#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 4.60 -0.42 3.17 2.01 -1.26 -5.06 115.64 118.69 2kjz s THR 2 Ca 0.00 1.19 -0.13 0.00 0.31 0.00 0.00 61.69 63.06 2kjz s THR 2 Cb 0.00 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.76 2kjz s THR 2 CO 0.00 0.12 0.30 -1.00 -0.69 0.00 0.00 174.62 173.34 2kjz s HIS 3 N -1.63 3.26 -1.01 4.92 0.09 -1.26 -4.99 115.29 114.67 2kjz s HIS 3 Ca 0.45 -0.96 -0.05 0.00 -0.00 0.00 0.00 55.06 54.51 2kjz s HIS 3 Cb -0.15 -2.79 0.10 0.00 -0.00 0.00 0.00 32.58 29.74 2kjz s HIS 3 CO 0.20 -0.71 2.53 -0.35 -0.00 0.00 0.00 174.74 176.40 2kjz n PRO 4 N 5.09 3.83 0.00 8.40 -0.04 -1.26 -4.67 135.00 146.34 2kjz n PRO 4 Ca -0.11 -3.07 0.09 0.00 -0.04 0.00 0.00 63.50 60.37 2kjz n PRO 4 Cb 0.45 -2.46 0.52 0.00 -0.04 0.00 0.00 33.50 31.97 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 1.42 0.00 -4.08 3.54 5.75 -1.26 -4.66 116.55 117.27 2kjz n ASP 5 Ca 0.58 -1.29 -0.29 0.00 -0.01 0.00 0.00 54.79 53.77 2kjz n ASP 5 Cb 0.36 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.28 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 -2.00 2.11 -0.04 2.11 5.36 -1.26 -2.18 117.98 122.08 2kjz s PHE 6 Ca 0.26 -1.02 0.07 0.00 -0.96 0.00 0.00 56.93 55.28 2kjz s PHE 6 Cb 0.12 -1.50 -0.01 0.00 -0.34 0.00 0.00 43.02 41.28 2kjz s PHE 6 CO 0.20 -0.51 -0.25 -0.08 -1.46 0.00 0.00 175.22 173.12 2kjz s THR 7 N 0.98 2.05 -0.08 0.12 -1.32 -0.67 -5.01 115.64 111.71 2kjz s THR 7 Ca -0.06 -1.08 0.03 0.00 -1.21 0.00 0.00 61.69 59.37 2kjz s THR 7 Cb -0.15 -1.72 -0.02 0.00 -1.51 0.00 0.00 72.50 69.10 2kjz s THR 7 CO -0.02 0.57 -0.18 -0.63 -2.21 0.00 0.00 174.62 172.16 2kjz s ILE 8 N -0.35 2.71 0.35 5.08 1.01 -1.26 -1.00 121.20 127.75 2kjz s ILE 8 Ca 0.02 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 2kjz s ILE 8 Cb -0.12 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 2kjz s ILE 8 CO 0.02 0.56 0.64 -0.76 0.00 0.00 0.00 174.94 175.40 2kjz s LEU 9 N -0.18 3.93 -0.35 2.97 2.01 -0.87 -4.91 118.68 121.28 2kjz s LEU 9 Ca -0.01 0.80 -0.06 0.00 0.01 0.00 0.00 54.13 54.87 2kjz s LEU 9 Cb -0.13 -3.66 0.05 0.00 0.01 0.00 0.00 46.19 42.45 2kjz s LEU 9 CO 0.03 -0.32 0.12 -0.47 1.01 0.00 0.00 176.35 176.73 2kjz s TYR 10 N -2.29 3.30 0.22 0.29 5.04 -1.26 -1.81 117.35 120.84 2kjz s TYR 10 Ca 0.46 -1.58 0.09 0.00 -2.44 0.00 0.00 57.07 53.60 2kjz s TYR 10 Cb -0.10 -2.44 -0.05 0.00 0.35 0.00 0.00 41.96 39.72 2kjz s TYR 10 CO 0.34 -0.78 -0.16 0.14 -1.34 0.00 0.00 175.55 173.75 2kjz s VAL 11 N 1.37 1.90 -0.12 3.14 -7.23 -0.88 -4.84 120.40 113.73 2kjz s VAL 11 Ca -0.01 -2.25 -0.11 0.00 -1.81 0.00 0.00 61.98 57.80 2kjz s VAL 11 Cb -0.20 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2kjz s VAL 11 CO 0.02 -0.55 -0.22 -0.67 -0.31 0.00 0.00 175.10 173.37 2kjz n ASP 12 N -0.41 1.39 -4.50 4.85 2.03 -1.26 -1.26 116.55 117.39 2kjz n ASP 12 Ca -0.07 0.32 -0.43 0.00 0.52 0.00 0.00 54.79 55.12 2kjz n ASP 12 Cb 0.60 -0.70 -0.05 0.00 -0.72 0.00 0.00 41.12 40.25 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 -5.33 6.31 0.08 1.67 0.01 -1.26 -4.72 114.94 111.70 2kjz s ASN 13 Ca -0.18 -0.48 -0.36 0.00 -0.71 0.00 0.00 52.86 51.12 2kjz s ASN 13 Cb 0.03 -2.38 -0.18 0.00 0.41 0.00 0.00 41.25 39.13 2kjz s ASN 13 CO 0.27 -1.06 1.57 -0.65 -1.51 0.00 0.00 177.10 175.72 2kjz h PRO 14 N 9.15 -1.06 -0.08 -0.60 0.11 -1.91 -2.51 132.00 135.10 2kjz h PRO 14 Ca -0.26 0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.94 2kjz h PRO 14 Cb 1.08 0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 2kjz h PRO 14 CO 1.02 -0.71 -0.06 -1.00 -0.21 0.00 0.00 178.00 177.04 2kjz h PRO 15 N -1.10 -0.07 -0.45 1.05 0.13 -1.95 -1.57 132.00 128.04 2kjz h PRO 15 Ca -0.08 0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2kjz h PRO 15 Cb 0.91 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 2kjz h PRO 15 CO 0.02 -0.05 0.04 0.00 -0.23 0.00 0.00 178.00 177.78 2kjz h ALA 16 N 0.99 0.60 0.00 -0.56 0.00 -2.01 -2.37 119.26 115.92 2kjz h ALA 16 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kjz h ALA 16 Cb 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kjz