#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 3.14 -0.19 3.17 2.01 -1.26 -5.12 115.64 117.39 2kjz s THR 2 Ca 0.00 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.37 2kjz s THR 2 Cb 0.00 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.23 2kjz s THR 2 CO 0.00 0.53 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.30 2kjz s HIS 3 N 0.18 2.66 0.02 4.92 0.09 -1.26 -5.13 115.29 116.78 2kjz s HIS 3 Ca -0.07 -1.65 -0.30 0.00 -0.00 0.00 0.00 55.06 53.04 2kjz s HIS 3 Cb -0.15 -1.80 -0.04 0.00 -0.00 0.00 0.00 32.58 30.58 2kjz s HIS 3 CO 0.05 -0.78 1.14 -1.25 -0.00 0.00 0.00 174.74 173.90 2kjz s PRO 4 N 1.32 4.45 -0.01 8.40 0.04 -1.26 -4.92 135.00 143.02 2kjz s PRO 4 Ca 0.02 1.66 0.09 0.00 0.04 0.00 0.00 61.00 62.80 2kjz s PRO 4 Cb -0.15 -3.41 0.25 0.00 0.04 0.00 0.00 34.50 31.23 2kjz s PRO 4 CO -0.11 -0.24 1.20 -0.40 0.04 0.00 0.00 177.00 177.50 2kjz n ASP 5 N 4.16 2.75 -3.98 6.66 5.75 -1.26 -4.99 116.55 125.64 2kjz n ASP 5 Ca 0.09 -2.09 -0.28 0.00 -0.01 0.00 0.00 54.79 52.49 2kjz n ASP 5 Cb 0.48 -0.20 -0.17 0.00 -1.03 0.00 0.00 41.12 40.20 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 -1.16 1.86 -0.04 2.11 5.36 -1.26 -1.96 117.98 122.89 2kjz s PHE 6 Ca 0.19 -0.99 0.06 0.00 -0.96 0.00 0.00 56.93 55.23 2kjz s PHE 6 Cb 0.11 -1.42 -0.02 0.00 -0.34 0.00 0.00 43.02 41.35 2kjz s PHE 6 CO 0.11 -0.58 -0.22 -0.08 -1.46 0.00 0.00 175.22 172.99 2kjz s THR 7 N 1.50 2.36 -0.11 0.12 -1.32 -0.89 -5.02 115.64 112.28 2kjz s THR 7 Ca 0.03 -0.98 0.02 0.00 -1.21 0.00 0.00 61.69 59.56 2kjz s THR 7 Cb -0.13 -1.87 0.01 0.00 -1.51 0.00 0.00 72.50 69.00 2kjz s THR 7 CO -0.08 0.58 -0.17 -0.63 -2.21 0.00 0.00 174.62 172.10 2kjz s ILE 8 N -0.45 1.63 0.28 5.08 1.01 -1.26 -1.33 121.20 126.16 2kjz s ILE 8 Ca 0.05 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.99 2kjz s ILE 8 Cb -0.12 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2kjz s ILE 8 CO 0.01 0.47 0.44 -0.76 0.00 0.00 0.00 174.94 175.09 2kjz s LEU 9 N 0.82 4.19 -0.12 2.97 1.43 -0.93 -4.93 118.68 122.11 2kjz s LEU 9 Ca -0.09 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2kjz s LEU 9 Cb -0.16 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 2kjz s LEU 9 CO 0.01 -0.16 0.00 -0.72 0.23 0.00 0.00 176.35 175.71 2kjz s TYR 10 N -2.10 3.14 0.45 0.29 1.13 -1.26 -1.31 117.35 117.69 2kjz s TYR 10 Ca 0.37 0.05 0.03 0.00 -1.41 0.00 0.00 57.07 56.11 2kjz s TYR 10 Cb -0.09 -1.88 -0.02 0.00 -1.10 0.00 0.00 41.96 38.87 2kjz s TYR 10 CO 0.32 0.29 0.11 0.14 -2.51 0.00 0.00 175.55 173.90 2kjz s VAL 11 N -0.34 0.64 -0.32 -3.49 -7.23 -0.40 -4.88 120.40 104.38 2kjz s VAL 11 Ca 0.07 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.41 2kjz s VAL 11 Cb -0.12 -2.24 0.46 0.00 0.56 0.00 0.00 36.38 35.05 2kjz s VAL 11 CO 0.02 0.00 1.01 -0.67 -0.31 0.00 0.00 175.10 175.15 2kjz n ASP 12 N -1.40 2.06 0.00 4.85 2.03 -1.26 -1.50 116.55 121.32 2kjz n ASP 12 Ca -0.10 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.46 2kjz n ASP 12 Cb 0.65 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2kjz n ASP 12 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kjz n ASN 13 N -0.25 0.00 -0.01 1.67 5.15 -1.26 -5.05 115.26 115.51 2kjz n ASN 13 Ca 0.14 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.03 2kjz n ASN 13 Cb 0.80 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 40.02 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 -0.30 0.14 1.20 0.11 -1.91 -2.75 132.00 128.49 2kjz h PRO 14 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2kjz h PRO 14 Cb 0.00 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 2kjz h PRO 14 CO 0.00 -0.20 -0.27 -1.35 -0.21 0.00 0.00 178.00 175.97 2kjz h PRO 15 N -0.31 -0.42 0.16 1.05 0.11 -1.96 -2.85 132.00 127.77 2kjz h PRO 15 Ca 0.11 0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.95 2kjz h PRO 15 Cb 0.47 0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.70 2kjz h PRO 15 CO -0.33 -0.28 -1.29 0.00 -0.21 0.00 0.00 178.00 175.89 2kjz h ALA 16 N -1.14 0.02 0.00 -0.75 0.00 -2.00 -2.84 119.26 112.56 2kjz h ALA 