#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 3.21 -0.39 3.17 2.01 -1.26 -5.02 115.64 117.37 2kjz s THR 2 Ca 0.00 1.16 -0.16 0.00 0.31 0.00 0.00 61.69 62.99 2kjz s THR 2 Cb 0.00 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.78 2kjz s THR 2 CO 0.00 0.25 0.40 -1.00 -0.69 0.00 0.00 174.62 173.58 2kjz s HIS 3 N -0.82 3.19 -1.14 4.92 0.09 -1.26 -5.03 115.29 115.25 2kjz s HIS 3 Ca 0.49 -0.24 -0.16 0.00 -0.00 0.00 0.00 55.06 55.15 2kjz s HIS 3 Cb -0.35 -2.79 0.13 0.00 -0.00 0.00 0.00 32.58 29.57 2kjz s HIS 3 CO 0.44 -0.59 1.41 -1.25 -0.00 0.00 0.00 174.74 174.75 2kjz s PRO 4 N 2.07 3.91 0.00 8.40 0.04 -1.26 -4.78 135.00 143.39 2kjz s PRO 4 Ca 0.12 -2.16 0.18 0.00 0.04 0.00 0.00 61.00 59.18 2kjz s PRO 4 Cb -0.17 -5.13 0.84 0.00 0.04 0.00 0.00 34.50 30.08 2kjz s PRO 4 CO 0.13 -1.89 1.57 -0.40 0.04 0.00 0.00 177.00 176.45 2kjz n ASP 5 N 6.59 0.84 -4.12 6.66 5.75 -1.26 -4.84 116.55 126.17 2kjz n ASP 5 Ca 0.35 -1.61 -0.29 0.00 -0.01 0.00 0.00 54.79 53.22 2kjz n ASP 5 Cb 0.46 -0.06 -0.17 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.88 2.17 -0.04 2.11 5.36 -1.26 -1.36 117.98 123.09 2kjz s PHE 6 Ca 0.28 -0.96 0.04 0.00 -0.96 0.00 0.00 56.93 55.33 2kjz s PHE 6 Cb 0.14 -1.51 -0.00 0.00 -0.34 0.00 0.00 43.02 41.31 2kjz s PHE 6 CO 0.22 -0.44 -0.17 -0.08 -1.46 0.00 0.00 175.22 173.29 2kjz s THR 7 N 0.69 1.39 -0.04 0.12 -1.32 -0.64 -5.00 115.64 110.85 2kjz s THR 7 Ca -0.12 -0.71 0.07 0.00 -1.21 0.00 0.00 61.69 59.72 2kjz s THR 7 Cb -0.16 -1.19 -0.01 0.00 -1.51 0.00 0.00 72.50 69.62 2kjz s THR 7 CO 0.03 0.40 -0.25 -0.63 -2.21 0.00 0.00 174.62 171.96 2kjz s ILE 8 N -0.03 2.13 -0.07 5.08 1.01 -1.26 -0.74 121.20 127.31 2kjz s ILE 8 Ca -0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.57 2kjz s ILE 8 Cb -0.11 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2kjz s ILE 8 CO 0.02 0.57 -0.02 -0.76 0.00 0.00 0.00 174.94 174.75 2kjz s LEU 9 N -0.35 3.45 -0.04 2.97 1.43 -1.06 -4.95 118.68 120.14 2kjz s LEU 9 Ca 0.02 0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.96 2kjz s LEU 9 Cb -0.12 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2kjz s LEU 9 CO 0.02 0.36 0.74 -0.72 0.23 0.00 0.00 176.35 176.98 2kjz s TYR 10 N -0.89 3.62 0.09 0.29 1.13 -1.26 -1.48 117.35 118.85 2kjz s TYR 10 Ca 0.14 1.33 0.06 0.00 -1.41 0.00 0.00 57.07 57.19 2kjz s TYR 10 Cb -0.11 -2.83 -0.03 0.00 -1.10 0.00 0.00 41.96 37.89 2kjz s TYR 10 CO 0.03 0.12 -0.15 0.14 -2.51 0.00 0.00 175.55 173.18 2kjz s VAL 11 N 0.63 1.26 -0.17 -3.49 -7.23 -0.41 -4.86 120.40 106.12 2kjz s VAL 11 Ca 0.39 -1.44 -0.15 0.00 -1.81 0.00 0.00 61.98 58.97 2kjz s VAL 11 Cb -0.19 -1.25 -0.11 0.00 0.56 0.00 0.00 36.38 35.40 2kjz s VAL 11 CO 0.20 -0.24 0.02 -0.78 -0.31 0.00 0.00 175.10 173.99 2kjz h ASP 12 N 4.08 0.00 -3.36 4.85 3.58 -1.89 -0.32 116.42 123.36 2kjz h ASP 12 Ca -0.41 -0.24 -0.74 0.00 0.42 0.00 0.00 57.03 56.05 2kjz h ASP 12 Cb 1.19 0.00 -0.28 0.00 1.72 0.00 0.00 39.33 41.96 2kjz h ASP 12 CO 0.42 1.08 -0.31 0.21 -2.88 0.00 0.00 179.24 177.77 2kjz s ASN 13 N -6.24 5.87 0.14 2.28 2.47 -1.26 -4.83 114.94 113.38 2kjz s ASN 13 Ca -0.21 -2.03 -0.24 0.00 0.42 0.00 0.00 52.86 50.81 2kjz s ASN 13 Cb 0.04 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.78 2kjz s ASN 13 CO 0.39 -0.70 1.62 -0.65 -3.72 0.00 0.00 177.10 174.04 2kjz h PRO 14 N 8.38 -0.30 -0.27 0.43 0.11 -1.90 -2.76 132.00 135.70 2kjz h PRO 14 Ca -0.19 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.01 2kjz h PRO 14 Cb 1.07 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 2kjz h PRO 14 CO 0.88 -0.20 -0.30 -1.00 -0.21 0.00 0.00 178.00 177.17 2kjz h PRO 15 N -0.32 -0.28 -0.05 1.05 0.13 -1.95 -1.20 132.00 129.37 2kjz h PRO 15 Ca 0.11 0.02 -0.23 0.00 -0.87 0.00 0.00 66.00 65.03 2kjz h PRO 15 Cb 0.49 0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.70 2kjz h PRO 15 CO -0.36 -0.19 -0.91 0.00 -0.23 0.00 0.00 178.00 176.32 2kjz h ALA 16 N 0.67 0.30 0.05 -0.56 0.00 -2.00 -2.81 119.26 114.91 2kjz h ALA 16 Ca 0.14 -0.66 -0.24 0.00 0.00 0.00 0.00 54.91 54.14 2kjz h ALA 16 