#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjz s THR 2 N 0.00 0.14 0.06 3.17 2.01 -1.26 -5.16 115.64 114.60 2kjz s THR 2 Ca 0.00 -0.08 0.05 0.00 0.31 0.00 0.00 61.69 61.97 2kjz s THR 2 Cb 0.00 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.36 2kjz s THR 2 CO 0.00 0.04 -0.14 -1.00 -0.69 0.00 0.00 174.62 172.83 2kjz s HIS 3 N -0.05 1.18 0.19 4.92 0.09 -1.26 -5.16 115.29 115.21 2kjz s HIS 3 Ca 0.01 -0.41 -0.20 0.00 -0.00 0.00 0.00 55.06 54.46 2kjz s HIS 3 Cb -0.01 -0.68 -0.08 0.00 -0.00 0.00 0.00 32.58 31.81 2kjz s HIS 3 CO -0.00 0.04 0.69 -1.25 -0.00 0.00 0.00 174.74 174.22 2kjz s PRO 4 N -1.45 4.26 0.00 8.40 0.04 -1.26 -4.95 135.00 140.04 2kjz s PRO 4 Ca -0.01 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2kjz s PRO 4 Cb -0.09 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2kjz s PRO 4 CO 0.02 0.46 0.88 -3.47 0.04 0.00 0.00 177.00 174.92 2kjz n ASP 5 N 0.97 0.00 -3.88 6.66 2.03 -1.26 -5.09 116.55 115.98 2kjz n ASP 5 Ca -0.04 -1.77 -0.11 0.00 0.52 0.00 0.00 54.79 53.39 2kjz n ASP 5 Cb 0.51 -0.15 -0.11 0.00 -0.72 0.00 0.00 41.12 40.65 2kjz n ASP 5 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2kjz s PHE 6 N 0.00 0.04 -0.16 -0.67 5.36 -1.26 -3.33 117.98 117.97 2kjz s PHE 6 Ca 0.00 -0.11 -0.14 0.00 -0.96 0.00 0.00 56.93 55.72 2kjz s PHE 6 Cb 0.00 -0.05 0.04 0.00 -0.34 0.00 0.00 43.02 42.67 2kjz s PHE 6 CO 0.00 -0.23 0.42 -0.08 -1.46 0.00 0.00 175.22 173.87 2kjz s THR 7 N -1.13 -0.00 -0.03 0.12 -1.32 -0.96 -5.01 115.64 107.31 2kjz s THR 7 Ca -0.12 0.01 0.06 0.00 -1.21 0.00 0.00 61.69 60.42 2kjz s THR 7 Cb -0.07 -0.59 -0.01 0.00 -1.51 0.00 0.00 72.50 70.32 2kjz s THR 7 CO 0.01 0.00 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.59 2kjz s ILE 8 N 0.32 1.67 -0.19 5.08 1.01 -1.26 -1.55 121.20 126.27 2kjz s ILE 8 Ca -0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 2kjz s ILE 8 Cb -0.03 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 2kjz s ILE 8 CO -0.00 0.47 0.14 -0.76 0.00 0.00 0.00 174.94 174.79 2kjz s LEU 9 N -0.27 4.22 -0.35 2.97 2.01 -0.85 -4.92 118.68 121.48 2kjz s LEU 9 Ca 0.02 0.26 -0.29 0.00 0.01 0.00 0.00 54.13 54.14 2kjz s LEU 9 Cb -0.10 -2.11 0.02 0.00 0.01 0.00 0.00 46.19 44.00 2kjz s LEU 9 CO 0.01 0.18 1.07 -0.31 1.01 0.00 0.00 176.35 178.31 2kjz s TYR 10 N 0.34 3.09 0.28 0.29 2.02 -1.26 -1.84 117.35 120.27 2kjz s TYR 10 Ca 0.09 1.08 0.10 0.00 -0.37 0.00 0.00 57.07 57.96 2kjz s TYR 10 Cb -0.11 -3.81 -0.04 0.00 -0.40 0.00 0.00 41.96 37.59 2kjz s TYR 10 CO -0.01 -0.85 -0.02 0.14 -1.57 0.00 0.00 175.55 173.23 2kjz s VAL 11 N 3.77 3.22 -0.17 0.71 -7.23 -0.79 -4.80 120.40 115.10 2kjz s VAL 11 Ca 0.45 -1.97 -0.15 0.00 -1.81 0.00 0.00 61.98 58.50 2kjz s VAL 11 Cb -0.11 -2.78 -0.06 0.00 0.56 0.00 0.00 36.38 33.99 2kjz s VAL 11 CO 0.18 -0.35 -0.29 -0.67 -0.31 0.00 0.00 175.10 173.66 2kjz n ASP 12 N -0.88 1.90 -4.34 4.85 2.03 -1.26 -1.17 116.55 117.68 2kjz n ASP 12 Ca -0.06 0.42 -0.45 0.00 0.52 0.00 0.00 54.79 55.22 2kjz n ASP 12 Cb 0.60 -0.79 -0.05 0.00 -0.72 0.00 0.00 41.12 40.16 2kjz n ASP 12 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kjz s ASN 13 N -5.96 6.18 0.16 1.67 2.47 -1.26 -4.71 114.94 113.50 2kjz s ASN 13 Ca -0.26 -1.62 -0.20 0.00 0.42 0.00 0.00 52.86 51.20 2kjz s ASN 13 Cb 0.04 -2.23 0.06 0.00 -1.45 0.00 0.00 41.25 37.67 2kjz s ASN 13 CO 0.38 -0.90 1.64 -0.65 -3.72 0.00 0.00 177.10 173.85 2kjz h PRO 14 N 8.95 -0.15 -0.02 0.43 0.11 -1.95 -2.32 132.00 137.06 2kjz h PRO 14 Ca -0.30 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.83 2kjz h PRO 14 Cb 1.10 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2kjz h PRO 14 CO 1.04 -0.10 -0.02 -1.00 -0.21 0.00 0.00 178.00 177.71 2kjz h PRO 15 N -0.15 -0.03 -0.06 1.05 0.13 -1.98 -2.44 132.00 128.52 2kjz h PRO 15 Ca 0.17 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.08 2kjz h PRO 15 Cb 0.41 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.55 2kjz h PRO 15 CO -0.42 -0.02 -0.86 0.00 -0.23 0.00 0.00 178.00 176.48 2kjz h ALA 16 N 