16 Ca -0.01 -0.84 -0.09 0.00 0.00 0.00 0.00 54.91 53.96 2kjz h ALA 16 Cb 0.42 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2kjz h ALA 16 CO -0.10 0.82 -0.43 1.03 0.00 0.00 0.00 179.25 180.58 2kjz h SER 17 N 0.14 0.00 -0.10 0.00 0.87 -1.61 -0.32 113.55 112.54 2kjz h SER 17 Ca -0.18 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.22 2kjz h SER 17 Cb 1.99 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.96 2kjz h SER 17 CO 0.23 0.43 -0.59 0.74 -0.53 0.00 0.00 176.83 177.11 2kjz h THR 18 N 0.00 1.35 0.00 2.23 2.02 -1.53 -2.75 112.91 114.23 2kjz h THR 18 Ca -0.00 -1.89 -0.04 0.00 0.77 0.00 0.00 66.41 65.25 2kjz h THR 18 Cb 1.29 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 2kjz h THR 18 CO 0.06 0.57 -0.19 1.56 0.37 0.00 0.00 175.52 177.89 2kjz h GLN 19 N 0.20 0.00 -0.12 6.66 1.08 -1.44 -1.19 115.11 120.30 2kjz h GLN 19 Ca -0.04 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2kjz h GLN 19 Cb 1.24 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2kjz h GLN 19 CO 0.12 0.19 0.00 0.35 -0.95 0.00 0.00 178.83 178.54 2kjz h PHE 20 N 0.00 0.23 0.00 2.96 3.04 -0.97 -2.70 116.94 119.49 2kjz h PHE 20 Ca -0.00 -0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.82 2kjz h PHE 20 Cb 0.36 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 2kjz h PHE 20 CO 0.00 0.44 -0.42 1.88 -2.02 0.00 0.00 178.31 178.19 2kjz h TYR 21 N -0.05 0.00 -0.26 0.41 -1.99 -1.19 -1.29 116.97 112.60 2kjz h TYR 21 Ca 0.03 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.79 2kjz h TYR 21 Cb 0.35 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.05 2kjz h TYR 21 CO 0.03 0.42 0.09 0.87 -0.00 0.00 0.00 178.16 179.57 2kjz h LYS 22 N 0.00 0.20 -0.10 4.88 1.57 -1.03 -1.59 116.57 120.51 2kjz h LYS 22 Ca -0.00 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2kjz h LYS 22 Cb 0.75 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.02 2kjz h LYS 22 CO 0.05 0.13 -0.84 0.00 -0.57 0.00 0.00 179.45 178.23 2kjz h ALA 23 N 1.16 0.31 -0.02 3.86 0.00 -1.45 0.10 119.26 123.23 2kjz h ALA 23 Ca 0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2kjz h ALA 23 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kjz h ALA 23 CO -0.12 0.70 -0.05 1.25 0.00 0.00 0.00 179.25 181.04 2kjz h LEU 24 N 0.45 0.02 0.00 0.00 5.85 -1.01 -2.69 115.31 117.94 2kjz h LEU 24 Ca -0.07 -0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.42 2kjz h LEU 24 Cb 1.47 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.45 2kjz h LEU 24 CO 0.17 0.08 -1.93 0.18 -0.34 0.00 0.00 178.44 176.59 2kjz n LEU 25 N -4.46 0.00 0.00 2.25 4.77 -0.62 -5.02 117.00 113.92 2kjz n LEU 25 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2kjz n LEU 25 Cb 0.14 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2kjz n LEU 25 CO 0.35 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2kjz n GLY 26 N 2.07 0.66 3.28 -0.72 0.00 0.16 -5.09 105.19 105.56 2kjz n GLY 26 Ca -0.21 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 2kjz n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kjz n VAL 27 N -2.72 0.00 -4.12 1.61 0.24 -0.07 -4.98 118.33 108.30 2kjz n VAL 27 Ca 0.00 -2.05 -0.13 0.00 -2.04 0.00 0.00 64.34 60.11 2kjz n VAL 27 Cb 0.06 0.23 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 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 -3.62 1.12 0.17 -1.34 -4.77 -1.26 -4.50 116.67 102.47 2kjz s ASP 28 Ca 0.10 -0.73 -0.30 0.00 -3.30 0.00 0.00 52.55 48.32 2kjz s ASP 28 Cb -0.01 0.04 -0.08 0.00 -1.09 0.00 0.00 42.92 41.78 2kjz s ASP 28 CO 0.07 -0.27 1.24 -2.84 0.70 0.00 0.00 175.17 174.06 2kjz s PRO 29 N -2.43 4.44 0.11 2.11 0.02 -1.26 -4.65 135.00 133.34 2kjz s PRO 29 Ca -0.00 1.93 -0.14 0.00 0.02 0.00 0.00 61.00 62.81 2kjz s PRO 29 Cb -0.05 -3.24 -0.07 0.00 0.02 0.00 0.00 34.50 31.16 2kjz s PRO 29 CO -0.01 -0.17 1.43 -0.24 -0.33 0.00 0.00 177.00 177.68 2kjz h VAL 30 N 3.85 1.29 -4.31 3.83 3.04 -1.18 -3.45 116.25 119.32 2kjz h VAL 30 Ca -0.44 -1.49 -0.65 0.00 -1.01 0.00 0.00 66.70 63.11 2kjz h VAL 30 Cb 1.21 1.53 -0.27 0.00 -2.01 0.00 0.00 