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kjz h ALA 16 CO -0.43 0.73 -1.04 1.03 0.00 0.00 0.00 179.25 179.53 2kjz h SER 17 N 0.38 0.46 -0.37 0.00 0.87 -1.41 -2.38 113.55 111.10 2kjz h SER 17 Ca -0.08 -0.41 -0.08 0.00 -1.23 0.00 0.00 61.79 59.99 2kjz h SER 17 Cb 1.54 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 2kjz h SER 17 CO 0.17 1.25 -0.07 0.74 -0.53 0.00 0.00 176.83 178.39 2kjz h THR 18 N 0.16 1.27 -0.46 2.23 2.02 -1.24 -2.52 112.91 114.38 2kjz h THR 18 Ca -0.10 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 2kjz h THR 18 Cb 1.71 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 2kjz h THR 18 CO 0.17 0.37 0.22 1.56 0.37 0.00 0.00 175.52 178.22 2kjz h GLN 19 N 0.51 0.64 -0.43 6.66 1.08 -1.55 -1.97 115.11 120.04 2kjz h GLN 19 Ca 0.10 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2kjz h GLN 19 Cb 0.57 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2kjz h GLN 19 CO 0.03 0.50 0.13 0.35 -0.95 0.00 0.00 178.83 178.90 2kjz h PHE 20 N 0.64 0.70 -0.00 2.96 3.57 -1.10 -2.62 116.94 121.09 2kjz h PHE 20 Ca 0.16 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 2kjz h PHE 20 Cb 0.07 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2kjz h PHE 20 CO 0.00 0.64 -0.58 1.88 -2.23 0.00 0.00 178.31 178.02 2kjz h TYR 21 N 0.56 0.01 -0.14 0.41 -1.99 -1.21 -1.59 116.97 113.01 2kjz h TYR 21 Ca 0.14 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.90 2kjz h TYR 21 Cb 0.27 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 2kjz h TYR 21 CO 0.01 0.58 -0.07 0.87 -0.00 0.00 0.00 178.16 179.55 2kjz h LYS 22 N 0.00 -0.05 0.05 4.88 1.57 -1.00 -1.64 116.57 120.38 2kjz h LYS 22 Ca -0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 2kjz h LYS 22 Cb 1.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2kjz h LYS 22 CO 0.08 -0.04 -1.03 0.00 -0.57 0.00 0.00 179.45 177.89 2kjz h ALA 23 N 1.07 0.33 -0.13 3.86 0.00 -1.54 -0.53 119.26 122.33 2kjz h ALA 23 Ca 0.08 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.19 2kjz h ALA 23 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kjz h ALA 23 CO -0.18 0.95 0.08 1.25 0.00 0.00 0.00 179.25 181.35 2kjz h LEU 24 N 0.11 0.16 0.18 0.00 5.85 -1.08 -3.14 115.31 117.38 2kjz h LEU 24 Ca -0.08 -0.05 -0.33 0.00 0.84 0.00 0.00 57.88 58.26 2kjz h LEU 24 Cb 1.71 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.71 2kjz h LEU 24 CO 0.16 0.16 -1.65 -0.07 -0.34 0.00 0.00 178.44 176.71 2kjz h LEU 25 N 0.14 0.60 -0.08 2.25 3.38 -1.46 -3.49 115.31 116.64 2kjz h LEU 25 Ca 0.05 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.09 2kjz h LEU 25 Cb 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2kjz h LEU 25 CO -0.01 1.75 0.00 0.61 0.09 0.00 0.00 178.44 180.88 2kjz n GLY 26 N 1.83 1.40 3.10 0.83 0.00 -0.62 -5.11 105.19 106.63 2kjz n GLY 26 Ca -0.24 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.27 0.00 -4.35 1.61 0.24 -0.30 -5.00 118.33 109.26 2kjz n VAL 27 Ca 0.00 -2.17 -0.18 0.00 -2.04 0.00 0.00 64.34 59.95 2kjz n VAL 27 Cb 0.11 0.70 -0.14 0.00 -1.47 0.00 0.00 33.84 33.04 2kjz n VAL 27 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2kjz s ASP 28 N -3.33 1.10 -0.28 -1.34 2.15 -1.26 -4.47 116.67 109.24 2kjz s ASP 28 Ca 0.15 -0.22 -0.28 0.00 0.43 0.00 0.00 52.55 52.63 2kjz s ASP 28 Cb 0.01 -0.11 -0.03 0.00 -0.30 0.00 0.00 42.92 42.49 2kjz s ASP 28 CO 0.10 0.08 1.88 -2.84 -0.17 0.00 0.00 175.17 174.23 2kjz s PRO 29 N -0.39 3.37 0.21 4.34 0.02 -1.26 -4.71 135.00 136.58 2kjz s PRO 29 Ca 0.02 1.64 -0.07 0.00 0.02 0.00 0.00 61.00 62.61 2kjz s PRO 29 Cb -0.04 -4.22 0.16 0.00 0.02 0.00 0.00 34.50 30.42 2kjz s PRO 29 CO -0.00 -1.82 1.75 -0.24 -0.33 0.00 0.00 177.00 176.36 2kjz h VAL 30 N 6.78 1.26 -3.71 3.83 3.04 -1.35 -3.37 116.25 122.74 2kjz h VAL 30 Ca -0.36 -0.91 -0.69 0.00 -1.01 0.00 0.00 66.70 63.73 2kjz h VAL 30 Cb 1.19 0.45 -0.31 0.00 -2.01 0.00 0.00 31.29 30.61 2kjz h VAL 30 CO 1.01 0.36 -0.65 -1.61 -1.01 0.00 0.00 177.57 175.66 2kjz s GLU 31 N -5.39 2.47 -0.02 4.17 0.41 -0.97 -5.04 118.70 114.33 2kjz s GLU 31 Ca -0.12 -1.28 0.04 0.00 -0.41 0.00 0.00 54.97 53.20 2kjz s GLU 