h ALA 16 CO -0.12 0.36 -0.07 1.03 0.00 0.00 0.00 179.25 180.45 2kjz h SER 17 N 0.62 0.00 0.01 0.00 0.87 -1.38 -2.48 113.55 111.20 2kjz h SER 17 Ca 0.13 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 2kjz h SER 17 Cb 0.43 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2kjz h SER 17 CO 0.01 0.07 -0.50 0.74 -0.53 0.00 0.00 176.83 176.63 2kjz h THR 18 N 0.00 1.49 -0.01 2.23 2.02 -0.79 -2.82 112.91 115.02 2kjz h THR 18 Ca -0.00 -2.10 -0.09 0.00 0.77 0.00 0.00 66.41 64.99 2kjz h THR 18 Cb 0.99 2.74 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 2kjz h THR 18 CO 0.01 0.59 -0.43 1.56 0.37 0.00 0.00 175.52 177.63 2kjz h GLN 19 N -0.28 0.02 0.12 6.66 1.08 -1.52 -2.16 115.11 119.03 2kjz h GLN 19 Ca -0.07 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2kjz h GLN 19 Cb 1.24 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2kjz h GLN 19 CO 0.10 0.44 -0.06 0.35 -0.95 0.00 0.00 178.83 178.71 2kjz h PHE 20 N 0.02 -0.15 0.00 2.96 3.57 -1.42 -2.72 116.94 119.19 2kjz h PHE 20 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 2kjz h PHE 20 Cb 0.76 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2kjz h PHE 20 CO 0.00 -0.06 -0.44 1.88 -2.23 0.00 0.00 178.31 177.46 2kjz h TYR 21 N -0.21 0.00 -0.12 0.41 -1.99 -1.40 -2.05 116.97 111.61 2kjz h TYR 21 Ca -0.02 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.75 2kjz h TYR 21 Cb 0.16 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.86 2kjz h TYR 21 CO -0.06 0.44 -0.09 0.87 -0.00 0.00 0.00 178.16 179.33 2kjz h LYS 22 N 0.00 -0.09 0.04 4.88 1.57 -1.13 -1.57 116.57 120.27 2kjz h LYS 22 Ca -0.00 0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 2kjz h LYS 22 Cb 0.91 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2kjz h LYS 22 CO 0.06 -0.06 -1.03 0.00 -0.57 0.00 0.00 179.45 177.85 2kjz h ALA 23 N 1.01 0.29 -0.60 3.86 0.00 -1.52 0.15 119.26 122.45 2kjz h ALA 23 Ca 0.08 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kjz h ALA 23 Cb 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2kjz h ALA 23 CO -0.18 0.85 0.36 1.25 0.00 0.00 0.00 179.25 181.54 2kjz h LEU 24 N 0.19 0.73 0.03 0.00 5.85 -1.20 -3.14 115.31 117.76 2kjz h LEU 24 Ca -0.10 -0.06 -0.36 0.00 0.84 0.00 0.00 57.88 58.21 2kjz h LEU 24 Cb 1.69 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.48 2kjz h LEU 24 CO 0.18 0.58 -2.16 0.18 -0.34 0.00 0.00 178.44 176.88 2kjz n LEU 25 N -4.61 1.69 -0.15 2.25 4.77 -0.61 -5.02 117.00 115.32 2kjz n LEU 25 Ca 0.04 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2kjz n LEU 25 Cb 0.06 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2kjz n LEU 25 CO 0.36 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 2kjz n GLY 26 N 1.91 1.08 2.71 -0.72 0.00 -0.27 -5.10 105.19 104.80 2kjz n GLY 26 Ca -0.32 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.38 0.00 -3.96 1.61 0.24 -0.12 -5.01 118.33 109.70 2kjz n VAL 27 Ca 0.00 -1.92 -0.09 0.00 -2.04 0.00 0.00 64.34 60.28 2kjz n VAL 27 Cb 0.21 0.69 -0.11 0.00 -1.47 0.00 0.00 33.84 33.16 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 -3.03 0.20 -0.36 -1.34 -4.77 -1.26 -4.45 116.67 101.66 2kjz s ASP 28 Ca 0.17 -0.44 -0.28 0.00 -3.30 0.00 0.00 52.55 48.69 2kjz s ASP 28 Cb 0.01 0.12 -0.02 0.00 -1.09 0.00 0.00 42.92 41.94 2kjz s ASP 28 CO 0.12 -0.31 1.76 -2.84 0.70 0.00 0.00 175.17 174.60 2kjz s PRO 29 N -1.42 3.30 0.37 2.11 0.02 -1.26 -4.63 135.00 133.49 2kjz s PRO 29 Ca -0.15 1.29 0.10 0.00 0.02 0.00 0.00 61.00 62.26 2kjz s PRO 29 Cb -0.09 -4.19 0.73 0.00 0.02 0.00 0.00 34.50 30.96 2kjz s PRO 29 CO -0.01 -1.90 1.86 -0.24 -0.33 0.00 0.00 177.00 176.39 2kjz h VAL 30 N 6.77 1.22 -4.34 3.83 3.04 -1.23 -3.41 116.25 122.13 2kjz h VAL 30 Ca -0.32 -1.01 -0.70 0.00 -1.01 0.00 0.00 66.70 63.67 2kjz h VAL 30 Cb 1.16 1.41 -0.27 0.00 -2.01 0.00 0.00 31.29 31.58 2kjz h VAL 30 CO 1.06 0.30 -0.87 -1.61 -1.01 0.00 0.00 177.57 175.43 2kjz s GLU 31 N -4.50 1.93 0.03 4.17 2.02 -0.88 -5.03 118.70 116.44 2kjz s GLU 31 Ca -0.05 -1.04 -0.27 0.00 0.02 0.00 0.00 54.97 53.63 2kjz s GLU 