31.29 31.76 2kjz h VAL 30 CO 0.77 0.48 -0.87 -1.61 -1.01 0.00 0.00 177.57 175.33 2kjz s GLU 31 N -4.36 1.69 -0.00 4.17 0.41 -0.89 -5.04 118.70 114.68 2kjz s GLU 31 Ca -0.12 -1.00 -0.00 0.00 -0.41 0.00 0.00 54.97 53.44 2kjz s GLU 31 Cb 0.09 -1.80 -0.00 0.00 -1.78 0.00 0.00 34.13 30.64 2kjz s GLU 31 CO 0.84 0.47 0.01 -1.54 -0.49 0.00 0.00 175.26 174.55 2kjz s SER 32 N -1.08 0.01 0.10 -0.19 1.04 -1.26 -1.48 113.70 110.84 2kjz s SER 32 Ca 0.10 -0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.44 2kjz s SER 32 Cb -0.09 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 2kjz s SER 32 CO 0.01 -0.04 0.13 -0.44 0.98 0.00 0.00 173.24 173.89 2kjz s SER 33 N -0.15 0.23 0.55 7.02 0.01 0.13 -5.02 113.70 116.47 2kjz s SER 33 Ca -0.02 -0.87 0.28 0.00 1.31 0.00 0.00 55.95 56.65 2kjz s SER 33 Cb -0.01 0.32 1.45 0.00 0.21 0.00 0.00 66.02 67.99 2kjz s SER 33 CO -0.00 -0.73 1.95 1.55 0.41 0.00 0.00 173.24 176.42 2kjz h PRO 34 N 2.83 0.00 0.00 12.44 0.13 -2.02 -3.11 132.00 142.27 2kjz h PRO 34 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kjz h PRO 34 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kjz h PRO 34 CO 0.58 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 175.98 2kjz n THR 35 N -4.17 0.00 -3.91 1.56 5.66 -1.26 -4.76 114.28 107.39 2kjz n THR 35 Ca 0.12 -0.31 -0.12 0.00 -3.05 0.00 0.00 64.05 60.69 2kjz n THR 35 Cb 0.72 1.25 -0.14 0.00 -1.55 0.00 0.00 70.33 70.62 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 -0.21 0.08 -0.03 1.09 2.19 -1.17 -1.30 117.98 118.63 2kjz s PHE 36 Ca 0.00 -0.07 0.05 0.00 0.33 0.00 0.00 56.93 57.25 2kjz s PHE 36 Cb 0.00 -0.06 -0.01 0.00 -1.31 0.00 0.00 43.02 41.64 2kjz s PHE 36 CO 0.00 -0.02 -0.19 0.45 1.83 0.00 0.00 175.22 177.29 2kjz s SER 37 N -0.17 2.29 -0.18 6.13 0.15 -0.41 -0.69 113.70 120.82 2kjz s SER 37 Ca -0.01 -0.36 -0.00 0.00 0.70 0.00 0.00 55.95 56.27 2kjz s SER 37 Cb -0.01 -0.43 0.04 0.00 -1.71 0.00 0.00 66.02 63.91 2kjz s SER 37 CO -0.00 0.21 -0.06 -0.22 1.20 0.00 0.00 173.24 174.36 2kjz s LEU 38 N -0.25 1.89 -0.23 3.45 2.96 -0.55 -0.91 118.68 125.04 2kjz s LEU 38 Ca 0.02 -0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 53.14 2kjz s LEU 38 Cb -0.09 -1.02 0.07 0.00 0.50 0.00 0.00 46.19 45.64 2kjz s LEU 38 CO 0.01 -0.18 0.00 0.72 -1.32 0.00 0.00 176.35 175.58 2kjz s PHE 39 N 1.55 1.83 -0.03 5.38 -0.71 -0.52 -0.52 117.98 124.96 2kjz s PHE 39 Ca -0.01 -1.46 -0.19 0.00 -1.04 0.00 0.00 56.93 54.23 2kjz s PHE 39 Cb -0.16 -1.43 -0.05 0.00 -1.21 0.00 0.00 43.02 40.17 2kjz s PHE 39 CO -0.08 -0.73 0.55 0.08 -1.34 0.00 0.00 175.22 173.70 2kjz s VAL 40 N 1.58 4.97 -0.03 -2.49 1.01 -1.26 -2.13 120.40 122.06 2kjz s VAL 40 Ca -0.01 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 63.00 2kjz s VAL 40 Cb -0.18 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2kjz s VAL 40 CO -0.09 0.42 0.33 -0.76 0.00 0.00 0.00 175.10 174.99 2kjz s LEU 41 N -0.13 4.44 0.00 3.92 1.43 -0.50 -4.94 118.68 122.90 2kjz s LEU 41 Ca 0.29 0.80 0.14 0.00 -1.03 0.00 0.00 54.13 54.34 2kjz s LEU 41 Cb -0.17 -2.45 0.69 0.00 0.03 0.00 0.00 46.19 44.28 2kjz s LEU 41 CO 0.15 0.34 1.38 0.00 0.23 0.00 0.00 176.35 178.45 2kjz n ALA 42 N 1.81 1.78 0.36 4.21 0.00 -1.26 -2.11 120.51 125.29 2kjz n ALA 42 Ca -0.15 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.35 2kjz n ALA 42 Cb 0.53 -1.22 0.55 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.46 115.58 108.83 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 0.