0.99 0.38 0.04 -0.56 0.00 -1.98 -2.56 119.26 115.56 2kjz h ALA 16 Ca 0.02 -0.65 -0.24 0.00 0.00 0.00 0.00 54.91 54.03 2kjz h ALA 16 Cb 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kjz h ALA 16 CO -0.04 0.75 -1.03 0.66 0.00 0.00 0.00 179.25 179.59 2kjz h SER 17 N 0.35 0.56 -0.45 0.00 4.64 -1.47 -2.00 113.55 115.18 2kjz h SER 17 Ca -0.07 -0.48 -0.04 0.00 -0.47 0.00 0.00 61.79 60.73 2kjz h SER 17 Cb 1.48 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2kjz h SER 17 CO 0.16 1.30 0.11 0.74 -0.87 0.00 0.00 176.83 178.27 2kjz h THR 18 N 0.21 1.23 -0.35 2.95 2.02 -1.39 -0.90 112.91 116.68 2kjz h THR 18 Ca -0.10 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 2kjz h THR 18 Cb 1.69 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 2kjz h THR 18 CO 0.18 0.28 -0.06 1.56 0.37 0.00 0.00 175.52 177.86 2kjz h GLN 19 N 0.59 0.58 -0.45 6.66 4.20 -1.51 -1.10 115.11 124.08 2kjz h GLN 19 Ca 0.14 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 2kjz h GLN 19 Cb 0.31 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2kjz h GLN 19 CO 0.00 0.64 0.00 0.35 -0.67 0.00 0.00 178.83 179.16 2kjz h PHE 20 N 0.54 0.85 0.00 2.96 3.57 -0.98 -2.29 116.94 121.60 2kjz h PHE 20 Ca 0.11 -0.15 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 2kjz h PHE 20 Cb 0.43 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2kjz h PHE 20 CO 0.02 0.83 -0.42 1.88 -2.23 0.00 0.00 178.31 178.39 2kjz h TYR 21 N 0.63 0.00 -0.10 0.41 -1.99 -0.96 -1.55 116.97 113.41 2kjz h TYR 21 Ca 0.13 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.88 2kjz h TYR 21 Cb 0.49 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.19 2kjz h TYR 21 CO 0.04 0.42 -0.07 0.87 -0.00 0.00 0.00 178.16 179.42 2kjz h LYS 22 N 0.00 -0.07 -0.01 4.88 1.57 -0.62 -1.36 116.57 120.95 2kjz h LYS 22 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2kjz h LYS 22 Cb 0.83 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2kjz h LYS 22 CO 0.05 -0.05 -0.88 0.00 -0.57 0.00 0.00 179.45 178.01 2kjz h ALA 23 N 1.01 0.47 -0.67 3.86 0.00 -1.51 -0.61 119.26 121.82 2kjz h ALA 23 Ca 0.06 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2kjz h ALA 23 Cb 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2kjz h ALA 23 CO -0.14 0.84 0.35 1.25 0.00 0.00 0.00 179.25 181.56 2kjz h LEU 24 N 0.19 0.84 0.09 0.00 5.85 -1.02 -3.12 115.31 118.14 2kjz h LEU 24 Ca -0.06 -0.10 -0.33 0.00 0.84 0.00 0.00 57.88 58.23 2kjz h LEU 24 Cb 1.50 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 2kjz h LEU 24 CO 0.14 0.71 -1.78 0.18 -0.34 0.00 0.00 178.44 177.35 2kjz n LEU 25 N -4.51 2.41 0.00 2.25 4.77 -0.54 -5.02 117.00 116.37 2kjz n LEU 25 Ca 0.05 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2kjz n LEU 25 Cb 0.10 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2kjz n LEU 25 CO 0.38 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 2kjz n GLY 26 N 1.82 1.87 3.42 -0.72 0.00 -0.46 -5.11 105.19 106.01 2kjz n GLY 26 Ca -0.32 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 2kjz n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kjz s VAL 27 N -2.00 0.67 0.11 1.61 -7.23 -0.36 -5.00 120.40 108.20 2kjz s VAL 27 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2kjz s VAL 27 Cb 0.00 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2kjz s VAL 27 CO 0.00 0.00 -0.21 1.51 -0.31 0.00 0.00 175.10 176.09 2kjz s ASP 28 N -3.47 2.58 -0.11 4.85 -4.77 -1.26 -4.33 116.67 110.15 2kjz s ASP 28 Ca 0.32 -0.70 -0.29 0.00 -3.30 0.00 0.00 52.55 48.58 2kjz s ASP 28 Cb 0.06 -0.14 -0.04 0.00 -1.09 0.00 0.00 42.92 41.70 2kjz s ASP 28 CO 0.15 0.06 1.64 -2.84 0.70 0.00 0.00 175.17 174.89 2kjz s PRO 29 N -1.95 4.03 0.20 2.11 0.02 -1.26 -4.76 135.00 133.38 2kjz s PRO 29 Ca 0.07 2.00 -0.08 0.00 0.02 0.00 0.00 61.00 63.01 2kjz s PRO 29 Cb -0.10 -4.00 0.11 0.00 0.02 0.00 0.00 34.50 30.53 2kjz s PRO 29 CO 0.04 -1.02 1.71 -0.24 -0.33 0.00 0.00 177.00 177.16 2kjz h VAL 30 N 5.79 1.26 -4.00 3.83 3.04 -1.39 -3.44 116.25 121.34 2kjz h VAL 30 