31 Cb 0.15 -2.03 0.07 0.00 0.10 0.00 0.00 34.13 32.42 2kjz s GLU 31 CO 0.73 0.53 0.63 0.45 0.02 0.00 0.00 175.26 177.63 2kjz s SER 32 N -1.08 -0.60 0.13 -0.19 0.15 -1.26 -0.42 113.70 110.43 2kjz s SER 32 Ca 0.12 0.43 -0.05 0.00 0.70 0.00 0.00 55.95 57.14 2kjz s SER 32 Cb -0.10 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.74 2kjz s SER 32 CO 0.02 -0.74 0.17 -0.44 1.20 0.00 0.00 173.24 173.44 2kjz s SER 33 N -1.78 0.18 0.41 5.45 0.01 -0.17 -4.96 113.70 112.85 2kjz s SER 33 Ca -0.07 -0.97 0.27 0.00 1.31 0.00 0.00 55.95 56.50 2kjz s SER 33 Cb -0.00 0.35 1.48 0.00 0.21 0.00 0.00 66.02 68.06 2kjz s SER 33 CO 0.01 -0.79 1.83 1.55 0.41 0.00 0.00 173.24 176.25 2kjz h PRO 34 N 2.73 0.00 0.00 12.44 0.13 -2.03 -2.75 132.00 142.53 2kjz h PRO 34 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kjz h PRO 34 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kjz h PRO 34 CO 0.55 0.00 -0.06 -2.37 -0.23 0.00 0.00 178.00 175.88 2kjz n THR 35 N -2.46 0.77 -3.61 1.56 5.66 -1.26 -4.76 114.28 110.17 2kjz n THR 35 Ca -0.02 -0.84 -0.11 0.00 -3.05 0.00 0.00 64.05 60.04 2kjz n THR 35 Cb 0.06 0.50 -0.04 0.00 -1.55 0.00 0.00 70.33 69.30 2kjz n THR 35 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2kjz s PHE 36 N -0.95 -0.24 0.03 1.09 5.36 -1.04 -3.06 117.98 119.17 2kjz s PHE 36 Ca 0.06 -0.06 -0.19 0.00 -0.96 0.00 0.00 56.93 55.78 2kjz s PHE 36 Cb 0.05 0.29 0.04 0.00 -0.34 0.00 0.00 43.02 43.06 2kjz s PHE 36 CO 0.01 -0.72 0.42 -1.12 -1.46 0.00 0.00 175.22 172.35 2kjz s SER 37 N -2.79 -0.31 -0.11 6.13 0.01 -0.44 -0.99 113.70 115.20 2kjz s SER 37 Ca 0.03 0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.30 2kjz s SER 37 Cb 0.02 0.42 0.06 0.00 0.21 0.00 0.00 66.02 66.72 2kjz s SER 37 CO -0.12 -0.64 0.24 -0.22 0.41 0.00 0.00 173.24 172.91 2kjz s LEU 38 N -1.88 -0.01 -0.02 2.44 1.98 0.44 -0.66 118.68 120.97 2kjz s LEU 38 Ca -0.07 0.54 0.03 0.00 -2.89 0.00 0.00 54.13 51.74 2kjz s LEU 38 Cb -0.01 0.66 -0.00 0.00 0.66 0.00 0.00 46.19 47.50 2kjz s LEU 38 CO -0.01 -0.21 -0.11 0.72 -1.89 0.00 0.00 176.35 174.85 2kjz s PHE 39 N 1.98 1.10 -0.20 5.38 -0.12 -0.79 -0.58 117.98 124.76 2kjz s PHE 39 Ca -0.02 -0.26 -0.03 0.00 -0.05 0.00 0.00 56.93 56.56 2kjz s PHE 39 Cb -0.11 -0.75 -0.01 0.00 -0.63 0.00 0.00 43.02 41.51 2kjz s PHE 39 CO -0.08 -0.08 -0.06 0.08 -0.05 0.00 0.00 175.22 175.03 2kjz s VAL 40 N 0.00 3.36 0.23 -2.49 1.01 -1.26 -1.69 120.40 119.56 2kjz s VAL 40 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 2kjz s VAL 40 Cb -0.08 -2.50 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 2kjz s VAL 40 CO 0.00 0.45 0.60 -0.76 0.00 0.00 0.00 175.10 175.39 2kjz s LEU 41 N 1.14 4.19 0.00 3.92 1.43 -0.55 -4.97 118.68 123.84 2kjz s LEU 41 Ca 0.02 1.06 0.10 0.00 -1.03 0.00 0.00 54.13 54.28 2kjz s LEU 41 Cb -0.15 -3.69 0.50 0.00 0.03 0.00 0.00 46.19 42.89 2kjz s LEU 41 CO -0.01 -0.06 1.26 0.00 0.23 0.00 0.00 176.35 177.76 2kjz n ALA 42 N 0.04 1.60 1.84 4.21 0.00 -1.26 -2.50 120.51 124.43 2kjz n ALA 42 Ca -0.00 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.49 2kjz n ALA 42 Cb 0.52 -1.17 0.50 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.35 0.35 0.00 0.00 4.13 -1.26 -4.87 115.26 112.26 2kjz n ASN 43 Ca 0.04 -1.50 0.00 0.00 1.68 0.00 0.00 54.58 54.80 2kjz n ASN 43 Cb 0.09 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 2kjz n ASN 43 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kjz n GLY 44 N 0.85 0.70 3.69 7.41 0.00 -1.04 -5.07 105.19 111.74 2kjz n GLY 44 Ca 0.14 -0.14 -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 -0.59 2.09 -0.01 1.61 0.23 -1.22 -5.03 119.30 116.38 2kjz s MET 45 Ca 0.00 -2.06 0.02 0.00 -1.03 0.00 0.00 55.69 52.62 2kjz s MET 45 Cb 0.00 -1.75 -0.00 0.00 -1.53 0.00 0.00 34.83 31.54 2kjz s MET 45 CO 0.00 -0.14 -0.06 0.21 -2.03 0.00 0.00 175.02 173.00 2kjz s LYS 46 N -3.82 0.50 -0.05 3.16 2.20 -0.93 -1.48 119.74 119.33 2kjz s LYS 46 Ca 0.33 -0.21 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 2kjz s LYS 46 Cb 0.06 -0.49 0.03 0.00 -1.51 0.00 0.00 37.83 35.92 2kjz s LYS 46 CO 