31 Cb 0.15 -3.33 -0.03 0.00 -1.78 0.00 0.00 34.13 29.14 2kjz s GLU 31 CO 0.84 -0.68 -0.13 -1.54 -0.49 0.00 0.00 175.26 173.26 2kjz s SER 32 N 1.37 4.11 0.08 -0.19 1.04 -1.26 -0.41 113.70 118.44 2kjz s SER 32 Ca -0.03 -0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.13 2kjz s SER 32 Cb -0.20 -0.85 -0.02 0.00 0.10 0.00 0.00 66.02 65.05 2kjz s SER 32 CO 0.00 0.31 0.08 -0.44 0.98 0.00 0.00 173.24 174.17 2kjz s SER 33 N -1.03 0.31 0.49 7.02 0.01 -0.09 -4.99 113.70 115.42 2kjz s SER 33 Ca 0.13 -0.89 0.14 0.00 1.31 0.00 0.00 55.95 56.64 2kjz s SER 33 Cb -0.11 0.27 1.15 0.00 0.21 0.00 0.00 66.02 67.55 2kjz s SER 33 CO 0.03 -0.68 2.11 1.55 0.41 0.00 0.00 173.24 176.66 2kjz h PRO 34 N 2.94 0.11 0.00 12.44 0.13 -2.03 -3.16 132.00 142.43 2kjz h PRO 34 Ca -0.34 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kjz h PRO 34 Cb 1.17 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kjz h PRO 34 CO 0.61 0.10 -0.18 -2.37 -0.23 0.00 0.00 178.00 175.92 2kjz n THR 35 N -4.50 1.14 -3.48 1.56 5.66 -1.26 -4.88 114.28 108.52 2kjz n THR 35 Ca -0.02 -1.36 -0.14 0.00 -3.05 0.00 0.00 64.05 59.48 2kjz n THR 35 Cb 0.10 0.08 -0.04 0.00 -1.55 0.00 0.00 70.33 68.92 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 -1.72 -0.53 0.00 1.09 5.36 -1.20 -2.62 117.98 118.36 2kjz s PHE 36 Ca 0.19 0.52 -0.10 0.00 -0.96 0.00 0.00 56.93 56.58 2kjz s PHE 36 Cb 0.16 0.47 0.01 0.00 -0.34 0.00 0.00 43.02 43.33 2kjz s PHE 36 CO 0.02 -0.75 0.20 -1.12 -1.46 0.00 0.00 175.22 172.10 2kjz s SER 37 N -2.26 -0.05 -0.13 6.13 0.01 0.18 -0.91 113.70 116.68 2kjz s SER 37 Ca -0.03 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.07 2kjz s SER 37 Cb -0.01 0.25 0.06 0.00 0.21 0.00 0.00 66.02 66.53 2kjz s SER 37 CO -0.06 -0.41 0.19 -0.22 0.41 0.00 0.00 173.24 173.16 2kjz s LEU 38 N -1.42 -0.12 -0.10 2.44 1.98 0.46 -0.69 118.68 121.23 2kjz s LEU 38 Ca -0.14 0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.31 2kjz s LEU 38 Cb -0.06 0.37 0.02 0.00 0.66 0.00 0.00 46.19 47.18 2kjz s LEU 38 CO 0.02 -0.27 -0.10 0.72 -1.89 0.00 0.00 176.35 174.84 2kjz s PHE 39 N 2.32 1.54 -0.14 5.38 -0.12 -0.60 -0.79 117.98 125.58 2kjz s PHE 39 Ca 0.04 -0.72 -0.04 0.00 -0.05 0.00 0.00 56.93 56.15 2kjz s PHE 39 Cb -0.13 -1.22 -0.03 0.00 -0.63 0.00 0.00 43.02 41.01 2kjz s PHE 39 CO -0.08 -0.46 0.02 0.08 -0.05 0.00 0.00 175.22 174.73 2kjz s VAL 40 N 1.38 4.40 0.10 -2.49 1.01 -1.26 -2.06 120.40 121.47 2kjz s VAL 40 Ca -0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 2kjz s VAL 40 Cb -0.14 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 2kjz s VAL 40 CO -0.05 0.53 0.37 -0.76 0.00 0.00 0.00 175.10 175.19 2kjz s LEU 41 N -0.15 4.31 0.15 3.92 1.43 -0.93 -4.98 118.68 122.43 2kjz s LEU 41 Ca 0.05 0.67 0.15 0.00 -1.03 0.00 0.00 54.13 53.98 2kjz s LEU 41 Cb -0.12 -3.09 0.71 0.00 0.03 0.00 0.00 46.19 43.72 2kjz s LEU 41 CO 0.02 0.13 1.48 0.00 0.23 0.00 0.00 176.35 178.20 2kjz n ALA 42 N 0.57 1.37 0.36 4.21 0.00 -1.26 -2.30 120.51 123.46 2kjz n ALA 42 Ca -0.06 0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2kjz n ALA 42 Cb 0.52 -1.24 0.21 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.89 0.00 0.00 0.00 4.13 -1.26 -4.85 115.26 111.39 2kjz n ASN 43 Ca 0.01 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.68 2kjz n ASN 43 Cb 0.12 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 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 -0.51 0.75 3.74 7.41 0.00 -0.97 -5.08 105.19 110.53 2kjz n GLY 44 Ca 0.03 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.75 2.20 -0.03 1.61 0.23 -1.24 -5.04 119.30 116.29 2kjz s MET 45 Ca 0.00 -1.91 0.02 0.00 -1.03 0.00 0.00 55.69 52.77 2kjz s MET 45 Cb 0.00 -1.93 0.01 0.00 -1.53 0.00 0.00 34.83 31.38 2kjz s MET 45 CO 0.00 -0.15 -0.07 0.21 -2.03 0.00 0.00 175.02 172.99 2kjz s LYS 46 N -3.90 0.81 -0.14 3.16 2.20 -0.46 -2.20 119.74 119.21 2kjz s LYS 46 Ca 0.38 -0.21 -0.00 0.00 -0.36 0.00 0.00 55.97 55.79 2kjz s LYS 46 Cb 0.04 -0.78 0.03 0.00 -1.51 0.00 0.00 37.83 35.61 2kjz s LYS 46 CO 0.21 0.04 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.99 