Ca -0.37 -1.00 -0.69 0.00 -1.01 0.00 0.00 66.70 63.63 2kjz h VAL 30 Cb 1.17 0.56 -0.23 0.00 -2.01 0.00 0.00 31.29 30.78 2kjz h VAL 30 CO 0.97 0.38 -0.84 -1.61 -1.01 0.00 0.00 177.57 175.47 2kjz s GLU 31 N -5.27 1.82 -0.06 4.17 0.41 -0.80 -5.03 118.70 113.94 2kjz s GLU 31 Ca -0.12 -1.12 -0.04 0.00 -0.41 0.00 0.00 54.97 53.28 2kjz s GLU 31 Cb 0.15 -2.07 0.03 0.00 -1.78 0.00 0.00 34.13 30.46 2kjz s GLU 31 CO 0.85 0.51 0.15 -1.54 -0.49 0.00 0.00 175.26 174.73 2kjz s SER 32 N -1.63 -0.13 0.06 -0.19 1.04 -1.26 -1.46 113.70 110.13 2kjz s SER 32 Ca 0.14 0.30 -0.07 0.00 0.48 0.00 0.00 55.95 56.80 2kjz s SER 32 Cb -0.10 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 2kjz s SER 32 CO 0.05 -0.10 0.14 -0.44 0.98 0.00 0.00 173.24 173.88 2kjz s SER 33 N 0.59 0.16 0.55 7.02 0.01 0.67 -5.01 113.70 117.69 2kjz s SER 33 Ca -0.04 -0.59 0.30 0.00 1.31 0.00 0.00 55.95 56.92 2kjz s SER 33 Cb -0.06 0.28 1.46 0.00 0.21 0.00 0.00 66.02 67.92 2kjz s SER 33 CO -0.03 -0.62 1.91 1.55 0.41 0.00 0.00 173.24 176.47 2kjz h PRO 34 N 3.20 0.00 0.00 12.44 0.13 -2.02 -2.55 132.00 143.20 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kjz h PRO 34 CO 0.54 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 175.94 2kjz n THR 35 N -4.15 0.39 -3.70 1.56 5.66 -1.26 -5.02 114.28 107.76 2kjz n THR 35 Ca 0.14 -0.57 -0.10 0.00 -3.05 0.00 0.00 64.05 60.47 2kjz n THR 35 Cb 0.82 0.92 -0.11 0.00 -1.55 0.00 0.00 70.33 70.41 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 -0.39 -0.60 -0.10 1.09 2.19 -0.96 -1.39 117.98 117.81 2kjz s PHE 36 Ca 0.00 1.29 0.03 0.00 0.33 0.00 0.00 56.93 58.58 2kjz s PHE 36 Cb 0.00 0.27 -0.01 0.00 -1.31 0.00 0.00 43.02 41.97 2kjz s PHE 36 CO 0.00 -0.34 -0.20 -1.12 1.83 0.00 0.00 175.22 175.39 2kjz s SER 37 N 1.38 3.46 -0.07 6.13 0.01 -0.55 -0.24 113.70 123.82 2kjz s SER 37 Ca -0.09 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.75 2kjz s SER 37 Cb -0.08 -1.41 -0.00 0.00 0.21 0.00 0.00 66.02 64.74 2kjz s SER 37 CO -0.13 0.18 -0.22 -0.22 0.41 0.00 0.00 173.24 173.26 2kjz s LEU 38 N 0.25 2.00 0.03 2.44 0.20 -0.53 -0.64 118.68 122.44 2kjz s LEU 38 Ca -0.13 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.21 2kjz s LEU 38 Cb -0.17 -1.26 -0.02 0.00 -0.43 0.00 0.00 46.19 44.31 2kjz s LEU 38 CO 0.07 0.17 -0.05 0.72 -0.29 0.00 0.00 176.35 176.97 2kjz s PHE 39 N 0.18 0.45 -0.05 5.38 -0.12 -0.89 -0.90 117.98 122.04 2kjz s PHE 39 Ca -0.12 -0.55 0.02 0.00 -0.05 0.00 0.00 56.93 56.24 2kjz s PHE 39 Cb -0.15 -0.29 0.01 0.00 -0.63 0.00 0.00 43.02 41.95 2kjz s PHE 39 CO 0.06 -0.15 -0.11 0.54 -0.05 0.00 0.00 175.22 175.51 2kjz s VAL 40 N -1.57 0.96 0.42 -2.49 0.11 -1.26 -1.58 120.40 114.98 2kjz s VAL 40 Ca -0.12 -0.41 -0.09 0.00 -2.93 0.00 0.00 61.98 58.43 2kjz s VAL 40 Cb -0.09 -0.87 -0.06 0.00 -1.53 0.00 0.00 36.38 33.83 2kjz s VAL 40 CO -0.01 0.30 0.77 -0.76 -3.33 0.00 0.00 175.10 172.07 2kjz s LEU 41 N 0.46 3.79 0.40 2.54 1.43 -0.50 -4.97 118.68 121.83 2kjz s LEU 41 Ca -0.09 1.08 0.29 0.00 -1.03 0.00 0.00 54.13 54.38 2kjz s LEU 41 Cb -0.13 -3.97 1.26 0.00 0.03 0.00 0.00 46.19 43.38 2kjz s LEU 41 CO 0.02 -0.43 1.86 0.00 0.23 0.00 0.00 176.35 178.02 2kjz h ALA 42 N 1.04 1.00 0.00 4.21 0.00 -2.00 -2.08 119.26 121.43 2kjz h ALA 42 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kjz h ALA 42 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kjz h ALA 42 CO 0.63 0.00 0.00 -0.91 0.00 0.00 0.00 179.25 178.97 2kjz h ASN 43 N 0.00 0.00 0.00 0.00 4.21 -2.04 -3.47 115.58 114.28 2kjz h ASN 43 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kjz h ASN 43 Cb 0.