0.17 0.12 0.01 -1.17 -0.36 0.00 0.00 175.35 174.13 2kjz s LEU 47 N -0.08 0.72 0.42 5.43 0.20 -0.68 -1.67 118.68 123.02 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 -0.03 -0.29 0.00 0.00 -0.43 0.00 0.00 46.19 45.44 2kjz s LEU 47 CO -0.00 -0.17 0.51 -0.83 -0.29 0.00 0.00 176.35 175.58 2kjz s GLY 48 N 1.63 2.00 -0.23 7.98 0.00 -0.17 -1.88 107.32 116.65 2kjz s GLY 48 Ca -0.01 -1.73 -0.04 0.00 0.00 0.00 0.00 44.72 42.93 2kjz s GLY 48 CO -0.03 -1.55 0.11 -2.27 0.00 0.00 0.00 173.10 169.36 2kjz s LEU 49 N -4.29 0.46 -0.14 0.66 2.96 0.16 -2.05 118.68 116.46 2kjz s LEU 49 Ca 0.53 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 2kjz s LEU 49 Cb -0.08 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.30 2kjz s LEU 49 CO 0.32 -0.40 -0.14 0.86 -1.32 0.00 0.00 176.35 175.67 2kjz s TRP 50 N 2.11 2.80 0.13 5.38 -0.11 -0.75 -1.33 118.94 127.18 2kjz s TRP 50 Ca 0.06 -0.74 -0.30 0.00 1.22 0.00 0.00 56.10 56.34 2kjz s TRP 50 Cb -0.16 -1.85 -0.06 0.00 -1.50 0.00 0.00 33.47 29.89 2kjz s TRP 50 CO -0.24 -0.28 1.00 -1.12 -4.62 0.00 0.00 176.95 171.70 2kjz s SER 51 N 0.46 7.43 0.58 5.86 0.01 -1.17 -2.07 113.70 124.79 2kjz s SER 51 Ca -0.10 1.88 0.36 0.00 1.31 0.00 0.00 55.95 59.40 2kjz s SER 51 Cb -0.16 -2.59 1.60 0.00 0.21 0.00 0.00 66.02 65.08 2kjz s SER 51 CO 0.05 -0.11 2.07 0.08 0.41 0.00 0.00 173.24 175.74 2kjz h ARG 52 N 5.45 0.00 0.00 12.44 0.11 -1.46 -2.23 114.38 128.69 2kjz h ARG 52 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2kjz h ARG 52 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2kjz h ARG 52 CO 0.72 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.40 2kjz n HIS 53 N -3.08 0.00 -0.49 4.08 1.44 -1.26 -3.59 115.22 112.32 2kjz n HIS 53 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kjz n HIS 53 Cb 0.25 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 29.94 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 -1.42 0.39 -2.27 0.61 5.66 -0.87 -5.07 114.28 111.32 2kjz n THR 54 Ca 0.09 -0.45 -0.36 0.00 -3.05 0.00 0.00 64.05 60.27 2kjz n THR 54 Cb 0.29 0.91 -0.01 0.00 -1.55 0.00 0.00 70.33 69.97 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 -0.39 3.14 -0.19 1.08 0.11 -1.03 -4.98 120.40 118.14 2kjz s VAL 55 Ca 0.00 0.81 -0.00 0.00 -2.93 0.00 0.00 61.98 59.86 2kjz s VAL 55 Cb 0.00 -3.39 0.05 0.00 -1.53 0.00 0.00 36.38 31.51 2kjz s VAL 55 CO 0.00 -0.05 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.05 2kjz s GLU 56 N -2.86 1.48 0.35 1.54 2.02 -1.26 -1.85 118.70 118.12 2kjz s GLU 56 Ca 0.66 -0.64 -0.26 0.00 0.02 0.00 0.00 54.97 54.74 2kjz s GLU 56 Cb -0.27 -2.18 -0.09 0.00 0.10 0.00 0.00 34.13 31.68 2kjz s GLU 56 CO 0.32 -0.48 1.10 -1.25 0.02 0.00 0.00 175.26 174.97 2kjz s PRO 57 N 1.57 4.32 -0.08 0.39 0.04 -1.26 -5.10 135.00 134.88 2kjz s PRO 57 Ca -0.01 1.71 -0.37 0.00 0.04 0.00 0.00 61.00 62.36 2kjz s PRO 57 Cb -0.16 -2.83 -0.15 0.00 0.04 0.00 0.00 34.50 31.40 2kjz s PRO 57 CO -0.07 -0.05 1.62 1.63 0.04 0.00 0.00 177.00 180.17 2kjz n LYS 58 N 0.45 1.44 -3.91 4.56 4.76 -0.77 -4.99 118.16 119.70 2kjz n LYS 58 Ca 0.02 0.52 -0.09 0.00 -2.87 0.00 0.00 58.31 55.89 2kjz n LYS 58 Cb 0.47 -2.23 -0.09 0.00 -1.84 0.00 0.00 35.03 31.34 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 2.39 -0.10 -0.37 7.82 0.00 -1.26 -5.08 121.76 125.16 2kjz s ALA 59 Ca 0.91 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2kjz s ALA 59 Cb -0.93 0.28 0.12 0.00 0.00 0.00 0.00 23.12 22.60 2kjz s ALA 59 CO 0.54 -0.35 0.17 -1.12 0.00 0.00 0.00 175.76 175.01 2kjz s SER 60 N -2.24 3.67 -0.08 0.00 0.01 -1.26 -4.70 113.70 109.10 2kjz s SER 60 Ca -0.03 -2.11 -0.03 0.00 1.31 0.00 0.00 55.95 55.08 2kjz s SER 60 Cb 0.00 -0.83 0.04 0.00 0.21 0.00 0.00 66.02 65.45 2kjz s SER 60 CO -0.05 -0.34 0.17 0.54 0.41 0.00 0.00 173.24 173.97 2kjz s VAL 61 N 1.04 -0.16 0.00 3.43 0.11 -1.26 -5.16 120.40 118.40 2kjz s VAL 61 Ca 0.14 0.26 -0.00 0.00 -2.93 0.00 0.00 61.98 59.45 2kjz s VAL 61 Cb -0.21 -0.29 -0.00 0.00 -1.53 0.00 0.00 36.38 34.34 2kjz s VAL 61 CO -0.11 0.11 -0.00 0.42 -3.33 0.00 0.00 175.10 172.18 2kjz s