2kjz s LEU 47 N 0.41 1.47 0.42 5.43 0.20 -0.87 -1.61 118.68 124.12 2kjz s LEU 47 Ca -0.06 -0.48 0.04 0.00 0.69 0.00 0.00 54.13 54.32 2kjz s LEU 47 Cb -0.10 -0.94 0.00 0.00 -0.43 0.00 0.00 46.19 44.73 2kjz s LEU 47 CO 0.00 -0.13 0.61 -0.83 -0.29 0.00 0.00 176.35 175.71 2kjz s GLY 48 N 1.63 1.68 -0.27 7.98 0.00 0.08 -1.55 107.32 116.87 2kjz s GLY 48 Ca 0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 44.72 43.39 2kjz s GLY 48 CO -0.08 -1.17 0.20 -2.27 0.00 0.00 0.00 173.10 169.77 2kjz s LEU 49 N -4.43 0.14 -0.14 0.66 2.96 0.13 -2.57 118.68 115.43 2kjz s LEU 49 Ca 0.50 -0.87 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2kjz s LEU 49 Cb -0.10 0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.65 2kjz s LEU 49 CO 0.35 -0.40 -0.07 0.86 -1.32 0.00 0.00 176.35 175.77 2kjz s TRP 50 N 2.23 2.94 0.06 5.38 -0.11 -0.55 -0.65 118.94 128.24 2kjz s TRP 50 Ca 0.08 -0.42 -0.31 0.00 1.22 0.00 0.00 56.10 56.67 2kjz s TRP 50 Cb -0.15 -1.91 -0.07 0.00 -1.50 0.00 0.00 33.47 29.84 2kjz s TRP 50 CO -0.29 -0.09 1.47 -1.12 -4.62 0.00 0.00 176.95 172.30 2kjz s SER 51 N 0.32 6.76 0.19 5.86 0.01 -1.08 -1.29 113.70 124.47 2kjz s SER 51 Ca -0.06 2.30 0.20 0.00 1.31 0.00 0.00 55.95 59.70 2kjz s SER 51 Cb -0.15 -2.57 0.88 0.00 0.21 0.00 0.00 66.02 64.39 2kjz s SER 51 CO 0.04 -0.75 1.62 -2.11 0.41 0.00 0.00 173.24 172.45 2kjz n ARG 52 N 4.91 0.14 0.10 12.44 1.85 -0.13 -1.73 116.66 134.24 2kjz n ARG 52 Ca 0.13 0.40 0.13 0.00 -1.00 0.00 0.00 57.85 57.51 2kjz n ARG 52 Cb 0.42 -1.78 0.43 0.00 -1.05 0.00 0.00 32.46 30.49 2kjz n ARG 52 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2kjz n HIS 53 N -2.04 0.84 -0.47 2.89 1.44 -1.26 -3.58 115.22 113.04 2kjz n HIS 53 Ca 0.02 0.26 0.00 0.00 -2.01 0.00 0.00 57.72 55.99 2kjz n HIS 53 Cb 0.19 -0.92 0.00 0.00 0.12 0.00 0.00 29.99 29.38 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 -2.20 0.61 -2.26 0.61 5.66 -0.70 -5.05 114.28 110.93 2kjz n THR 54 Ca 0.05 -0.62 -0.35 0.00 -3.05 0.00 0.00 64.05 60.08 2kjz n THR 54 Cb 0.39 0.68 -0.00 0.00 -1.55 0.00 0.00 70.33 69.84 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 -0.64 3.16 -0.09 1.08 0.11 -0.78 -4.97 120.40 118.27 2kjz s VAL 55 Ca 0.01 0.75 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 2kjz s VAL 55 Cb 0.01 -3.32 0.02 0.00 -1.53 0.00 0.00 36.38 31.56 2kjz s VAL 55 CO 0.00 -0.13 -0.08 -1.61 -3.33 0.00 0.00 175.10 169.95 2kjz s GLU 56 N -3.17 1.42 0.25 1.54 2.02 -1.26 -1.92 118.70 117.58 2kjz s GLU 56 Ca 0.71 -0.25 -0.30 0.00 0.02 0.00 0.00 54.97 55.15 2kjz s GLU 56 Cb -0.25 -1.40 -0.09 0.00 0.10 0.00 0.00 34.13 32.49 2kjz s GLU 56 CO 0.28 -0.17 1.19 -1.25 0.02 0.00 0.00 175.26 175.34 2kjz s PRO 57 N 1.36 4.51 -0.34 0.39 0.04 -1.26 -5.03 135.00 134.66 2kjz s PRO 57 Ca -0.02 1.94 -0.36 0.00 0.04 0.00 0.00 61.00 62.60 2kjz s PRO 57 Cb -0.14 -3.18 -0.12 0.00 0.04 0.00 0.00 34.50 31.11 2kjz s PRO 57 CO -0.04 -0.01 2.16 1.17 0.04 0.00 0.00 177.00 180.32 2kjz n LYS 58 N 1.68 1.09 -3.47 4.56 0.00 -0.81 -4.93 118.16 116.29 2kjz n LYS 58 Ca 0.02 0.31 -0.43 0.00 0.00 0.00 0.00 58.31 58.20 2kjz n LYS 58 Cb 0.44 -2.44 -0.10 0.00 0.00 0.00 0.00 35.03 32.93 2kjz n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kjz s ALA 59 N 7.05 3.46 -1.07 3.14 0.00 -1.26 -5.03 121.76 128.05 2kjz s ALA 59 Ca 1.09 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 51.13 2kjz s ALA 59 Cb -0.87 -2.86 0.08 0.00 0.00 0.00 0.00 23.12 19.47 2kjz s ALA 59 CO 0.50 -1.45 1.43 -1.54 0.00 0.00 0.00 175.76 174.69 2kjz s SER 60 N 1.67 6.65 -0.01 0.00 1.04 -1.26 -4.93 113.70 116.85 2kjz s SER 60 Ca 0.05 -1.92 -0.20 0.00 0.48 0.00 0.00 55.95 54.36 2kjz s SER 60 Cb -0.19 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.45 2kjz s SER 60 CO 0.10 -1.27 0.44 0.54 0.98 0.00 0.00 173.24 174.02 2kjz s VAL 61 N 3.99 0.04 -0.13 5.02 0.11 -1.26 -5.18 120.40 122.98 2kjz s VAL 61 Ca 0.44 -0.33 -0.29 0.00 -2.93 0.00 0.00 61.98 58.86 2kjz s VAL 61 Cb -0.01 -0.79 0.09 0.00 -1.53 0.00 0.00 36.38 34.14 2kjz s VAL 61 CO -0.06 -0.18 0.82 0.42 -3.33 0.00 0.00 175.10 172.78 2kjz