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 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 0.57 2.91 3.90 2.83 0.00 -0.78 -5.09 105.19 109.53 2kjz n GLY 44 Ca 0.03 0.00 -0.29 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 -0.56 2.26 -0.00 1.61 0.23 -1.26 -4.85 119.30 116.72 2kjz s MET 45 Ca 0.00 0.12 0.02 0.00 -1.03 0.00 0.00 55.69 54.80 2kjz s MET 45 Cb 0.00 -2.03 -0.01 0.00 -1.53 0.00 0.00 34.83 31.27 2kjz s MET 45 CO 0.00 -1.35 -0.08 0.21 -2.03 0.00 0.00 175.02 171.77 2kjz s LYS 46 N -5.43 0.65 -0.07 3.16 2.20 -1.21 -1.42 119.74 117.62 2kjz s LYS 46 Ca 0.60 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.92 2kjz s LYS 46 Cb -0.11 -0.63 0.02 0.00 -1.51 0.00 0.00 37.83 35.60 2kjz s LYS 46 CO 0.49 0.17 -0.07 -0.51 -0.36 0.00 0.00 175.35 175.06 2kjz s LEU 47 N -0.22 1.32 0.38 5.43 1.43 -0.61 -2.26 118.68 124.15 2kjz s LEU 47 Ca 0.03 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 2kjz s LEU 47 Cb -0.03 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 2kjz s LEU 47 CO -0.00 -0.05 0.45 -0.83 0.23 0.00 0.00 176.35 176.14 2kjz s GLY 48 N 1.13 1.88 -0.20 -3.19 0.00 -0.59 -2.09 107.32 104.26 2kjz s GLY 48 Ca -0.07 -1.67 -0.04 0.00 0.00 0.00 0.00 44.72 42.95 2kjz s GLY 48 CO -0.01 -1.53 0.07 1.08 0.00 0.00 0.00 173.10 172.71 2kjz s LEU 49 N -4.19 0.78 -0.27 0.66 1.43 0.19 -2.01 118.68 115.26 2kjz s LEU 49 Ca 0.48 -0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 2kjz s LEU 49 Cb -0.07 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 2kjz s LEU 49 CO 0.30 -0.35 0.11 0.86 0.23 0.00 0.00 176.35 177.51 2kjz s TRP 50 N 2.00 3.13 -0.01 0.29 -0.11 -0.76 -1.48 118.94 122.00 2kjz s TRP 50 Ca 0.02 -0.41 -0.30 0.00 1.22 0.00 0.00 56.10 56.63 2kjz s TRP 50 Cb -0.16 -2.29 -0.04 0.00 -1.50 0.00 0.00 33.47 29.47 2kjz s TRP 50 CO -0.12 -0.37 1.16 -1.54 -4.62 0.00 0.00 176.95 171.46 2kjz s SER 51 N 1.63 7.12 0.00 5.86 1.04 -0.49 -1.88 113.70 126.98 2kjz s SER 51 Ca 0.06 1.85 0.23 0.00 0.48 0.00 0.00 55.95 58.57 2kjz s SER 51 Cb -0.16 -2.57 1.26 0.00 0.10 0.00 0.00 66.02 64.65 2kjz s SER 51 CO 0.05 -0.49 1.73 -2.11 0.98 0.00 0.00 173.24 173.41 2kjz n ARG 52 N 4.53 0.55 0.24 4.02 1.85 -0.32 -3.44 116.66 124.09 2kjz n ARG 52 Ca 0.09 0.03 0.16 0.00 -1.00 0.00 0.00 57.85 57.14 2kjz n ARG 52 Cb 0.47 -1.50 0.65 0.00 -1.05 0.00 0.00 32.46 31.03 2kjz n ARG 52 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 177.63 178.74 2kjz h HIS 53 N 0.00 0.00 0.00 2.89 2.07 -1.88 -3.25 115.15 114.98 2kjz h HIS 53 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2kjz h HIS 53 Cb 0.09 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.02 2kjz h HIS 53 CO 0.00 0.00 -0.38 -2.37 -3.07 0.00 0.00 177.93 172.11 2kjz n THR 54 N -2.87 0.00 -1.73 6.12 5.66 -1.22 -5.10 114.28 115.13 2kjz n THR 54 Ca 0.01 -0.11 -0.38 0.00 -3.05 0.00 0.00 64.05 60.52 2kjz n THR 54 Cb 0.28 0.39 0.05 0.00 -1.55 0.00 0.00 70.33 69.49 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 0.05 4.05 -3.98 1.08 3.14 -1.23 -4.95 118.33 116.50 2kjz n VAL 55 Ca -0.01 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.56 2kjz n VAL 55 Cb 0.68 -1.59 -0.16 0.00 -1.06 0.00 0.00 33.84 31.71 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 -2.96 1.90 0.33 1.45 2.02 -1.26 -1.83 118.70 118.35 2kjz s GLU 56 Ca 0.74 -0.87 -0.26 0.00 0.02 0.00 0.00 54.97 54.60 2kjz s GLU 56 Cb -0.41 -2.44 -0.10 0.00 0.10 0.00 0.00 34.13 31.29 2kjz s GLU 56 CO 0.47 -0.47 0.99 -1.25 0.02 0.00 0.00 175.26 175.02 2kjz s PRO 57 N 1.40 4.51 -0.11 0.39 0.05 -1.26 -5.10 135.00 134.88 2kjz s PRO 57 Ca -0.02 1.44 -0.34 0.00 0.05 0.00 0.00 61.00 62.12 2kjz s PRO 57 Cb -0.17 -2.81 -0.12 0.00 0.05 0.00 0.00 34.50 31.45 2kjz s PRO 57 CO -0.08 0.19 1.89 1.63 0.05 0.00 0.00 177.00 180.68 2kjz n LYS 58 N 0.54 2.10 -3.51 4.56 4.76 -0.76 -4.97 118.16 120.88 2kjz n LYS 58 Ca 0.02 0.76 -0.20 0.00 -2.87 0.00 0.00 58.31 56.02 2kjz n LYS 58 Cb 0.49 -2.62 -0.13 0.00 -1.84 0.00 0.00 35.03 30.92 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 4.23 -0.12 -1.11 7.82 0.00 -1.26 -5.07 121.76 126.24 2kjz s ALA 59 Ca 0.94 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.80 2kjz s ALA 59 Cb -0.71 -1.31 0.18 0.00 0.00 0.00 0.00 23.12 21.27 2kjz s ALA 59 CO 0.52 -1.26 1.29 -1.12 0.00 0.00 0.00 175.76 175.19 2kjz s SER 60 N 2.28 6.99 -0.22 0.00 0.01 -1.26 -4.83 113.70 116.67 2kjz s SER 60 Ca 0.06 -2.85 -0.13 0.00 1.31 0.00 0.00 55.95 