THR 62 N 1.73 0.03 -0.47 5.04 -4.23 -1.26 -4.84 115.64 111.65 2kjz s THR 62 Ca -0.03 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 2kjz s THR 62 Cb -0.12 -0.08 0.00 0.00 1.34 0.00 0.00 72.50 73.64 2kjz s THR 62 CO -0.06 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 2kjz n GLY 63 N 2.69 0.56 3.62 3.99 0.00 -0.30 -5.03 105.19 110.73 2kjz n GLY 63 Ca -0.15 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 2kjz n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kjz s GLY 64 N -2.90 -0.50 0.00 -0.02 0.00 -1.26 -5.03 107.32 97.61 2kjz s GLY 64 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 44.72 46.77 2kjz s GLY 64 CO 0.00 1.70 0.00 0.61 0.00 0.00 0.00 173.10 175.41 2kjz n GLY 65 N 2.51 0.52 3.82 0.20 0.00 -1.26 -5.02 105.19 105.97 2kjz n GLY 65 Ca -0.14 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 2kjz n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kjz s GLY 66 N 0.00 1.61 0.11 -0.02 0.00 -1.26 -5.07 107.32 102.69 2kjz s GLY 66 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2kjz s GLY 66 CO 0.00 -0.10 0.26 -0.54 0.00 0.00 0.00 173.10 172.72 2kjz s GLU 67 N -5.47 3.46 -0.43 2.90 2.02 -1.26 -4.81 118.70 115.11 2kjz s GLU 67 Ca 0.66 -0.47 -0.06 0.00 0.02 0.00 0.00 54.97 55.12 2kjz s GLU 67 Cb -0.12 -2.99 0.11 0.00 0.10 0.00 0.00 34.13 31.24 2kjz s GLU 67 CO 0.52 0.56 0.26 -1.17 0.02 0.00 0.00 175.26 175.45 2kjz s LEU 68 N -2.83 5.41 -0.38 1.80 2.96 -0.86 -4.94 118.68 119.83 2kjz s LEU 68 Ca 0.35 -1.93 -0.25 0.00 -0.22 0.00 0.00 54.13 52.08 2kjz s LEU 68 Cb -0.12 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.67 2kjz s LEU 68 CO 0.28 -0.60 0.91 0.00 -1.32 0.00 0.00 176.35 175.62 2kjz s ALA 69 N 1.25 3.39 -0.49 5.97 0.00 -1.25 -0.66 121.76 129.96 2kjz s ALA 69 Ca 0.07 -0.52 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 2kjz s ALA 69 Cb -0.24 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.40 2kjz s ALA 69 CO -0.02 -1.65 0.65 -0.06 0.00 0.00 0.00 175.76 174.68 2kjz s PHE 70 N 3.47 3.03 -0.08 0.00 0.40 -0.14 -4.98 117.98 119.68 2kjz s PHE 70 Ca 0.37 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 56.12 2kjz s PHE 70 Cb -0.12 -3.52 -0.04 0.00 0.51 0.00 0.00 43.02 39.85 2kjz s PHE 70 CO 0.19 -1.02 0.53 1.03 0.70 0.00 0.00 175.22 176.66 2kjz s ARG 71 N 2.77 4.33 0.19 0.44 0.52 -1.26 -1.57 118.95 124.36 2kjz s ARG 71 Ca 0.18 0.56 0.02 0.00 -0.52 0.00 0.00 55.73 55.97 2kjz s ARG 71 Cb -0.17 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 31.84 2kjz s ARG 71 CO 0.14 0.21 0.01 0.14 0.02 0.00 0.00 175.30 175.82 2kjz s VAL 72 N 0.42 0.74 0.08 3.52 -7.23 -0.95 -5.00 120.40 111.99 2kjz s VAL 72 Ca 0.28 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.30 2kjz s VAL 72 Cb -0.16 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.48 2kjz s VAL 72 CO 0.13 -0.40 1.41 1.05 -0.31 0.00 0.00 175.10 176.98 2kjz h GLU 73 N 2.62 0.60 -3.44 4.82 4.11 -1.96 -3.20 114.58 118.12 2kjz h GLU 73 Ca -0.37 -0.30 -0.11 0.00 0.07 0.00 0.00 59.36 58.65 2kjz h GLU 73 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2kjz h GLU 73 CO 0.63 0.89 0.09 0.54 0.07 0.00 0.00 179.01 181.22 2kjz s ASN 74 N -6.38 0.33 0.44 3.06 2.20 -1.26 -4.24 114.94 109.10 2kjz s ASN 74 Ca -0.13 -1.24 0.11 0.00 -0.94 0.00 0.00 52.86 50.66 2kjz s ASN 74 Cb 0.08 0.77 1.00 0.00 -2.00 0.00 0.00 41.25 41.10 2kjz s ASN 74 CO 0.80 -1.51 2.06 -2.24 -2.94 0.00 0.00 177.10 173.27 2kjz h ASP 75 N 2.05 0.33 -0.30 3.54 2.03 -1.93 -1.97 116.42 120.17 2kjz h ASP 75 Ca -0.30 -0.01 -0.11 0.00 -0.73 0.00 0.00 57.03 55.88 2kjz h ASP 75 Cb 1.25 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.66 2kjz h ASP 75 CO 0.39 0.23 -0.25 0.00 -1.03 0.00 0.00 179.24 178.59 2kjz h ALA 76 N 1.79 0.44 0.00 4.15 0.00 -1.99 -2.84 119.26 120.81 2kjz h ALA 76 Ca 0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2kjz h ALA 76 Cb 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kjz h ALA 76 CO -0.03 0.42 -0.10 1.96 0.00 0.00 0.00 179.25 181.50 2kjz h GLN 77 N 0.45 0.00 -0.36 0.00 1.08 -1.78 -0.19 115.11 114.30 2kjz h GLN 77 