s THR 62 N -1.52 0.00 0.00 5.04 -4.23 -1.26 -4.99 115.64 108.68 2kjz s THR 62 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 2kjz s THR 62 Cb -0.03 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.81 2kjz s THR 62 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 2kjz n GLY 63 N 1.17 1.80 3.61 3.99 0.00 -0.37 -4.97 105.19 110.43 2kjz n GLY 63 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.93 -0.67 0.00 -0.02 0.00 -1.26 -4.91 107.32 98.53 2kjz s GLY 64 Ca 0.00 2.29 0.00 0.00 0.00 0.00 0.00 44.72 47.01 2kjz s GLY 64 CO 0.00 2.81 0.00 0.61 0.00 0.00 0.00 173.10 176.52 2kjz n GLY 65 N 5.11 3.15 1.20 0.20 0.00 -1.26 -5.02 105.19 108.57 2kjz n GLY 65 Ca -0.14 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.38 2kjz n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjz n GLY 66 N 0.00 -3.23 3.82 -0.02 0.00 -1.26 -4.80 105.19 99.71 2kjz n GLY 66 Ca 0.00 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 2kjz n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kjz s GLU 67 N -1.79 3.78 -0.47 1.61 0.41 -1.26 -4.46 118.70 116.51 2kjz s GLU 67 Ca -0.00 -0.02 -0.08 0.00 -0.41 0.00 0.00 54.97 54.46 2kjz s GLU 67 Cb 0.00 -3.27 0.12 0.00 -1.78 0.00 0.00 34.13 29.20 2kjz s GLU 67 CO 0.00 0.60 0.33 -1.17 -0.49 0.00 0.00 175.26 174.53 2kjz s LEU 68 N -0.56 5.64 -0.38 1.80 2.96 -0.04 -4.91 118.68 123.20 2kjz s LEU 68 Ca 0.15 -1.97 -0.23 0.00 -0.22 0.00 0.00 54.13 51.86 2kjz s LEU 68 Cb -0.13 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.59 2kjz s LEU 68 CO 0.05 -0.66 0.78 0.00 -1.32 0.00 0.00 176.35 175.20 2kjz s ALA 69 N 1.27 3.41 -0.42 5.97 0.00 -1.26 -0.69 121.76 130.04 2kjz s ALA 69 Ca 0.07 -0.71 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 2kjz s ALA 69 Cb -0.25 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.51 2kjz s ALA 69 CO -0.01 -1.56 0.68 -0.06 0.00 0.00 0.00 175.76 174.81 2kjz s PHE 70 N 3.13 3.07 -0.16 0.00 0.40 0.30 -4.95 117.98 119.77 2kjz s PHE 70 Ca 0.31 0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 56.58 2kjz s PHE 70 Cb -0.13 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 39.99 2kjz s PHE 70 CO 0.18 -0.83 0.48 1.03 0.70 0.00 0.00 175.22 176.77 2kjz s ARG 71 N 2.92 4.26 0.25 0.44 0.52 -1.26 -2.58 118.95 123.49 2kjz s ARG 71 Ca 0.25 0.39 0.08 0.00 -0.52 0.00 0.00 55.73 55.93 2kjz s ARG 71 Cb -0.14 -3.50 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 2kjz s ARG 71 CO 0.19 0.01 -0.11 0.14 0.02 0.00 0.00 175.30 175.55 2kjz s VAL 72 N 1.11 1.81 0.25 3.52 -7.23 -1.25 -5.05 120.40 113.56 2kjz s VAL 72 Ca 0.24 -2.20 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2kjz s VAL 72 Cb -0.15 -2.27 0.04 0.00 0.56 0.00 0.00 36.38 34.57 2kjz s VAL 72 CO 0.09 -0.44 1.67 1.05 -0.31 0.00 0.00 175.10 177.17 2kjz h GLU 73 N 2.39 0.57 0.00 4.82 4.11 -1.96 -3.44 114.58 121.07 2kjz h GLU 73 Ca -0.39 -0.24 0.04 0.00 0.07 0.00 0.00 59.36 58.85 2kjz h GLU 73 Cb 1.23 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kjz h GLU 73 CO 0.64 0.79 0.40 0.27 0.07 0.00 0.00 179.01 181.18 2kjz n ASN 74 N -4.10 -2.10 0.25 3.06 0.23 -1.26 -4.88 115.26 106.46 2kjz n ASN 74 Ca -0.00 -2.34 0.07 0.00 -0.53 0.00 0.00 54.58 51.78 2kjz n ASN 74 Cb 0.44 3.48 0.60 0.00 -2.08 0.00 0.00 39.78 42.21 2kjz n ASN 74 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2kjz h ASP 75 N 1.99 0.00 -0.25 0.53 2.03 -1.92 -1.95 116.42 116.84 2kjz h ASP 75 Ca -0.31 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.90 2kjz h ASP 75 Cb 1.23 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 2kjz h ASP 75 CO 0.41 0.08 -0.18 0.00 -1.03 0.00 0.00 179.24 178.51 2kjz h ALA 76 N 1.92 0.36 0.00 4.15 0.00 -2.00 -3.01 119.26 120.68 2kjz h ALA 76 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2kjz h ALA 76 Cb 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kjz h ALA 76 CO 0.01 0.27 -0.06 1.96 0.00 0.00 0.00 179.25 181.44 2kjz h GLN 77 N 0.27 0.00 -0.53 0.00 1.08 -1.78 -0.63 115.11 113.52 2kjz h GLN 77 Ca 0.05 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 2kjz h GLN 77 Cb 0.71 