54.34 2kjz s SER 60 Cb -0.16 -2.37 0.07 0.00 0.21 0.00 0.00 66.02 63.77 2kjz s SER 60 CO -0.14 -0.75 0.54 0.68 0.41 0.00 0.00 173.24 173.98 2kjz s VAL 61 N 1.39 -0.01 -0.11 3.43 -7.23 -1.26 -5.16 120.40 111.45 2kjz s VAL 61 Ca 0.38 0.04 -0.04 0.00 -1.81 0.00 0.00 61.98 60.55 2kjz s VAL 61 Cb -0.05 -0.79 0.05 0.00 0.56 0.00 0.00 36.38 36.16 2kjz s VAL 61 CO -0.04 0.02 0.22 0.42 -0.31 0.00 0.00 175.10 175.41 2kjz s THR 62 N 1.36 -0.28 0.00 5.32 -4.23 -1.26 -4.93 115.64 111.61 2kjz s THR 62 Ca -0.09 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 2kjz s THR 62 Cb -0.06 -0.37 0.00 0.00 1.34 0.00 0.00 72.50 73.41 2kjz s THR 62 CO -0.14 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2kjz n GLY 63 N 5.09 -1.01 0.00 3.99 0.00 -1.23 -4.66 105.19 107.37 2kjz n GLY 63 Ca -0.10 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 1.15 3.17 -0.02 0.00 -1.26 -2.42 105.19 105.81 2kjz n GLY 64 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 5.00 1.93 3.31 -0.02 0.00 -1.26 -4.85 105.19 109.31 2kjz n GLY 65 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.06 -0.35 0.36 -0.02 0.00 -1.26 -5.18 107.32 100.80 2kjz s GLY 66 Ca 0.00 1.52 0.08 0.00 0.00 0.00 0.00 44.72 46.32 2kjz s GLY 66 CO 0.00 1.58 0.30 -1.83 0.00 0.00 0.00 173.10 173.16 2kjz s GLU 67 N 1.13 2.64 -0.34 2.90 -1.05 -1.26 -4.56 118.70 118.16 2kjz s GLU 67 Ca -0.07 -1.39 -0.01 0.00 -0.15 0.00 0.00 54.97 53.35 2kjz s GLU 67 Cb -0.07 -2.42 0.08 0.00 -0.44 0.00 0.00 34.13 31.28 2kjz s GLU 67 CO -0.10 0.02 0.06 -1.17 0.95 0.00 0.00 175.26 175.02 2kjz s LEU 68 N -4.02 4.41 -0.35 1.83 0.20 -0.50 -4.98 118.68 115.28 2kjz s LEU 68 Ca 0.43 -1.63 -0.20 0.00 0.69 0.00 0.00 54.13 53.42 2kjz s LEU 68 Cb -0.05 -1.73 -0.00 0.00 -0.43 0.00 0.00 46.19 43.98 2kjz s LEU 68 CO 0.27 -0.36 0.59 0.00 -0.29 0.00 0.00 176.35 176.56 2kjz s ALA 69 N 1.17 3.47 -0.34 5.97 0.00 -1.26 -0.93 121.76 129.84 2kjz s ALA 69 Ca 0.01 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 2kjz s ALA 69 Cb -0.21 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 2kjz s ALA 69 CO -0.03 -1.26 0.39 -0.06 0.00 0.00 0.00 175.76 174.80 2kjz s PHE 70 N 2.59 3.21 -0.15 0.00 0.40 0.09 -4.99 117.98 119.12 2kjz s PHE 70 Ca 0.23 0.06 -0.13 0.00 -0.60 0.00 0.00 56.93 56.48 2kjz s PHE 70 Cb -0.15 -2.70 -0.05 0.00 0.51 0.00 0.00 43.02 40.63 2kjz s PHE 70 CO 0.14 -0.43 0.28 1.03 0.70 0.00 0.00 175.22 176.94 2kjz s ARG 71 N 2.08 4.19 0.30 0.44 0.52 -1.26 -2.50 118.95 122.73 2kjz s ARG 71 Ca 0.13 0.08 0.06 0.00 -0.52 0.00 0.00 55.73 55.48 2kjz s ARG 71 Cb -0.16 -3.40 -0.06 0.00 0.52 0.00 0.00 34.95 31.84 2kjz s ARG 71 CO 0.12 0.29 -0.04 0.14 0.02 0.00 0.00 175.30 175.83 2kjz s VAL 72 N 0.31 1.62 0.16 3.52 -7.23 -1.21 -5.02 120.40 112.55 2kjz s VAL 72 Ca 0.16 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 2kjz s VAL 72 Cb -0.13 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.31 2kjz s VAL 72 CO 0.04 -0.23 1.65 1.05 -0.31 0.00 0.00 175.10 177.30 2kjz h GLU 73 N 2.21 0.94 0.00 4.82 4.11 -1.97 -3.42 114.58 121.27 2kjz h GLU 73 Ca -0.40 -0.27 0.14 0.00 0.07 0.00 0.00 59.36 58.90 2kjz h GLU 73 Cb 1.24 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2kjz h GLU 73 CO 0.69 0.92 0.52 0.27 0.07 0.00 0.00 179.01 181.47 2kjz n ASN 74 N -4.32 -1.53 0.19 3.06 0.23 -1.26 -4.84 115.26 106.79 2kjz n ASN 74 Ca 0.02 -1.81 0.10 0.00 -0.53 0.00 0.00 54.58 52.36 2kjz n ASN 74 Cb 0.29 2.49 0.63 0.00 -2.08 0.00 0.00 39.78 41.11 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 1.74 0.03 -0.33 0.53 2.03 -1.92 -1.69 116.42 116.81 2kjz h ASP 75 Ca -0.24 -0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.03 2kjz h ASP 75 Cb 1.06 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 2kjz h ASP 75 CO 0.32 0.02 0.09 0.00 -1.03 0.00 0.00 179.24 178.65 2kjz h ALA 76 N 1.93 0.43 0.00 4.15 0.00 -1.99 -2.65 119.26 121.13 2kjz h ALA 76 Ca 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2kjz h ALA 76 Cb 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kjz