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.19 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 -0.13 1.27 3.57 1.57 0.00 -0.89 -5.12 105.19 105.46 2kjz n GLY 44 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.22 1.95 -0.02 1.61 0.23 -1.18 -5.04 119.30 116.63 2kjz s MET 45 Ca 0.00 -2.18 0.02 0.00 -1.03 0.00 0.00 55.69 52.49 2kjz s MET 45 Cb 0.00 -0.97 0.01 0.00 -1.53 0.00 0.00 34.83 32.34 2kjz s MET 45 CO 0.00 -0.36 -0.06 0.21 -2.03 0.00 0.00 175.02 172.78 2kjz s LYS 46 N -3.79 0.70 0.02 3.16 2.20 -0.83 -1.42 119.74 119.79 2kjz s LYS 46 Ca 0.22 -0.18 0.04 0.00 -0.36 0.00 0.00 55.97 55.69 2kjz s LYS 46 Cb 0.04 -0.70 -0.02 0.00 -1.51 0.00 0.00 37.83 35.65 2kjz s LYS 46 CO 0.12 0.04 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.85 2kjz s LEU 47 N 0.37 2.10 0.33 5.43 0.20 -0.90 -2.09 118.68 124.13 2kjz s LEU 47 Ca -0.05 -0.34 0.05 0.00 0.69 0.00 0.00 54.13 54.48 2kjz s LEU 47 Cb -0.09 -0.56 -0.07 0.00 -0.43 0.00 0.00 46.19 45.04 2kjz s LEU 47 CO 0.00 0.07 0.03 -0.83 -0.29 0.00 0.00 176.35 175.33 2kjz s GLY 48 N -0.74 2.11 -0.03 7.98 0.00 -0.44 -1.43 107.32 114.77 2kjz s GLY 48 Ca 0.02 -2.08 -0.00 0.00 0.00 0.00 0.00 44.72 42.66 2kjz s GLY 48 CO 0.00 -1.87 0.05 1.08 0.00 0.00 0.00 173.10 172.36 2kjz s LEU 49 N -3.52 1.04 -0.08 0.66 1.43 -0.08 -2.19 118.68 115.94 2kjz s LEU 49 Ca 0.35 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2kjz s LEU 49 Cb 0.08 0.00 0.01 0.00 0.03 0.00 0.00 46.19 46.32 2kjz s LEU 49 CO 0.15 -0.13 -0.13 0.86 0.23 0.00 0.00 176.35 177.34 2kjz s TRP 50 N 1.07 1.58 -0.11 0.29 -0.11 -0.42 -1.29 118.94 119.94 2kjz s TRP 50 Ca -0.09 -0.63 -0.29 0.00 1.22 0.00 0.00 56.10 56.31 2kjz s TRP 50 Cb -0.12 -1.16 -0.01 0.00 -1.50 0.00 0.00 33.47 30.67 2kjz s TRP 50 CO -0.03 -0.33 0.99 -1.12 -4.62 0.00 0.00 176.95 171.83 2kjz s SER 51 N 0.80 7.22 0.35 5.86 0.01 -0.42 -1.27 113.70 126.24 2kjz s SER 51 Ca -0.12 1.49 0.26 0.00 1.31 0.00 0.00 55.95 58.89 2kjz s SER 51 Cb -0.15 -2.55 1.21 0.00 0.21 0.00 0.00 66.02 64.74 2kjz s SER 51 CO 0.02 -0.45 1.78 0.08 0.41 0.00 0.00 173.24 175.08 2kjz h ARG 52 N 7.12 0.00 0.00 12.44 0.11 -1.62 -2.79 114.38 129.65 2kjz h ARG 52 Ca -0.31 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.74 2kjz h ARG 52 Cb 1.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.22 2kjz h ARG 52 CO 0.86 0.00 -0.15 1.12 0.10 0.00 0.00 179.97 181.89 2kjz h HIS 53 N 0.00 0.00 0.00 4.08 2.07 -1.91 -3.23 115.15 116.16 2kjz h HIS 53 Ca 0.00 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.47 2kjz h HIS 53 Cb 0.22 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.10 2kjz h HIS 53 CO 0.00 0.15 -0.56 -2.37 -3.07 0.00 0.00 177.93 172.08 2kjz n THR 54 N -3.49 0.00 -1.63 6.12 5.66 -1.14 -5.05 114.28 114.76 2kjz n THR 54 Ca -0.01 -0.25 -0.37 0.00 -3.05 0.00 0.00 64.05 60.37 2kjz n THR 54 Cb 0.31 0.56 0.07 0.00 -1.55 0.00 0.00 70.33 69.72 2kjz n THR 54 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2kjz n VAL 55 N 0.12 4.18 -3.95 1.08 3.14 -1.06 -4.91 118.33 116.93 2kjz n VAL 55 Ca -0.00 -0.48 -0.29 0.00 -2.96 0.00 0.00 64.34 60.61 2kjz n VAL 55 Cb 0.79 -1.29 -0.16 0.00 -1.06 0.00 0.00 33.84 32.11 2kjz n VAL 55 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2kjz s GLU 56 N -3.13 1.77 0.37 1.45 2.02 -1.26 -1.34 118.70 118.58 2kjz s GLU 56 Ca 0.79 -0.65 -0.27 0.00 0.02 0.00 0.00 54.97 54.87 2kjz s GLU 56 Cb -0.39 -2.17 -0.09 0.00 0.10 0.00 0.00 34.13 31.58 2kjz s GLU 56 CO 0.44 -0.40 1.18 -2.14 0.02 0.00 0.00 175.26 174.35 2kjz s PRO 57 N 1.52 4.22 -0.27 0.39 0.02 -1.26 -5.07 135.00 134.55 2kjz s PRO 57 Ca 0.00 1.89 -0.28 0.00 0.02 0.00 0.00 61.00 62.64 2kjz s PRO 57 Cb -0.15 -2.84 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 2kjz s PRO 57 CO -0.08 -0.19 2.04 0.21 -0.33 0.00 0.00 177.00 178.65 2kjz s LYS 58 N -2.05 3.20 -0.12 5.54 2.36 -0.45 -4.95 119.74 123.27 2kjz s LYS 58 Ca 0.53 1.76 0.01 0.00 -2.55 0.00 0.00 55.97 55.73 2kjz s LYS 58 Cb -0.32 -4.30 0.02 0.00 -1.05 0.00 0.00 37.83 32.17 2kjz s LYS 58 CO 0.41 -2.02 -0.15 0.00 1.55 0.00 0.00 175.35 175.14 2kjz s ALA 59 N 7.76 1.76 -1.05 3.13 0.00 -1.26 -5.05 121.76 127.04 2kjz s ALA 59 Ca 0.92 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 51.86 2kjz s ALA 59 Cb -0.28 -0.89 0.05 0.00 0.00 0.00 0.00 23.12 21.99 2kjz s ALA 59 CO 0.34 -0.15 1.50 -1.12 0.00 0.00 0.00 175.76 176.33 2kjz s SER 60 N 1.10 6.48 -0.07 0.00 0.01 -1.26 -4.90 113.70 115.07 2kjz s SER 60 Ca -0.04 -1.53 0.03 0.00 1.31 0.00 0.00 55.95 55.73 2kjz s SER 60 Cb -0.14 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.52 2kjz s SER 60 CO -0.04 -1.52 -0.16 0.68 0.41 0.00 0.00 