEU 93 Ca 0.12 -3.65 0.00 0.00 -0.00 0.00 0.00 54.13 50.60 2kjz s LEU 93 Cb -0.03 -1.67 0.00 0.00 -0.00 0.00 0.00 46.19 44.48 2kjz s LEU 93 CO 0.60 -0.13 0.00 1.67 -0.00 0.00 0.00 176.35 178.49 2kjz n GLN 94 N 2.28 0.00 -2.78 1.48 -0.06 -1.23 -4.86 117.38 112.20 2kjz n GLN 94 Ca 0.16 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.74 2kjz n GLN 94 Cb 0.35 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.49 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 -0.05 4.33 -0.51 3.69 -0.21 -1.26 -4.62 119.66 121.05 2kjz s GLN 95 Ca 0.00 1.20 -0.35 0.00 0.02 0.00 0.00 55.36 56.23 2kjz s GLN 95 Cb 0.00 -3.57 -0.14 0.00 1.00 0.00 0.00 33.01 30.30 2kjz s GLN 95 CO 0.00 -0.37 2.30 -2.30 -2.12 0.00 0.00 175.29 172.80 2kjz n PRO 96 N 5.33 0.69 -5.19 2.91 -0.02 -1.26 -4.88 135.00 132.58 2kjz n PRO 96 Ca 0.07 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.39 2kjz n PRO 96 Cb 0.48 -2.24 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 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 7.98 2.30 -0.61 3.55 0.00 -0.21 -4.89 121.76 129.87 2kjz s ALA 97 Ca 1.15 -1.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 2kjz s ALA 97 Cb -0.96 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2kjz s ALA 97 CO 0.49 0.54 1.80 0.15 0.00 0.00 0.00 175.76 178.74 2kjz s LYS 98 N -0.65 2.73 0.41 0.00 -0.14 -1.26 -1.38 119.74 119.44 2kjz s LYS 98 Ca 0.10 0.57 0.08 0.00 -1.36 0.00 0.00 55.97 55.36 2kjz s LYS 98 Cb -0.10 -4.35 0.00 0.00 -1.68 0.00 0.00 37.83 31.70 2kjz s LYS 98 CO -0.01 -2.62 0.52 1.41 -0.76 0.00 0.00 175.35 173.89 2kjz s MET 99 N 6.82 2.80 0.29 1.68 -2.45 -0.42 -4.97 119.30 123.06 2kjz s MET 99 Ca 0.65 -1.27 0.04 0.00 -1.25 0.00 0.00 55.69 53.85 2kjz s MET 99 Cb -0.13 -2.69 0.69 0.00 1.25 0.00 0.00 34.83 33.96 2kjz s MET 99 CO 0.21 -0.21 1.74 0.93 1.05 0.00 0.00 175.02 178.73 2kjz h GLU 100 N 0.75 0.57 0.00 4.11 5.08 -2.02 -1.54 114.58 121.52 2kjz h GLU 100 Ca -0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2kjz h GLU 100 Cb 1.27 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2kjz h GLU 100 CO 0.48 0.37 0.00 1.19 -1.00 0.00 0.00 179.01 180.06 2kjz n PHE 101 N -4.90 0.41 0.00 4.33 3.72 -1.26 -4.94 117.46 114.82 2kjz n PHE 101 Ca 0.22 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.74 2kjz n PHE 101 Cb 0.58 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 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 1.28 0.87 3.55 1.37 0.00 -0.58 -4.44 105.19 107.24 2kjz n GLY 102 Ca 0.06 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 2kjz n GLY 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kjz s TYR 103 N -1.32 2.14 0.07 1.61 5.04 -0.09 -1.31 117.35 123.50 