h ALA 76 CO -0.00 0.08 -0.09 1.96 0.00 0.00 0.00 179.25 181.20 2kjz h GLN 77 N 0.37 0.00 -0.26 0.00 1.08 -1.73 -1.11 115.11 113.46 2kjz h GLN 77 Ca 0.10 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 2kjz h GLN 77 Cb 0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2kjz h GLN 77 CO -0.00 0.09 -0.09 0.28 -0.95 0.00 0.00 178.83 178.16 2kjz h VAL 78 N 0.00 1.29 -0.07 -0.54 2.07 -1.41 -2.56 116.25 115.03 2kjz h VAL 78 Ca -0.00 -1.13 -0.13 0.00 0.82 0.00 0.00 66.70 66.26 2kjz h VAL 78 Cb 0.44 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2kjz h VAL 78 CO 0.01 0.36 -0.55 -0.78 0.02 0.00 0.00 177.57 176.62 2kjz h ASP 79 N 0.27 0.22 -0.40 0.57 3.58 -1.11 -0.66 116.42 118.89 2kjz h ASP 79 Ca 0.06 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.30 2kjz h ASP 79 Cb 0.57 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2kjz h ASP 79 CO 0.03 0.73 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.64 2kjz h GLU 80 N 0.15 0.80 0.00 0.28 5.08 -1.26 -2.78 114.58 116.85 2kjz h GLU 80 Ca -0.00 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 2kjz h GLU 80 Cb 1.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2kjz h GLU 80 CO 0.08 0.96 -0.50 1.15 -1.00 0.00 0.00 179.01 179.70 2kjz h THR 81 N 0.61 1.17 0.73 1.13 2.02 -1.32 -1.05 112.91 116.21 2kjz h THR 81 Ca 0.09 -1.84 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 2kjz h THR 81 Cb 0.69 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2kjz h THR 81 CO 0.05 0.49 -0.41 0.15 0.37 0.00 0.00 175.52 176.17 2kjz h PHE 82 N 0.00 -1.08 0.00 3.16 3.04 -0.99 -1.98 116.94 119.09 2kjz h PHE 82 Ca -0.01 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.83 2kjz h PHE 82 Cb 1.00 0.38 -0.01 0.00 2.56 0.00 0.00 35.95 39.88 2kjz h PHE 82 CO 0.00 -0.63 -0.47 0.00 -2.02 0.00 0.00 178.31 175.19 2kjz h ALA 83 N -1.37 1.21 0.14 2.41 0.00 -1.50 -1.77 119.26 118.39 2kjz h ALA 83 Ca -0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2kjz h ALA 83 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kjz h ALA 83 CO 0.13 0.59 -0.07 0.78 0.00 0.00 0.00 179.25 180.68 2kjz h GLY 84 N 1.43 -0.20 1.05 0.00 0.00 -1.19 -1.42 103.07 102.74 2kjz h GLY 84 Ca -0.00 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 2kjz h GLY 84 CO 0.06 -0.07 0.25 1.49 0.00 0.00 0.00 176.54 178.27 2kjz h TRP 85 N -0.29 1.16 -0.54 5.60 6.55 -1.24 -1.63 115.95 125.57 2kjz h TRP 85 Ca -0.02 -0.11 0.06 0.00 0.95 0.00 0.00 58.89 59.77 2kjz h TRP 85 Cb 0.23 -0.34 -0.05 0.00 -0.86 0.00 0.00 29.16 28.13 2kjz h TRP 85 CO -0.04 0.91 0.24 -0.22 -1.05 0.00 0.00 178.44 178.28 2kjz h LYS 86 N 1.08 0.45 0.00 0.49 3.64 -1.23 -1.12 116.57 119.88 2kjz h LYS 86 Ca 0.24 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2kjz h LYS 86 Cb 0.27 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2kjz h LYS 86 CO -0.01 0.30 -0.01 0.00 -2.27 0.00 0.00 179.45 177.46 2kjz h ALA 87 N 1.32 1.00 -0.69 5.00 0.00 -1.09 -3.04 119.26 121.75 2kjz h ALA 87 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2kjz h ALA 87 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kjz h ALA 87 CO -0.20 0.02 0.00 0.45 0.00 0.00 0.00 179.25 179.51 2kjz n SER 88 N -3.10 3.78 -0.43 0.00 2.88 -0.56 -4.96 113.62 111.23 2kjz n SER 88 Ca 0.02 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 2kjz n SER 88 Cb 0.40 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 1.58 0.79 3.91 0.46 0.00 -0.53 -5.01 105.19 106.39 2kjz n GLY 89 Ca 0.23 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.50 5.13 -0.08 1.61 0.11 -0.68 -4.55 120.40 119.44 2kjz s VAL 90 Ca 0.00 -0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 58.87 2kjz s VAL 90 Cb 0.00 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 2kjz s VAL 90 CO 0.00 -0.18 0.23 0.00 -3.33 0.00 0.00 175.10 171.82 2kjz h ALA 91 N 2.07 -0.16 -4.39 1.54 0.00 -0.89 -3.44 119.26 113.99 2kjz h ALA 91 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kjz h ALA 91 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kjz