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.12 2kjz h GLN 77 CO 0.05 0.06 0.03 0.28 -0.95 0.00 0.00 178.83 178.29 2kjz h VAL 78 N 0.00 1.26 0.00 -0.54 2.07 -1.43 -1.73 116.25 115.88 2kjz h VAL 78 Ca -0.00 -1.06 -0.16 0.00 0.82 0.00 0.00 66.70 66.31 2kjz h VAL 78 Cb 0.22 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2kjz h VAL 78 CO 0.01 0.38 -0.74 -0.78 0.02 0.00 0.00 177.57 176.45 2kjz h ASP 79 N 0.80 0.00 -0.50 0.57 3.58 -1.22 -0.57 116.42 119.07 2kjz h ASP 79 Ca 0.15 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.51 2kjz h ASP 79 Cb 0.49 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2kjz h ASP 79 CO 0.02 0.74 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.75 2kjz h GLU 80 N 0.00 0.91 -0.59 0.28 5.08 -1.14 -1.99 114.58 117.14 2kjz h GLU 80 Ca -0.01 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 2kjz h GLU 80 Cb 1.50 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 2kjz h GLU 80 CO 0.10 0.96 0.11 1.15 -1.00 0.00 0.00 179.01 180.32 2kjz h THR 81 N 0.78 1.24 0.59 1.13 2.02 -1.24 -2.27 112.91 115.16 2kjz h THR 81 Ca 0.14 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 2kjz h THR 81 Cb 0.57 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2kjz h THR 81 CO 0.03 0.35 -0.49 0.15 0.37 0.00 0.00 175.52 175.93 2kjz h PHE 82 N 0.89 -1.33 -0.38 3.16 3.04 -0.81 -2.16 116.94 119.35 2kjz h PHE 82 Ca 0.19 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.04 2kjz h PHE 82 Cb 0.37 0.50 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 2kjz h PHE 82 CO 0.02 -0.67 -0.14 0.00 -2.02 0.00 0.00 178.31 175.50 2kjz h ALA 83 N -1.03 1.03 -0.17 2.41 0.00 -1.40 -0.95 119.26 119.15 2kjz h ALA 83 Ca -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2kjz h ALA 83 Cb 0.88 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2kjz h ALA 83 CO -0.00 0.58 0.06 0.78 0.00 0.00 0.00 179.25 180.67 2kjz h GLY 84 N 0.98 0.29 1.15 0.00 0.00 -1.41 -0.78 103.07 103.30 2kjz h GLY 84 Ca 0.10 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 2kjz h GLY 84 CO 0.04 0.15 0.08 1.49 0.00 0.00 0.00 176.54 178.31 2kjz h TRP 85 N 0.11 1.10 -0.64 5.60 4.06 -1.25 -2.04 115.95 122.90 2kjz h TRP 85 Ca 0.06 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 2kjz h TRP 85 Cb 0.20 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 2kjz h TRP 85 CO -0.01 0.94 0.36 -0.22 -3.56 0.00 0.00 178.44 175.95 2kjz h LYS 86 N 0.97 0.88 0.00 0.49 3.64 -1.06 0.42 116.57 121.90 2kjz h LYS 86 Ca 0.19 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2kjz h LYS 86 Cb 0.44 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2kjz h LYS 86 CO 0.01 0.66 -0.23 0.00 -2.27 0.00 0.00 179.45 177.63 2kjz h ALA 87 N 1.17 1.33 -0.55 5.00 0.00 -0.98 -2.82 119.26 122.42 2kjz h ALA 87 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kjz h ALA 87 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kjz h ALA 87 CO -0.04 0.29 0.00 0.45 0.00 0.00 0.00 179.25 179.95 2kjz n SER 88 N -3.85 3.67 -1.05 0.00 2.88 -0.75 -5.00 113.62 109.53 2kjz n SER 88 Ca -0.02 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 2kjz n SER 88 Cb 0.32 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 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 1.53 0.77 3.77 0.46 0.00 0.06 -5.02 105.19 106.77 2kjz n GLY 89 Ca 0.21 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.71 4.66 0.12 1.61 0.11 -0.82 -4.52 120.40 118.86 2kjz s VAL 90 Ca 0.00 -0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 58.46 2kjz s VAL 90 Cb 0.00 -3.15 -0.12 0.00 -1.53 0.00 0.00 36.38 31.58 2kjz s VAL 90 CO 0.00 0.32 1.36 0.00 -3.33 0.00 0.00 175.10 173.45 2kjz h ALA 91 N 3.98 0.40 -5.95 1.54 0.00 -1.02 -3.44 119.26 114.78 2kjz h ALA 91 Ca -0.49 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 53.65 2kjz h ALA 91 Cb 1.