2kjz s TYR 103 Ca 0.00 0.23 0.06 0.00 -2.44 0.00 0.00 57.07 54.92 2kjz s TYR 103 Cb 0.00 -4.47 -0.04 0.00 0.35 0.00 0.00 41.96 37.80 2kjz s TYR 103 CO 0.00 -2.11 -0.12 -0.08 -1.34 0.00 0.00 175.55 171.91 2kjz s THR 104 N 6.54 3.26 -0.02 4.34 -1.32 -0.48 -0.49 115.64 127.48 2kjz s THR 104 Ca 0.45 -1.15 -0.01 0.00 -1.21 0.00 0.00 61.69 59.77 2kjz s THR 104 Cb -0.09 -2.47 0.02 0.00 -1.51 0.00 0.00 72.50 68.45 2kjz s THR 104 CO 0.18 0.23 0.04 0.12 -2.21 0.00 0.00 174.62 172.98 2kjz s PHE 105 N -1.09 -0.02 -0.19 9.09 5.36 0.10 -1.05 117.98 130.18 2kjz s PHE 105 Ca 0.19 0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.32 2kjz s PHE 105 Cb -0.11 -0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.48 2kjz s PHE 105 CO 0.10 -0.07 -0.18 0.99 -1.46 0.00 0.00 175.22 174.60 2kjz s THR 106 N 0.64 2.05 0.41 0.12 2.01 -1.26 -0.76 115.64 118.86 2kjz s THR 106 Ca -0.05 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 60.98 2kjz s THR 106 Cb -0.07 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 2kjz s THR 106 CO -0.02 0.44 0.40 0.00 -0.69 0.00 0.00 174.62 174.74 2kjz s ALA 107 N 1.27 4.10 -0.04 7.40 0.00 -0.37 -3.57 121.76 130.54 2kjz s ALA 107 Ca 0.03 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.14 2kjz s ALA 107 Cb -0.14 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.91 2kjz s ALA 107 CO -0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 175.76 175.41 2kjz s ALA 108 N -2.45 0.55 1.16 0.00 0.00 -1.26 -1.43 121.76 118.33 2kjz s ALA 108 Ca 0.48 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.33 2kjz s ALA 108 Cb -0.04 -0.45 0.28 0.00 0.00 0.00 0.00 23.12 22.91 2kjz s ALA 108 CO 0.28 -0.13 1.03 -0.51 0.00 0.00 0.00 175.76 176.44 2kjz s ASP 109 N 1.17 1.01 0.50 0.00 1.11 -1.26 -0.53 116.67 118.66 2kjz s ASP 109 Ca -0.07 1.48 0.30 0.00 0.18 0.00 0.00 52.55 54.43 2kjz s ASP 109 Cb -0.14 -2.26 1.40 0.00 1.07 0.00 0.00 42.92 42.99 2kjz s ASP 109 CO -0.02 -4.18 1.83 -0.65 1.18 0.00 0.00 175.17 173.33 2kjz h PRO 110 N -2.61 0.11 -0.10 8.23 0.11 -1.95 -1.01 132.00 134.78 2kjz h PRO 110 Ca -0.62 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.49 2kjz h PRO 110 Cb 1.34 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2kjz h PRO 110 CO 0.51 0.08 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 2kjz n ASP 111 N -4.33 1.11 -2.82 -2.05 9.92 -1.26 -4.99 116.55 112.13 2kjz n ASP 111 Ca 0.23 -1.60 -0.05 0.00 -0.53 0.00 0.00 54.79 52.84 2kjz n ASP 111 Cb 1.04 -0.07 0.01 0.00 -0.64 0.00 0.00 41.12 41.46 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 -0.05 -7.94 -4.58 -2.24 7.64 -0.38 -4.40 113.62 101.67 2kjz n SER 112 Ca 0.16 0.89 -0.30 0.00 1.01 0.00 0.00 58.87 60.63 2kjz