h ALA 91 CO 0.68 -0.15 -0.47 -0.12 0.00 0.00 0.00 179.25 179.20 2kjz n MET 92 N -4.88 -1.85 -3.70 0.00 0.00 -0.74 -4.88 117.12 101.07 2kjz n MET 92 Ca -0.02 1.73 -0.36 0.00 0.00 0.00 0.00 57.70 59.05 2kjz n MET 92 Cb 0.08 -3.95 -0.08 0.00 0.00 0.00 0.00 33.22 29.27 2kjz n MET 92 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2kjz s LEU 93 N -1.53 5.34 0.00 -0.89 -0.00 -1.26 -4.88 118.68 115.46 2kjz s LEU 93 Ca 0.08 -3.33 0.00 0.00 -0.00 0.00 0.00 54.13 50.88 2kjz s LEU 93 Cb -0.02 -1.86 0.00 0.00 -0.00 0.00 0.00 46.19 44.31 2kjz s LEU 93 CO 0.49 -0.26 0.00 1.67 -0.00 0.00 0.00 176.35 178.25 2kjz n GLN 94 N 2.84 0.00 -2.95 1.48 -0.06 -1.26 -4.94 117.38 112.49 2kjz n GLN 94 Ca 0.15 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.73 2kjz n GLN 94 Cb 0.37 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.50 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 -0.15 4.01 -0.51 3.69 -0.21 -1.26 -4.78 119.66 120.44 2kjz s GLN 95 Ca 0.00 0.64 -0.32 0.00 0.02 0.00 0.00 55.36 55.70 2kjz s GLN 95 Cb 0.00 -3.71 -0.12 0.00 1.00 0.00 0.00 33.01 30.18 2kjz s GLN 95 CO 0.00 -0.64 2.36 -2.30 -2.12 0.00 0.00 175.29 172.59 2kjz n PRO 96 N 6.14 0.88 -4.00 2.91 -0.02 -1.26 -4.94 135.00 134.72 2kjz n PRO 96 Ca 0.04 0.16 -0.31 0.00 -2.02 0.00 0.00 63.50 61.36 2kjz n PRO 96 Cb 0.48 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 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 9.09 3.76 -0.66 3.55 0.00 -0.20 -4.89 121.76 132.40 2kjz s ALA 97 Ca 1.11 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 2kjz s ALA 97 Cb -0.73 -1.64 0.09 0.00 0.00 0.00 0.00 23.12 20.85 2kjz s ALA 97 CO 0.42 0.77 0.89 0.21 0.00 0.00 0.00 175.76 178.05 2kjz s LYS 98 N -2.29 3.14 0.27 0.00 2.36 -1.26 -0.97 119.74 120.99 2kjz s LYS 98 Ca 0.30 -1.09 0.04 0.00 -2.55 0.00 0.00 55.97 52.67 2kjz s LYS 98 Cb -0.12 -4.30 0.04 0.00 -1.05 0.00 0.00 37.83 32.39 2kjz s LYS 98 CO 0.23 -1.72 0.33 -1.33 1.55 0.00 0.00 175.35 174.40 2kjz n MET 99 N 7.13 0.90 -0.36 4.03 2.81 -0.10 -4.96 117.12 126.56 2kjz n MET 99 Ca -0.03 -1.54 0.05 0.00 -1.81 0.00 0.00 57.70 54.37 2kjz n MET 99 Cb 0.45 -0.03 0.22 0.00 -0.71 0.00 0.00 33.22 33.14 2kjz n MET 99 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2kjz h GLU 100 N 0.00 1.04 -0.01 0.03 4.39 -2.02 -1.48 114.58 116.54 2kjz h GLU 100 Ca -0.14 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2kjz h GLU 100 Cb 0.60 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2kjz h GLU 100 CO 0.21 0.69 -0.21 1.19 -1.16 0.00 0.00 179.01 179.73 2kjz n PHE 101 N -4.56 0.00 0.00 4.33 3.01 -1.26 -4.90 117.46 114.08 2kjz n PHE 101 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.63 2kjz n PHE 101 Cb 0.28 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 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 1.32 0.71 3.55 1.37 0.00 -0.56 -2.76 105.19 108.82 2kjz n GLY 102 Ca 0.13 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 2kjz n GLY 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kjz s TYR 103 N -1.17 2.32 0.15 1.61 5.04 -0.11 -0.92 117.35 124.26 2kjz s TYR 103 Ca 0.00 -0.03 0.06 0.00 -2.44 0.00 0.00 57.07 54.66 2kjz s TYR 103 Cb 0.00 -4.61 -0.04 0.00 0.35 0.00 0.00 41.96 37.66 2kjz s TYR 103 CO 0.00 -2.03 0.03 -0.08 -1.34 0.00 0.00 175.55 172.13 2kjz s THR 104 N 5.63 3.96 -0.07 4.34 -1.32 -0.14 -0.70 115.64 127.34 2kjz s THR 104 Ca 0.35 -1.24 -0.13 0.00 -1.21 0.00 0.00 61.69 59.46 2kjz s THR 104 Cb -0.08 -2.98 0.03 0.00 -1.51 0.00 0.00 72.50 67.96 2kjz s THR 104 CO 0.16 -0.06 0.32 0.12 -2.21 0.00 0.00 174.62 172.95 2kjz s PHE 105 N -1.63 -0.27 -0.03 9.09 5.36 0.45 -1.04 117.98 129.91 2kjz s PHE 105 Ca 0.28 0.58 0.00 0.00 -0.96 0.00 0.00 56.93 56.83 2kjz s PHE 105 Cb -0.10 0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.72 2kjz s PHE 105 CO 0.20 -0.28 0.01 0.99 -1.46 0.00 0.00 175.22 174.67 2kjz s THR 106 N -0.58 0.15 0.49 0.12 2.01 -1.26 -0.99 115.64 115.58 2kjz s THR 106 Ca -0.07 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.12 