Ca 0.05 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.09 2kjz h GLN 77 Cb 0.80 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2kjz h GLN 77 CO 0.06 0.10 -0.43 0.28 -0.95 0.00 0.00 178.83 177.89 2kjz h VAL 78 N 0.00 1.27 -0.00 -0.54 2.07 -1.37 -2.58 116.25 115.10 2kjz h VAL 78 Ca -0.00 -1.61 -0.15 0.00 0.82 0.00 0.00 66.70 65.76 2kjz h VAL 78 Cb 0.30 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2kjz h VAL 78 CO 0.01 0.54 -0.71 -0.78 0.02 0.00 0.00 177.57 176.65 2kjz h ASP 79 N 0.73 0.02 -0.36 0.57 3.58 -1.01 0.40 116.42 120.35 2kjz h ASP 79 Ca 0.05 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 2kjz h ASP 79 Cb 1.03 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2kjz h ASP 79 CO 0.10 0.72 -0.12 -0.33 -2.88 0.00 0.00 179.24 176.74 2kjz h GLU 80 N 0.01 0.72 -0.55 0.28 5.08 -1.11 -1.59 114.58 117.42 2kjz h GLU 80 Ca -0.01 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 2kjz h GLU 80 Cb 1.25 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2kjz h GLU 80 CO 0.09 0.89 0.05 1.15 -1.00 0.00 0.00 179.01 180.19 2kjz h THR 81 N 0.51 1.25 0.74 1.13 2.02 -1.32 -2.47 112.91 114.77 2kjz h THR 81 Ca 0.09 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 2kjz h THR 81 Cb 0.64 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2kjz h THR 81 CO 0.04 0.36 -0.45 0.15 0.37 0.00 0.00 175.52 175.99 2kjz h PHE 82 N 0.84 -1.21 -0.88 3.16 3.04 -0.73 -2.67 116.94 118.50 2kjz h PHE 82 Ca 0.17 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 2kjz h PHE 82 Cb 0.43 0.43 -0.04 0.00 2.56 0.00 0.00 35.95 39.33 2kjz h PHE 82 CO 0.03 -0.68 0.53 0.00 -2.02 0.00 0.00 178.31 176.17 2kjz h ALA 83 N -1.24 1.28 -0.43 2.41 0.00 -1.29 -0.94 119.26 119.04 2kjz h ALA 83 Ca -0.10 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 2kjz h ALA 83 Cb 0.89 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kjz h ALA 83 CO 0.10 0.62 -0.27 0.78 0.00 0.00 0.00 179.25 180.48 2kjz h GLY 84 N 1.22 1.01 0.98 0.00 0.00 -1.47 -1.09 103.07 103.72 2kjz h GLY 84 Ca 0.32 -0.93 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 2kjz h GLY 84 CO -0.06 0.84 -0.14 1.49 0.00 0.00 0.00 176.54 178.68 2kjz h TRP 85 N 0.79 0.87 -0.66 5.60 4.06 -1.11 -1.97 115.95 123.53 2kjz h TRP 85 Ca 0.09 -0.20 0.05 0.00 2.06 0.00 0.00 58.89 60.88 2kjz h TRP 85 Cb 0.84 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.74 2kjz h TRP 85 CO 0.05 0.93 0.39 -0.22 -3.56 0.00 0.00 178.44 176.03 2kjz h LYS 86 N 0.57 0.72 -0.04 0.49 3.64 -1.11 -0.24 116.57 120.60 2kjz h LYS 86 Ca 0.09 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2kjz h LYS 86 Cb 0.67 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2kjz h LYS 86 CO 0.05 0.48 -0.28 0.00 -2.27 0.00 0.00 179.45 177.42 2kjz h ALA 87 N 1.32 1.48 -0.59 5.00 0.00 -1.07 -2.85 119.26 122.54 2kjz h ALA 87 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kjz h ALA 87 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kjz h ALA 87 CO -0.15 0.39 0.00 0.43 0.00 0.00 0.00 179.25 179.92 2kjz n SER 88 N -4.19 4.56 -0.62 0.00 7.64 -0.75 -4.97 113.62 115.29 2kjz n SER 88 Ca -0.02 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.40 2kjz n SER 88 Cb 0.34 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 0.94 0.64 3.72 0.23 0.00 -0.21 -5.01 105.19 105.50 2kjz n GLY 89 Ca 0.24 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2kjz n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kjz s VAL 90 N -2.60 5.14 0.22 1.61 1.01 -0.55 -4.29 120.40 120.95 2kjz s VAL 90 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 2kjz s VAL 90 Cb 0.00 -3.31 0.19 0.00 0.00 0.00 0.00 36.38 33.26 2kjz s VAL 90 CO 0.00 0.49 1.84 0.00 0.00 0.00 0.00 175.10 177.43 2kjz h ALA 91 N 6.31 1.10 -5.88 5.51 0.00 -1.09 -3.42 119.26 121.79 2kjz h ALA 91 Ca -0.42 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.19 2kjz h ALA 91 Cb 1.17 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2kjz h ALA 91 CO 0.70 0.61 -0.88 0.00 0.00 0.00 0.00 179.25 179.68 2kjz n MET 92 N -4.36 -2.13 -3.53 0.00 3.85 -0.76 -4.90 117.12 