173.24 172.61 2kjz s VAL 61 N 5.09 1.37 -0.28 3.43 -7.23 -1.26 -5.13 120.40 116.41 2kjz s VAL 61 Ca 0.48 -0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 59.89 2kjz s VAL 61 Cb 0.00 -1.22 0.11 0.00 0.56 0.00 0.00 36.38 35.83 2kjz s VAL 61 CO -0.08 0.41 0.63 0.42 -0.31 0.00 0.00 175.10 176.17 2kjz s THR 62 N 0.44 -0.57 0.00 5.32 -4.23 -1.26 -5.00 115.64 110.34 2kjz s THR 62 Ca -0.13 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2kjz s THR 62 Cb -0.15 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.74 2kjz s THR 62 CO 0.04 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 2kjz n GLY 63 N 4.99 2.08 0.00 3.99 0.00 -1.18 -5.00 105.19 110.08 2kjz n GLY 63 Ca -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.82 7.00 -0.02 0.00 -1.08 -4.40 105.19 107.51 2kjz n GLY 64 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 2.80 3.80 -0.02 0.00 -1.26 -4.53 105.19 105.98 2kjz n GLY 65 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 2.42 0.29 -0.02 0.00 -1.26 -4.96 107.32 103.79 2kjz s GLY 66 Ca 0.00 0.54 0.07 0.00 0.00 0.00 0.00 44.72 45.32 2kjz s GLY 66 CO 0.00 0.85 0.31 -1.83 0.00 0.00 0.00 173.10 172.42 2kjz s GLU 67 N -3.39 2.99 -0.33 2.90 -1.05 -1.26 -4.39 118.70 114.16 2kjz s GLU 67 Ca 0.66 -1.07 0.03 0.00 -0.15 0.00 0.00 54.97 54.43 2kjz s GLU 67 Cb -0.15 -2.64 0.09 0.00 -0.44 0.00 0.00 34.13 30.99 2kjz s GLU 67 CO 0.22 0.24 0.03 -1.17 0.95 0.00 0.00 175.26 175.54 2kjz s LEU 68 N -3.98 4.51 -0.35 1.83 2.96 -0.29 -4.97 118.68 118.39 2kjz s LEU 68 Ca 0.38 -1.95 -0.24 0.00 -0.22 0.00 0.00 54.13 52.09 2kjz s LEU 68 Cb -0.08 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.99 2kjz s LEU 68 CO 0.27 -0.35 0.84 0.00 -1.32 0.00 0.00 176.35 175.79 2kjz s ALA 69 N 0.98 3.45 -0.49 5.97 0.00 -1.26 -0.95 121.76 129.46 2kjz s ALA 69 Ca 0.06 -0.51 -0.21 0.00 0.00 0.00 0.00 51.96 51.29 2kjz s ALA 69 Cb -0.20 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.55 2kjz s ALA 69 CO -0.07 -1.46 0.73 -0.06 0.00 0.00 0.00 175.76 174.90 2kjz s PHE 70 N 3.20 2.99 -0.05 0.00 0.40 0.83 -4.93 117.98 120.42 2kjz s PHE 70 Ca 0.34 -0.16 -0.19 0.00 -0.60 0.00 0.00 56.93 56.32 2kjz s PHE 70 Cb -0.13 -3.62 -0.05 0.00 0.51 0.00 0.00 43.02 39.74 2kjz s PHE 70 CO 0.16 -1.05 0.52 1.03 0.70 0.00 0.00 175.22 176.59 2kjz s ARG 71 N 3.09 4.26 0.09 0.44 0.52 -1.26 -1.90 118.95 124.18 2kjz s ARG 71 Ca 0.23 0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 56.02 2kjz s ARG 71 Cb -0.15 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 2kjz s ARG 71 CO 0.17 0.34 -0.02 0.14 0.02 0.00 0.00 175.30 175.96 2kjz s VAL 72 N -0.02 0.37 0.16 3.52 -7.23 -1.05 -4.99 120.40 111.15 2kjz s VAL 72 Ca 0.28 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 2kjz s VAL 72 Cb -0.17 -1.73 0.03 0.00 0.56 0.00 0.00 36.38 35.07 2kjz s VAL 72 CO 0.14 -0.80 1.63 1.05 -0.31 0.00 0.00 175.10 176.81 2kjz h GLU 73 N 3.00 0.88 -3.13 4.82 4.11 -1.92 -3.23 114.58 119.11 2kjz h GLU 73 Ca -0.35 -0.25 -0.06 0.00 0.07 0.00 0.00 59.36 58.77 2kjz h GLU 73 Cb 1.17 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2kjz h GLU 73 CO 0.64 0.88 0.23 0.54 0.07 0.00 0.00 179.01 181.36 2kjz s ASN 74 N -6.31 0.15 0.40 3.06 2.20 -1.26 -4.26 114.94 108.92 2kjz s ASN 74 Ca -0.12 -1.25 0.11 0.00 -0.94 0.00 0.00 52.86 50.66 2kjz s ASN 74 Cb 0.12 0.85 0.92 0.00 -2.00 0.00 0.00 41.25 41.14 2kjz s ASN 74 CO 0.82 -1.69 1.95 -2.24 -2.94 0.00 0.00 177.10 173.00 2kjz h ASP 75 N 2.01 0.49 -0.25 3.54 2.03 -1.91 -1.87 116.42 120.46 2kjz h ASP 75 Ca -0.33 0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 55.96 2kjz h ASP 75 Cb 1.25 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.65 2kjz h ASP 75 CO 0.42 0.29 0.06 0.00 -1.03 0.00 0.00 179.24 178.98 2kjz h ALA 76 N 1.65 0.33 0.00 4.15 0.00 -1.99 -2.85 119.26 120.56 2kjz h ALA 76 Ca 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2kjz h ALA 76 Cb 0.53 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kjz h ALA 76 CO -0.11 -0.01 -0.08 1.96 0.00 0.00 0.00 179.25 181.01 2kjz h GLN 77 N 0.23 0.00 -0.30 0.00 