n SER 112 Cb 0.24 -5.26 -0.08 0.00 -1.01 0.00 0.00 64.21 58.10 2kjz n SER 112 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kjz s HIS 113 N -2.17 1.95 -0.38 1.43 3.76 -1.26 -1.47 115.29 117.16 2kjz s HIS 113 Ca 0.15 -0.99 -0.14 0.00 -0.15 0.00 0.00 55.06 53.93 2kjz s HIS 113 Cb -0.04 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.14 2kjz s HIS 113 CO 0.77 0.13 0.27 1.03 -0.85 0.00 0.00 174.74 176.09 2kjz s ARG 114 N -3.82 3.20 -0.42 1.40 1.81 -0.96 -4.03 118.95 116.13 2kjz s ARG 114 Ca 0.16 -0.85 -0.04 0.00 -1.72 0.00 0.00 55.73 53.27 2kjz s ARG 114 Cb 0.03 -3.88 0.11 0.00 -0.45 0.00 0.00 34.95 30.76 2kjz s ARG 114 CO 0.08 -0.61 0.23 -0.51 -0.68 0.00 0.00 175.30 173.82 2kjz s LEU 115 N 1.69 5.31 -0.74 2.53 1.43 -0.52 -0.96 118.68 127.43 2kjz s LEU 115 Ca 0.05 -1.98 -0.15 0.00 -1.03 0.00 0.00 54.13 51.02 2kjz s LEU 115 Cb -0.18 -1.87 0.19 0.00 0.03 0.00 0.00 46.19 44.36 2kjz s LEU 115 CO 0.10 -0.57 0.70 -0.60 0.23 0.00 0.00 176.35 176.21 2kjz s ARG 116 N 1.19 3.40 -0.33 1.70 3.52 -0.27 -1.24 118.95 126.93 2kjz s ARG 116 Ca 0.07 -2.18 -0.19 0.00 -0.13 0.00 0.00 55.73 53.30 2kjz s ARG 116 Cb -0.23 -4.40 -0.01 0.00 -1.56 0.00 0.00 34.95 28.75 2kjz s ARG 116 CO -0.03 -1.33 0.55 0.54 -0.81 0.00 0.00 175.30 174.22 2kjz s VAL 117 N 0.75 4.99 0.34 7.11 0.11 0.06 -0.52 120.40 133.24 2kjz s VAL 117 Ca 0.14 0.56 0.05 0.00 -2.93 0.00 0.00 61.98 59.80 2kjz s VAL 117 Cb -0.16 -3.96 -0.07 0.00 -1.53 0.00 0.00 36.38 30.66 2kjz s VAL 117 CO -0.05 -0.16 0.01 -0.72 -3.33 0.00 0.00 175.10 170.85 2kjz s TYR 118 N 2.46 2.12 -0.20 1.54 1.13 -0.94 -0.72 117.35 122.74 2kjz s TYR 118 Ca 0.21 -0.80 -0.00 0.00 -1.41 0.00 0.00 57.07 55.06 2kjz s TYR 118 Cb -0.15 -1.37 0.05 0.00 -1.10 0.00 0.00 41.96 39.39 2kjz s TYR 118 CO 0.13 0.21 -0.03 0.00 -2.51 0.00 0.00 175.55 173.34 2kjz s ALA 119 N -3.05 1.57 -0.37 9.51 0.00 0.36 -3.25 121.76 126.53 2kjz s ALA 119 Ca 0.34 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 2kjz s ALA 119 Cb 0.08 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.96 2kjz s ALA 119 CO 0.15 -1.03 1.11 0.12 0.00 0.00 0.00 175.76 176.11 2kjz s PHE 120 N 1.58 3.02 -0.86 0.00 5.36 -1.26 -0.91 117.98 124.91 2kjz s PHE 120 Ca -0.02 1.03 -0.25 0.00 -0.96 0.00 0.00 56.93 56.73 2kjz s PHE 120 Cb -0.17 -3.93 0.05 0.00 -0.34 0.00 0.00 43.02 38.62 2kjz s PHE 120 CO -0.07 -0.97 1.33 0.00 -1.46 0.00 0.00 175.22 174.04 2kjz s ALA 121 N 3.94 2.78 0.00 11.12 0.00 -1.26 -4.96 121.76 133.38 2kjz s ALA 121 Ca 0.47 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2kjz s ALA 121 Cb -0.11 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2kjz s ALA 121 CO 0.21 -3.39 0.23 0.41 0.00 0.00 0.00 175.76 173.22