105.29 2kjz n MET 92 Ca 0.09 1.79 -0.40 0.00 -1.00 0.00 0.00 57.70 58.18 2kjz n MET 92 Cb 0.10 -3.79 -0.05 0.00 -1.05 0.00 0.00 33.22 28.43 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 -2.33 5.90 0.00 3.17 -0.00 -1.25 -4.91 118.68 119.26 2kjz s LEU 93 Ca 0.26 -3.37 0.00 0.00 -0.00 0.00 0.00 54.13 51.02 2kjz s LEU 93 Cb -0.05 -2.02 0.00 0.00 -0.00 0.00 0.00 46.19 44.12 2kjz s LEU 93 CO 0.75 -0.30 0.00 1.67 -0.00 0.00 0.00 176.35 178.47 2kjz n GLN 94 N 2.89 0.00 -2.63 1.48 -0.06 -1.24 -4.84 117.38 112.98 2kjz n GLN 94 Ca 0.18 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.76 2kjz n GLN 94 Cb 0.39 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.55 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 -0.47 4.28 -0.34 3.69 -0.21 -1.26 -4.65 119.66 120.69 2kjz s GLN 95 Ca 0.00 1.41 -0.28 0.00 0.02 0.00 0.00 55.36 56.51 2kjz s GLN 95 Cb 0.00 -3.64 -0.07 0.00 1.00 0.00 0.00 33.01 30.30 2kjz s GLN 95 CO 0.00 -0.60 2.30 -0.35 -2.12 0.00 0.00 175.29 174.52 2kjz n PRO 96 N 6.20 1.52 -4.01 2.91 -0.04 -1.26 -4.78 135.00 135.54 2kjz n PRO 96 Ca 0.12 0.31 -0.09 0.00 -0.04 0.00 0.00 63.50 63.80 2kjz n PRO 96 Cb 0.46 -3.21 -0.11 0.00 -0.04 0.00 0.00 33.50 30.60 2kjz n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kjz s ALA 97 N 9.66 0.23 0.32 0.55 0.00 -0.75 -4.94 121.76 126.84 2kjz s ALA 97 Ca 1.02 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 2kjz s ALA 97 Cb -0.34 0.17 -0.11 0.00 0.00 0.00 0.00 23.12 22.84 2kjz s ALA 97 CO 0.33 -0.20 1.48 0.15 0.00 0.00 0.00 175.76 177.52 2kjz s LYS 98 N -2.04 4.18 0.29 0.00 -0.14 -1.26 -1.44 119.74 119.33 2kjz s LYS 98 Ca -0.10 2.47 0.01 0.00 -1.36 0.00 0.00 55.97 56.98 2kjz s LYS 98 Cb -0.06 -3.02 -0.02 0.00 -1.68 0.00 0.00 37.83 33.04 2kjz s LYS 98 CO -0.03 -0.48 0.30 1.41 -0.76 0.00 0.00 175.35 175.79 2kjz s MET 99 N -1.31 1.62 0.48 1.68 -2.45 -0.07 -4.91 119.30 114.35 2kjz s MET 99 Ca 0.56 -1.79 0.25 0.00 -1.25 0.00 0.00 55.69 53.46 2kjz s MET 99 Cb -0.45 0.35 1.30 0.00 1.25 0.00 0.00 34.83 37.28 2kjz s MET 99 CO 0.54 -0.61 1.87 1.49 1.05 0.00 0.00 175.02 179.36 2kjz h GLU 100 N 2.28 0.18 -0.01 4.11 4.57 -2.02 -1.77 114.58 121.91 2kjz h GLU 100 Ca -0.29 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2kjz h GLU 100 Cb 1.24 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2kjz h GLU 100 CO 0.41 0.12 -0.43 1.19 -1.18 0.00 0.00 179.01 179.12 2kjz n PHE 101 N -4.39 0.00 0.00 0.92 3.72 -1.26 -4.98 117.46 111.47 2kjz n PHE 101 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 2kjz n PHE 101 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 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 1.27 0.57 3.56 1.37 0.00 -0.67 -3.86 105.19 107.43 2kjz n GLY 102 Ca 0.07 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.89 2.15 0.10 1.61 5.04 -0.77 -0.89 117.35 123.71 2kjz s TYR 103 Ca 0.00 0.29 0.08 0.00 -2.44 0.00 0.00 57.07 55.01 2kjz s TYR 103 Cb 0.00 -4.44 -0.04 0.00 0.35 0.00 0.00 41.96 37.83 2kjz s TYR 103 CO 0.00 -2.09 -0.17 -0.08 -1.34 0.00 0.00 175.55 171.88 2kjz s THR 104 N 6.55 2.93 -0.11 4.34 -1.32 -0.52 -0.60 115.64 126.92 2kjz s THR 104 Ca 0.47 -1.40 -0.05 0.00 -1.21 0.00 0.00 61.69 59.50 2kjz s THR 104 Cb -0.10 -2.33 0.05 0.00 -1.51 0.00 0.00 72.50 68.61 2kjz s THR 104 CO 0.19 0.14 0.25 0.12 -2.21 0.00 0.00 174.62 173.11 2kjz s PHE 105 N -1.12 -0.33 -0.18 9.09 5.36 -0.12 -1.80 117.98 128.87 2kjz s PHE 105 Ca 0.18 0.79 0.01 0.00 -0.96 0.00 0.00 56.93 56.95 2kjz s PHE 105 Cb -0.11 0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.64 2kjz s PHE 105 CO 0.10 -0.24 -0.18 0.99 -1.46 0.00 0.00 175.22 174.42 2kjz s THR 106 N 1.33 2.00 0.24 0.12 2.01 -1.26 -0.28 115.64 119.79 2kjz s THR 106 Ca -0.09 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.04 2kjz s THR 106 Cb -0.10 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2kjz s THR 106 CO -0.09 0.48 0.15 0.00 -0.69 0.00 0.00 174.62 174.47 2kjz s ALA 107 N 1.30 3.49 -0.04 7.40 0.00 -0.25 -3.72 121.76 129.95 2kjz s ALA 107 Ca 0.04 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 