1.08 -1.76 -0.71 115.11 113.65 2kjz h GLN 77 Ca 0.08 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 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 0.08 -0.13 0.28 -0.95 0.00 0.00 178.83 178.11 2kjz h VAL 78 N 0.00 1.29 0.00 -0.54 2.07 -1.45 -2.80 116.25 114.82 2kjz h VAL 78 Ca -0.00 -1.22 -0.14 0.00 0.82 0.00 0.00 66.70 66.16 2kjz h VAL 78 Cb 0.25 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2kjz h VAL 78 CO 0.01 0.39 -0.66 -0.78 0.02 0.00 0.00 177.57 176.55 2kjz h ASP 79 N 0.38 0.00 -0.21 0.57 3.58 -1.08 -0.43 116.42 119.24 2kjz h ASP 79 Ca 0.07 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 2kjz h ASP 79 Cb 0.65 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 2kjz h ASP 79 CO 0.04 0.66 -0.17 -0.33 -2.88 0.00 0.00 179.24 176.56 2kjz h GLU 80 N 0.00 0.48 -0.51 0.28 5.08 -1.24 -2.43 114.58 116.24 2kjz h GLU 80 Ca -0.01 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2kjz h GLU 80 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 2kjz h GLU 80 CO 0.09 0.81 0.15 1.15 -1.00 0.00 0.00 179.01 180.20 2kjz h THR 81 N 0.16 1.21 0.23 1.13 2.02 -1.36 -2.51 112.91 113.79 2kjz h THR 81 Ca 0.04 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.52 2kjz h THR 81 Cb 0.70 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 2kjz h THR 81 CO 0.04 0.27 -0.36 0.15 0.37 0.00 0.00 175.52 176.00 2kjz h PHE 82 N 0.74 -0.97 -0.38 3.16 3.04 -0.98 -2.29 116.94 119.25 2kjz h PHE 82 Ca 0.17 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.17 2kjz h PHE 82 Cb 0.23 0.40 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 2kjz h PHE 82 CO 0.01 -0.48 0.18 0.00 -2.02 0.00 0.00 178.31 176.01 2kjz h ALA 83 N -0.12 0.47 -0.60 2.41 0.00 -1.23 -1.00 119.26 119.19 2kjz h ALA 83 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2kjz h ALA 83 Cb 0.64 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kjz h ALA 83 CO -0.14 -0.18 -0.03 0.78 0.00 0.00 0.00 179.25 179.67 2kjz h GLY 84 N 0.38 1.16 0.94 0.00 0.00 -1.44 -1.47 103.07 102.63 2kjz h GLY 84 Ca 0.16 -0.88 -0.03 0.00 0.00 0.00 0.00 47.33 46.58 2kjz h GLY 84 CO -0.12 0.81 0.13 1.49 0.00 0.00 0.00 176.54 178.85 2kjz h TRP 85 N 0.97 0.62 -0.80 5.60 4.06 -1.21 -1.70 115.95 123.49 2kjz h TRP 85 Ca 0.16 -0.06 0.03 0.00 2.06 0.00 0.00 58.89 61.09 2kjz h TRP 85 Cb 0.60 -0.18 -0.05 0.00 -1.00 0.00 0.00 29.16 28.53 2kjz h TRP 85 CO 0.04 0.58 0.51 -0.22 -3.56 0.00 0.00 178.44 175.79 2kjz h LYS 86 N 0.49 0.96 0.00 0.49 3.64 -1.01 -0.63 116.57 120.51 2kjz h LYS 86 Ca 0.13 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2kjz h LYS 86 Cb 0.24 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2kjz h LYS 86 CO -0.01 0.64 -0.37 0.00 -2.27 0.00 0.00 179.45 177.45 2kjz h ALA 87 N 1.33 1.15 -0.51 5.00 0.00 -1.14 -3.02 119.26 122.07 2kjz h ALA 87 Ca 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kjz h ALA 87 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kjz h ALA 87 CO -0.11 0.46 0.00 0.43 0.00 0.00 0.00 179.25 180.02 2kjz n SER 88 N -3.75 4.87 -1.16 0.00 7.64 -0.65 -4.98 113.62 115.58 2kjz n SER 88 Ca -0.01 -2.75 -0.02 0.00 1.01 0.00 0.00 58.87 57.10 2kjz n SER 88 Cb 0.45 -0.60 0.01 0.00 -1.01 0.00 0.00 64.21 63.06 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 0.51 0.45 3.87 0.23 0.00 -0.33 -4.99 105.19 104.92 2kjz n GLY 89 Ca 0.25 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2kjz n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjz s VAL 90 N -3.04 5.27 0.14 1.61 0.11 -0.82 -4.67 120.40 119.01 2kjz s VAL 90 Ca 0.01 0.37 -0.12 0.00 -2.93 0.00 0.00 61.98 59.31 2kjz s VAL 90 Cb -0.01 -3.57 -0.01 0.00 -1.53 0.00 0.00 36.38 31.27 2kjz s VAL 90 CO 0.07 0.48 1.55 0.00 -3.33 0.00 0.00 175.10 173.87 2kjz h ALA 91 N 4.39 0.62 -6.00 1.54 0.00 -1.18 -3.44 119.26 115.20 2kjz h ALA 91 Ca -0.52 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 53.88 2kjz h ALA 91 Cb 1.21 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.85 2kjz h ALA 91 CO 0.63 0.53 -0.95 0.00 0.00 0.00 0.00 179.25 179.46 2kjz n MET 92 N -4.24 -1.98 -3.56 