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2kjz h ALA 91 CO 0.63 0.69 -0.87 0.00 0.00 0.00 0.00 179.25 179.69 2kjz n MET 92 N -3.95 -2.14 -3.60 0.00 3.85 -0.57 -4.89 117.12 105.80 2kjz n MET 92 Ca -0.06 1.76 -0.38 0.00 -1.00 0.00 0.00 57.70 58.02 2kjz n MET 92 Cb 0.70 -3.78 -0.06 0.00 -1.05 0.00 0.00 33.22 29.02 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 -2.55 5.66 0.00 3.17 -0.00 -1.26 -4.90 118.68 118.80 2kjz s LEU 93 Ca 0.32 -3.44 0.00 0.00 -0.00 0.00 0.00 54.13 51.00 2kjz s LEU 93 Cb -0.05 -1.95 0.00 0.00 -0.00 0.00 0.00 46.19 44.19 2kjz s LEU 93 CO 0.83 -0.26 0.00 1.67 -0.00 0.00 0.00 176.35 178.58 2kjz n GLN 94 N 2.74 0.00 -2.49 1.48 0.00 -1.25 -4.90 117.38 112.95 2kjz n GLN 94 Ca 0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.76 2kjz n GLN 94 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.60 2kjz n GLN 94 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2kjz s GLN 95 N 0.00 4.37 -0.61 3.69 -0.21 -1.26 -4.56 119.66 121.09 2kjz s GLN 95 Ca 0.00 1.64 -0.26 0.00 0.02 0.00 0.00 55.36 56.76 2kjz s GLN 95 Cb 0.00 -3.54 -0.05 0.00 1.00 0.00 0.00 33.01 30.43 2kjz s GLN 95 CO 0.00 -0.40 2.10 -1.25 -2.12 0.00 0.00 175.29 173.62 2kjz s PRO 96 N 2.06 2.36 0.08 2.91 0.04 -1.26 -4.69 135.00 136.50 2kjz s PRO 96 Ca 0.55 0.81 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 2kjz s PRO 96 Cb -0.24 -4.55 -0.02 0.00 0.04 0.00 0.00 34.50 29.73 2kjz s PRO 96 CO 0.22 -3.10 0.08 0.00 0.04 0.00 0.00 177.00 174.24 2kjz s ALA 97 N 10.68 0.23 0.37 8.56 0.00 -0.71 -4.95 121.76 135.95 2kjz s ALA 97 Ca 0.80 -0.99 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 2kjz s ALA 97 Cb -0.14 0.45 -0.09 0.00 0.00 0.00 0.00 23.12 23.35 2kjz s ALA 97 CO 0.20 -0.45 1.20 0.15 0.00 0.00 0.00 175.76 176.86 2kjz s LYS 98 N -3.91 4.17 0.29 0.00 -0.14 -1.26 -0.97 119.74 117.91 2kjz s LYS 98 Ca 0.09 1.94 -0.00 0.00 -1.36 0.00 0.00 55.97 56.63 2kjz s LYS 98 Cb 0.06 -2.82 0.00 0.00 -1.68 0.00 0.00 37.83 33.40 2kjz s LYS 98 CO -0.09 -0.25 0.39 -0.12 -0.76 0.00 0.00 175.35 174.52 2kjz n MET 99 N 0.35 0.56 -0.28 1.68 1.56 0.01 -4.89 117.12 116.11 2kjz n MET 99 Ca 0.03 -2.41 0.14 0.00 -0.27 0.00 0.00 57.70 55.19 2kjz n MET 99 Cb 0.45 2.27 0.39 0.00 2.15 0.00 0.00 33.22 38.48 2kjz n MET 99 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 2kjz h GLU 100 N 0.00 0.63 -0.61 2.12 4.57 -2.03 -2.27 114.58 117.00 2kjz h GLU 100 Ca -0.22 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2kjz h GLU 100 Cb 1.00 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2kjz h GLU 100 CO 0.31 0.42 0.00 1.19 -1.18 0.00 0.00 179.01 179.75 2kjz n PHE 101 N -4.59 0.81 0.00 0.92 3.72 -1.26 -5.05 117.46 112.01 2kjz n PHE 101 Ca 0.19 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2kjz n PHE 101 Cb 0.54 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 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 1.50 0.16 3.60 1.37 0.00 -0.85 -4.29 105.19 106.67 2kjz n GLY 102 Ca 0.22 -2.25 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 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 0.00 2.73 0.04 1.61 5.04 -0.08 -0.81 117.35 125.87 2kjz s TYR 103 Ca 0.00 0.67 0.02 0.00 -2.44 0.00 0.00 57.07 55.32 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 -1.41 0.07 -0.08 -1.34 0.00 0.00 175.55 172.78 2kjz s THR 104 N 4.67 4.55 -0.20 4.34 -1.32 -0.15 -0.83 115.64 126.71 2kjz s THR 104 Ca 0.49 -0.62 -0.16 0.00 -1.21 0.00 0.00 61.69 60.20 2kjz s THR 104 Cb -0.08 -3.13 0.06 0.00 -1.51 0.00 0.00 72.50 67.84 2kjz s THR 104 CO 0.31 0.24 0.52 0.12 -2.21 0.00 0.00 174.62 173.60 2kjz s PHE 105 N -1.28 -0.64 -0.05 9.09 5.36 -0.12 -1.73 117.98 128.61 2kjz s PHE 105 Ca 0.26 1.47 -0.01 0.00 -0.96 0.00 0.00 56.93 57.69 2kjz s PHE 105 Cb -0.12 0.27 0.03 0.00 -0.34 0.00 0.00 43.02 42.86 2kjz s PHE 105 CO 0.17 -0.32 0.02 0.99 -1.46 0.00 0.00 175.22 174.62 2kjz s THR 106 N 0.72 0.15 -0.08 0.12 2.01 -1.26 -0.00 115.64 117.30 2kjz s THR 106 Ca -0.04 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 2kjz s THR 106 Cb -0.05 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 2kjz s THR 106 CO -0.05 0.19 -0.03 0.00 -0.69 0.00 0.00 174.62 174.04 2kjz s ALA 107 N 1.69 3.16 -0.17 7.40 0.00 -0.48 -3.97 121.76 129.39 2kjz s ALA 107 Ca -0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2kjz s ALA 107 Cb -0.13 