2kjz s ALA 107 Cb -0.14 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.81 2kjz s ALA 107 CO -0.12 0.30 0.07 0.00 0.00 0.00 0.00 175.76 176.01 2kjz s ALA 108 N -2.09 0.01 0.87 0.00 0.00 -1.26 -1.74 121.76 117.53 2kjz s ALA 108 Ca 0.32 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.59 2kjz s ALA 108 Cb -0.08 -0.41 0.18 0.00 0.00 0.00 0.00 23.12 22.81 2kjz s ALA 108 CO 0.24 -0.22 1.19 0.16 0.00 0.00 0.00 175.76 177.12 2kjz s ASP 109 N 1.39 3.56 0.45 0.00 -4.77 -1.26 -0.56 116.67 115.48 2kjz s ASP 109 Ca -0.06 -0.09 0.15 0.00 -3.30 0.00 0.00 52.55 49.25 2kjz s ASP 109 Cb -0.12 -0.05 1.08 0.00 -1.09 0.00 0.00 42.92 42.74 2kjz s ASP 109 CO -0.04 -2.41 2.01 -0.65 0.70 0.00 0.00 175.17 174.78 2kjz h PRO 110 N -1.18 0.32 0.00 2.11 0.11 -1.95 -2.00 132.00 129.41 2kjz h PRO 110 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2kjz h PRO 110 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kjz h PRO 110 CO 0.36 0.21 0.00 -3.47 -0.21 0.00 0.00 178.00 174.90 2kjz n ASP 111 N -4.47 0.00 -2.16 -2.05 2.03 -1.26 -4.91 116.55 103.73 2kjz n ASP 111 Ca 0.08 -0.18 -0.06 0.00 0.52 0.00 0.00 54.79 55.15 2kjz n ASP 111 Cb 0.33 -0.25 0.03 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.25 -3.76 -1.52 1.67 7.64 -0.75 -4.60 113.62 111.05 2kjz n SER 112 Ca 0.13 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2kjz n SER 112 Cb 0.19 -2.28 0.00 0.00 -1.01 0.00 0.00 64.21 61.11 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 -2.15 -2.21 -3.32 1.43 8.25 -1.26 -1.15 115.22 114.81 2kjz n HIS 113 Ca -0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 2kjz n HIS 113 Cb 0.55 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.60 2kjz n HIS 113 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2kjz s ARG 114 N -0.73 0.58 -0.35 -0.41 1.70 -1.26 -4.46 118.95 114.02 2kjz s ARG 114 Ca 0.00 -0.40 0.01 0.00 -0.47 0.00 0.00 55.73 54.86 2kjz s ARG 114 Cb 0.00 -0.44 0.09 0.00 -0.57 0.00 0.00 34.95 34.03 2kjz s ARG 114 CO 0.00 -1.14 0.09 -0.51 -1.08 0.00 0.00 175.30 172.66 2kjz s LEU 115 N 1.91 4.75 -0.53 -1.89 1.43 -0.71 -2.04 118.68 121.59 2kjz s LEU 115 Ca 0.14 -1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 51.16 2kjz s LEU 115 Cb -0.12 -1.71 0.13 0.00 0.03 0.00 0.00 46.19 44.52 2kjz s LEU 115 CO -0.14 -0.41 0.46 -0.60 0.23 0.00 0.00 176.35 175.88 2kjz s ARG 116 N 1.05 2.82 0.20 1.70 3.00 0.16 -1.10 118.95 126.79 2kjz s ARG 116 Ca 0.07 -1.79 -0.26 0.00 -1.00 0.00 0.00 55.73 52.74 2kjz s ARG 116 Cb -0.21 -4.16 -0.08 0.00 0.00 0.00 0.00 34.95 30.50 2kjz s ARG 116 CO -0.06 -1.27 0.82 0.08 0.00 0.00 0.00 175.30 174.87 2kjz s VAL 117 N 1.40 4.30 0.09 7.11 1.01 0.61 -0.96 120.40 133.97 2kjz s VAL 117 Ca 0.05 1.77 -0.05 0.00 0.00 0.00 0.00 61.98 63.75 2kjz s VAL 117 Cb -0.27 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2kjz s VAL 117 CO 0.01 0.47 0.11 -0.72 0.00 0.00 0.00 175.10 174.97 2kjz s TYR 118 N -1.21 0.43 -0.15 5.22 1.13 -0.61 -0.95 117.35 121.21 2kjz s TYR 118 Ca 0.38 -0.88 -0.03 0.00 -1.41 0.00 0.00 57.07 55.14 2kjz s TYR 118 Cb -0.23 -0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 40.37 2kjz s TYR 118 CO 0.27 -0.51 -0.07 0.00 -2.51 0.00 0.00 175.55 172.73 2kjz s ALA 119 N -3.93 2.88 0.02 9.51 0.00 0.23 -2.25 121.76 128.23 2kjz s ALA 119 Ca 0.11 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 2kjz s ALA 119 Cb 0.06 -1.45 -0.07 0.00 0.00 0.00 0.00 23.12 21.66 2kjz s ALA 119 CO -0.07 0.22 1.54 0.12 0.00 0.00 0.00 175.76 177.57 2kjz s PHE 120 N 0.36 2.57 -0.66 0.00 5.36 -1.21 -1.84 117.98 122.56 2kjz s PHE 120 Ca -0.06 0.53 -0.26 0.00 -0.96 0.00 0.00 56.93 56.18 2kjz s PHE 120 Cb -0.15 -3.82 -0.11 0.00 -0.34 0.00 0.00 43.02 38.60 2kjz s PHE 120 CO 0.04 -3.22 2.42 0.00 -1.46 0.00 0.00 175.22 173.00 2kjz n ALA 121 N 5.67 0.53 0.00 11.12 0.00 -1.25 -4.88 120.51 131.69 2kjz n ALA 121 Ca 0.15 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2kjz n ALA 121 Cb 0.42 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.62 2kjz n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91