0.00 3.85 -1.16 -4.86 117.12 105.17 2kjz n MET 92 Ca -0.00 1.69 -0.40 0.00 -1.00 0.00 0.00 57.70 57.98 2kjz n MET 92 Cb 0.40 -3.33 -0.06 0.00 -1.05 0.00 0.00 33.22 29.18 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 -2.19 5.82 0.00 3.17 -0.00 -1.26 -4.89 118.68 119.33 2kjz s LEU 93 Ca 0.24 -3.19 0.00 0.00 -0.00 0.00 0.00 54.13 51.18 2kjz s LEU 93 Cb -0.04 -2.00 0.00 0.00 -0.00 0.00 0.00 46.19 44.16 2kjz s LEU 93 CO 0.70 -0.34 0.00 1.67 -0.00 0.00 0.00 176.35 178.38 2kjz n GLN 94 N 3.12 0.00 -2.75 1.48 -0.06 -1.25 -4.83 117.38 113.09 2kjz n GLN 94 Ca 0.16 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.73 2kjz n GLN 94 Cb 0.40 0.00 -0.03 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 0.00 3.92 -0.24 3.69 -0.21 -1.26 -4.78 119.66 120.79 2kjz s GLN 95 Ca 0.00 0.75 -0.38 0.00 0.02 0.00 0.00 55.36 55.76 2kjz s GLN 95 Cb 0.00 -3.78 -0.14 0.00 1.00 0.00 0.00 33.01 30.09 2kjz s GLN 95 CO 0.00 -0.94 1.87 -2.30 -2.12 0.00 0.00 175.29 171.80 2kjz n PRO 96 N 6.83 1.45 -4.26 2.91 -0.02 -1.26 -4.93 135.00 135.72 2kjz n PRO 96 Ca 0.09 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.90 2kjz n PRO 96 Cb 0.48 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 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 4.41 1.08 -0.01 3.55 0.00 -0.49 -4.92 121.76 125.38 2kjz s ALA 97 Ca 0.99 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 2kjz s ALA 97 Cb -0.92 -0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 2kjz s ALA 97 CO 0.59 0.17 1.53 0.15 0.00 0.00 0.00 175.76 178.20 2kjz s LYS 98 N -1.32 4.23 0.40 0.00 -0.14 -1.26 -1.36 119.74 120.28 2kjz s LYS 98 Ca -0.01 2.10 0.06 0.00 -1.36 0.00 0.00 55.97 56.76 2kjz s LYS 98 Cb -0.08 -3.73 -0.07 0.00 -1.68 0.00 0.00 37.83 32.26 2kjz s LYS 98 CO 0.01 -0.71 0.02 1.41 -0.76 0.00 0.00 175.35 175.32 2kjz s MET 99 N 3.08 1.91 0.27 1.68 -2.45 -0.29 -4.95 119.30 118.55 2kjz s MET 99 Ca 0.69 -2.09 -0.00 0.00 -1.25 0.00 0.00 55.69 53.03 2kjz s MET 99 Cb -0.33 -1.45 0.57 0.00 1.25 0.00 0.00 34.83 34.87 2kjz s MET 99 CO 0.28 -0.11 1.74 1.49 1.05 0.00 0.00 175.02 179.47 2kjz h GLU 100 N 1.81 0.53 -0.06 4.11 4.57 -2.01 -1.13 114.58 122.40 2kjz h GLU 100 Ca -0.43 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2kjz h GLU 100 Cb 1.25 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2kjz h GLU 100 CO 0.78 0.35 0.00 1.19 -1.18 0.00 0.00 179.01 180.15 2kjz n PHE 101 N -4.93 0.06 0.00 0.92 3.01 -1.26 -4.97 117.46 110.29 2kjz n PHE 101 Ca 0.18 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.61 2kjz n PHE 101 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 2kjz n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kjz n GLY 102 N 1.18 0.61 3.56 1.37 0.00 -0.43 -4.45 105.19 107.03 2kjz n GLY 102 Ca 0.18 -2.17 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.81 1.92 0.16 1.61 5.04 -0.60 -1.14 117.35 123.53 2kjz s TYR 103 Ca 0.00 0.53 0.08 0.00 -2.44 0.00 0.00 57.07 55.24 2kjz s TYR 103 Cb 0.00 -4.27 -0.04 0.00 0.35 0.00 0.00 41.96 38.00 2kjz s TYR 103 CO 0.00 -2.24 -0.07 -0.08 -1.34 0.00 0.00 175.55 171.82 2kjz s THR 104 N 7.66 3.36 -0.14 4.34 -1.32 -0.46 -0.50 115.64 128.58 2kjz s THR 104 Ca 0.58 -1.52 -0.12 0.00 -1.21 0.00 0.00 61.69 59.42 2kjz s THR 104 Cb -0.12 -2.65 0.04 0.00 -1.51 0.00 0.00 72.50 68.26 2kjz s THR 104 CO 0.21 -0.07 0.36 0.12 -2.21 0.00 0.00 174.62 173.04 2kjz s PHE 105 N -1.61 -0.42 -0.08 9.09 5.36 0.35 -1.39 117.98 129.27 2kjz s PHE 105 Ca 0.25 1.00 0.01 0.00 -0.96 0.00 0.00 56.93 57.23 2kjz s PHE 105 Cb -0.09 0.15 0.02 0.00 -0.34 0.00 0.00 43.02 42.75 2kjz s PHE 105 CO 0.16 -0.21 -0.09 0.99 -1.46 0.00 0.00 175.22 174.60 2kjz s THR 106 N 0.41 1.03 0.45 0.12 2.01 -1.26 0.20 115.64 118.59 2kjz s THR 106 Ca -0.02 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.70 2kjz s THR 106 Cb -0.04 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.48 2kjz s THR 106 CO -0.02 0.35 0.44 0.00 -0.69 0.00 0.00 174.62 174.71 2kjz s ALA 107 N 1.16 4.23 -0.06 7.40 0.00 -0.19 -3.90 121.76 130.41 2kjz s ALA 107 Ca -0.05 -1.80 -0.00 