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 2kjz s ALA 107 CO -0.03 0.58 -0.07 0.00 0.00 0.00 0.00 175.76 176.24 2kjz s ALA 108 N -0.85 2.81 1.03 0.00 0.00 -1.26 -2.08 121.76 121.41 2kjz s ALA 108 Ca 0.13 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 2kjz s ALA 108 Cb -0.11 -1.48 0.24 0.00 0.00 0.00 0.00 23.12 21.76 2kjz s ALA 108 CO 0.02 0.02 1.32 0.16 0.00 0.00 0.00 175.76 177.28 2kjz s ASP 109 N 0.71 2.50 0.34 0.00 -4.77 -1.26 -0.49 116.67 113.69 2kjz s ASP 109 Ca -0.03 0.20 0.14 0.00 -3.30 0.00 0.00 52.55 49.55 2kjz s ASP 109 Cb -0.15 -0.17 1.06 0.00 -1.09 0.00 0.00 42.92 42.58 2kjz s ASP 109 CO 0.02 -3.11 1.66 -0.65 0.70 0.00 0.00 175.17 173.78 2kjz h PRO 110 N -1.91 0.29 0.00 2.11 0.11 -1.94 0.11 132.00 130.77 2kjz h PRO 110 Ca -0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2kjz h PRO 110 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kjz h PRO 110 CO 0.31 0.19 -0.13 0.22 -0.21 0.00 0.00 178.00 178.38 2kjz h ASP 111 N 0.29 0.00 -3.85 -2.05 1.82 -1.97 -3.48 116.42 107.17 2kjz h ASP 111 Ca 0.72 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.36 2kjz h ASP 111 Cb 1.65 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.66 2kjz h ASP 111 CO -0.62 0.13 -0.09 -1.20 -1.61 0.00 0.00 179.24 175.85 2kjz n SER 112 N -3.20 -4.15 -2.47 2.28 7.64 0.02 -4.66 113.62 109.08 2kjz n SER 112 Ca 0.01 0.08 -0.04 0.00 1.01 0.00 0.00 58.87 59.94 2kjz n SER 112 Cb 0.46 -2.60 0.01 0.00 -1.01 0.00 0.00 64.21 61.07 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 -0.88 -2.29 -3.99 1.43 -0.00 -1.26 -1.23 115.22 106.99 2kjz n HIS 113 Ca 0.02 -0.36 -0.31 0.00 -0.00 0.00 0.00 57.72 57.08 2kjz n HIS 113 Cb 0.34 -0.08 -0.15 0.00 -0.00 0.00 0.00 29.99 30.10 2kjz n HIS 113 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2kjz s ARG 114 N -2.40 1.62 -0.46 -0.41 1.81 -1.26 -4.15 118.95 113.69 2kjz s ARG 114 Ca 0.08 -2.10 -0.07 0.00 -1.72 0.00 0.00 55.73 51.92 2kjz s ARG 114 Cb -0.01 -3.22 0.12 0.00 -0.45 0.00 0.00 34.95 31.40 2kjz s ARG 114 CO 0.05 -1.00 0.31 -0.51 -0.68 0.00 0.00 175.30 173.47 2kjz s LEU 115 N 0.53 5.53 -0.71 2.53 1.43 -0.88 -0.86 118.68 126.25 2kjz s LEU 115 Ca 0.13 -2.02 -0.17 0.00 -1.03 0.00 0.00 54.13 51.04 2kjz s LEU 115 Cb -0.21 -1.94 0.15 0.00 0.03 0.00 0.00 46.19 44.22 2kjz s LEU 115 CO -0.06 -0.62 0.76 -0.60 0.23 0.00 0.00 176.35 176.06 2kjz s ARG 116 N 1.18 3.31 0.01 1.70 3.00 0.13 -1.38 118.95 126.91 2kjz s ARG 116 Ca 0.07 -1.83 -0.24 0.00 -1.00 0.00 0.00 55.73 52.74 2kjz s ARG 116 Cb -0.24 -4.43 -0.05 0.00 0.00 0.00 0.00 34.95 30.23 2kjz s ARG 116 CO -0.02 -1.46 0.73 0.08 0.00 0.00 0.00 175.30 174.62 2kjz s VAL 117 N 1.69 4.83 0.34 7.11 1.01 1.00 -0.54 120.40 135.85 2kjz s VAL 117 Ca 0.16 1.53 0.05 0.00 0.00 0.00 0.00 61.98 63.72 2kjz s VAL 117 Cb -0.17 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2kjz s VAL 117 CO -0.02 0.34 0.22 -0.72 0.00 0.00 0.00 175.10 174.92 2kjz s TYR 118 N 0.13 1.71 -0.18 5.22 1.13 -1.06 -0.95 117.35 123.35 2kjz s TYR 118 Ca 0.37 -1.52 -0.04 0.00 -1.41 0.00 0.00 57.07 54.48 2kjz s TYR 118 Cb -0.19 -0.84 0.08 0.00 -1.10 0.00 0.00 41.96 39.90 2kjz s TYR 118 CO 0.21 -0.67 0.20 0.00 -2.51 0.00 0.00 175.55 172.78 2kjz s ALA 119 N -3.44 -0.17 -0.26 9.51 0.00 -0.01 -3.85 121.76 123.55 2kjz s ALA 119 Ca 0.35 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.31 2kjz s ALA 119 Cb 0.03 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.95 2kjz s ALA 119 CO 0.22 -1.09 0.85 0.12 0.00 0.00 0.00 175.76 175.87 2kjz s PHE 120 N 2.30 3.28 -0.66 0.00 2.19 -1.26 -0.90 117.98 122.93 2kjz s PHE 120 Ca 0.05 1.10 -0.27 0.00 0.33 0.00 0.00 56.93 58.15 2kjz s PHE 120 Cb -0.15 -3.14 0.00 0.00 -1.31 0.00 0.00 43.02 38.42 2kjz s PHE 120 CO -0.11 -0.46 1.58 0.00 1.83 0.00 0.00 175.22 178.06 2kjz s ALA 121 N 2.95 2.47 0.00 11.12 0.00 -1.26 -5.02 121.76 132.02 2kjz s ALA 121 Ca 0.36 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2kjz s ALA 121 Cb -0.15 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.70 2kjz s ALA 121 CO 0.09 -3.55 0.00 0.41 0.00 0.00 0.00 175.76 172.70