0.00 0.00 0.00 0.00 51.96 50.11 2kjz s ALA 107 Cb -0.14 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.92 2kjz s ALA 107 CO -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 175.76 175.39 2kjz s ALA 108 N -2.52 0.77 1.14 0.00 0.00 -1.26 -1.73 121.76 118.16 2kjz s ALA 108 Ca 0.48 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 2kjz s ALA 108 Cb -0.04 -0.62 0.27 0.00 0.00 0.00 0.00 23.12 22.73 2kjz s ALA 108 CO 0.29 -0.26 1.04 -0.51 0.00 0.00 0.00 175.76 176.32 2kjz s ASP 109 N 1.47 1.21 0.55 0.00 1.11 -1.26 -0.73 116.67 119.02 2kjz s ASP 109 Ca -0.02 1.49 0.29 0.00 0.18 0.00 0.00 52.55 54.48 2kjz s ASP 109 Cb -0.13 -2.25 1.46 0.00 1.07 0.00 0.00 42.92 43.07 2kjz s ASP 109 CO -0.03 -4.06 1.93 -0.65 1.18 0.00 0.00 175.17 173.54 2kjz h PRO 110 N -2.52 0.00 -0.59 8.23 0.11 -1.97 -0.98 132.00 134.28 2kjz h PRO 110 Ca -0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.51 2kjz h PRO 110 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2kjz h PRO 110 CO 0.51 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.05 2kjz n ASP 111 N -4.15 3.32 -3.00 -2.05 9.92 -1.26 -4.99 116.55 114.34 2kjz n ASP 111 Ca 0.13 -2.25 -0.14 0.00 -0.53 0.00 0.00 54.79 51.99 2kjz n ASP 111 Cb 0.75 -0.45 0.02 0.00 -0.64 0.00 0.00 41.12 40.79 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 0.76 -7.38 -2.92 -2.24 7.64 -0.37 -4.59 113.62 104.53 2kjz n SER 112 Ca 0.18 0.46 -0.11 0.00 1.01 0.00 0.00 58.87 60.41 2kjz n SER 112 Cb 0.62 -4.44 -0.02 0.00 -1.01 0.00 0.00 64.21 59.35 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 -0.14 0.14 -4.04 1.43 8.25 -1.26 -2.64 115.22 116.95 2kjz n HIS 113 Ca 0.06 -0.84 -0.32 0.00 -0.26 0.00 0.00 57.72 56.36 2kjz n HIS 113 Cb 0.47 -0.12 -0.15 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.64 2.23 -0.32 -0.41 1.81 -1.26 -4.08 118.95 114.27 2kjz s ARG 114 Ca 0.02 -1.10 0.04 0.00 -1.72 0.00 0.00 55.73 52.96 2kjz s ARG 114 Cb -0.00 -2.69 0.09 0.00 -0.45 0.00 0.00 34.95 31.90 2kjz s ARG 114 CO 0.01 -0.48 0.02 -0.51 -0.68 0.00 0.00 175.30 173.66 2kjz s LEU 115 N 1.24 4.43 -0.68 2.53 1.43 -0.71 -1.14 118.68 125.78 2kjz s LEU 115 Ca -0.05 -2.00 -0.17 0.00 -1.03 0.00 0.00 54.13 50.89 2kjz s LEU 115 Cb -0.18 -1.59 0.14 0.00 0.03 0.00 0.00 46.19 44.60 2kjz s LEU 115 CO -0.07 -0.35 0.73 -0.60 0.23 0.00 0.00 176.35 176.29 2kjz s ARG 116 N 0.96 3.24 -0.36 1.70 3.52 -0.13 -1.02 118.95 126.87 2kjz s ARG 116 Ca 0.07 -1.75 -0.26 0.00 -0.13 0.00 0.00 55.73 53.66 2kjz s ARG 116 Cb -0.19 -4.40 0.01 0.00 -1.56 0.00 0.00 34.95 28.82 2kjz s ARG 116 CO -0.08 -1.46 0.91 0.08 -0.81 0.00 0.00 175.30 173.94 2kjz s VAL 117 N 1.80 4.62 0.20 7.11 1.01 0.13 -0.12 120.40 135.16 2kjz s VAL 117 Ca 0.14 1.21 0.06 0.00 0.00 0.00 0.00 61.98 63.39 2kjz s VAL 117 Cb -0.20 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 2kjz s VAL 117 CO -0.00 -0.49 -0.10 -0.72 0.00 0.00 0.00 175.10 173.79 2kjz s TYR 118 N 3.39 1.62 -0.21 5.22 1.13 -0.80 -0.49 117.35 127.21 2kjz s TYR 118 Ca 0.37 -0.68 0.00 0.00 -1.41 0.00 0.00 57.07 55.36 2kjz s TYR 118 Cb -0.12 -0.82 0.02 0.00 -1.10 0.00 0.00 41.96 39.94 2kjz s TYR 118 CO 0.17 0.23 -0.15 0.00 -2.51 0.00 0.00 175.55 173.30 2kjz s ALA 119 N -3.12 2.48 -0.21 9.51 0.00 0.34 -2.52 121.76 128.24 2kjz s ALA 119 Ca 0.23 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.57 2kjz s ALA 119 Cb 0.02 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2kjz s ALA 119 CO 0.06 -0.55 1.07 0.12 0.00 0.00 0.00 175.76 176.46 2kjz s PHE 120 N 1.29 3.28 -0.63 0.00 5.36 -1.22 -1.56 117.98 124.50 2kjz s PHE 120 Ca 0.02 1.41 -0.26 0.00 -0.96 0.00 0.00 56.93 57.14 2kjz s PHE 120 Cb -0.15 -3.30 -0.07 0.00 -0.34 0.00 0.00 43.02 39.16 2kjz s PHE 120 CO -0.09 -0.65 2.21 0.00 -1.46 0.00 0.00 175.22 175.22 2kjz s ALA 121 N 3.17 1.59 0.00 11.12 0.00 -1.26 -4.74 121.76 131.63 2kjz s ALA 121 Ca 0.46 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2kjz s ALA 121 Cb -0.16 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.55 2kjz s ALA 121 CO 0.08 -4.64 0.00 0.41 0.00 0.00 0.00 175.76 171.61