2kjz s THR 106 Cb -0.04 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.23 2kjz s THR 106 CO 0.02 0.15 0.45 0.00 -0.69 0.00 0.00 174.62 174.55 2kjz s ALA 107 N 1.12 4.31 -0.06 7.40 0.00 0.01 -4.16 121.76 130.37 2kjz s ALA 107 Ca -0.08 -1.69 -0.03 0.00 0.00 0.00 0.00 51.96 50.16 2kjz s ALA 107 Cb -0.13 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.05 2kjz s ALA 107 CO -0.02 -0.41 0.09 0.00 0.00 0.00 0.00 175.76 175.42 2kjz s ALA 108 N -2.62 0.12 1.08 0.00 0.00 -1.26 -1.39 121.76 117.70 2kjz s ALA 108 Ca 0.45 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.58 2kjz s ALA 108 Cb -0.03 -0.71 0.14 0.00 0.00 0.00 0.00 23.12 22.52 2kjz s ALA 108 CO 0.27 -0.56 0.62 -0.40 0.00 0.00 0.00 175.76 175.69 2kjz n ASP 109 N 5.31 -0.93 -0.33 0.00 5.75 -1.24 -0.32 116.55 124.78 2kjz n ASP 109 Ca -0.04 -1.01 0.09 0.00 -0.01 0.00 0.00 54.79 53.83 2kjz n ASP 109 Cb 0.50 -0.53 0.20 0.00 -1.03 0.00 0.00 41.12 40.26 2kjz n ASP 109 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2kjz n PRO 110 N -2.94 -0.08 -0.07 0.11 -0.02 -1.26 -0.92 135.00 129.81 2kjz n PRO 110 Ca 0.08 1.45 0.11 0.00 -2.02 0.00 0.00 63.50 63.12 2kjz n PRO 110 Cb 0.31 -2.23 0.39 0.00 -0.02 0.00 0.00 33.50 31.95 2kjz n PRO 110 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kjz n ASP 111 N -5.48 1.65 -0.40 2.55 8.00 -1.26 -4.95 116.55 116.66 2kjz n ASP 111 Ca 0.18 -1.69 -0.05 0.00 0.71 0.00 0.00 54.79 53.94 2kjz n ASP 111 Cb 0.59 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 2kjz n ASP 111 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kjz n SER 112 N 0.31 -4.09 -4.75 -2.24 7.64 -0.10 -3.53 113.62 106.86 2kjz n SER 112 Ca 0.16 0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.76 2kjz n SER 112 Cb 0.33 -2.05 -0.01 0.00 -1.01 0.00 0.00 64.21 61.47 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 -2.69 2.83 -2.10 1.43 8.25 -1.26 -4.17 115.22 117.51 2kjz n HIS 113 Ca -0.05 0.36 -0.38 0.00 -0.26 0.00 0.00 57.72 57.39 2kjz n HIS 113 Cb 0.25 -2.55 -0.03 0.00 1.12 0.00 0.00 29.99 28.78 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 -1.22 2.69 -0.54 -0.41 1.81 -1.02 -3.63 118.95 116.63 2kjz s ARG 114 Ca 0.59 0.47 -0.18 0.00 -1.72 0.00 0.00 55.73 54.90 2kjz s ARG 114 Cb -0.50 -4.39 0.09 0.00 -0.45 0.00 0.00 34.95 29.70 2kjz s ARG 114 CO 0.56 -2.69 0.60 -0.51 -0.68 0.00 0.00 175.30 172.57 2kjz s LEU 115 N 8.73 5.46 0.15 2.53 1.43 -0.48 -1.41 118.68 135.08 2kjz s LEU 115 Ca 0.64 -1.34 -0.19 0.00 -1.03 0.00 0.00 54.13 52.20 2kjz s LEU 115 Cb -0.12 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.72 2kjz s LEU 115 CO 0.19 -0.94 0.64 -0.60 0.23 0.00 0.00 176.35 175.87 2kjz s ARG 116 N 2.32 4.22 -0.03 1.70 6.06 -0.11 -0.81 118.95 132.29 2kjz s ARG 116 Ca 0.10 0.78 -0.00 0.00 -2.50 0.00 0.00 55.73 54.11 2kjz s ARG 116 Cb -0.24 -3.07 0.03 0.00 0.06 0.00 0.00 34.95 31.73 2kjz s ARG 116 CO 0.07 0.52 0.02 0.08 -2.50 0.00 0.00 175.30 173.49 2kjz s VAL 117 N -1.32 0.07 0.09 7.11 1.01 -0.17 -0.73 120.40 126.47 2kjz s VAL 117 Ca 0.36 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2kjz s VAL 117 Cb -0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2kjz s VAL 117 CO 0.21 0.13 -0.07 -0.72 0.00 0.00 0.00 175.10 174.65 2kjz s TYR 118 N 1.17 0.90 -0.26 5.22 1.13 -1.04 -0.41 117.35 124.06 2kjz s TYR 118 Ca -0.08 -0.84 -0.01 0.00 -1.41 0.00 0.00 57.07 54.73 2kjz s TYR 118 Cb -0.13 -0.52 0.04 0.00 -1.10 0.00 0.00 41.96 40.25 2kjz s TYR 118 CO -0.02 -0.12 -0.06 0.00 -2.51 0.00 0.00 175.55 172.83 2kjz s ALA 119 N -3.28 2.68 -0.34 9.51 0.00 0.12 -3.36 121.76 127.10 2kjz s ALA 119 Ca 0.09 -1.59 -0.29 0.00 0.00 0.00 0.00 51.96 50.17 2kjz s ALA 119 Cb 0.03 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.46 2kjz s ALA 119 CO -0.04 -0.99 1.17 0.12 0.00 0.00 0.00 175.76 176.03 2kjz s PHE 120 N 1.26 2.92 -0.78 0.00 2.19 -1.26 -0.93 117.98 121.38 2kjz s PHE 120 Ca -0.03 1.00 -0.25 0.00 0.33 0.00 0.00 56.93 57.98 2kjz s PHE 120 Cb -0.18 -3.89 -0.04 0.00 -1.31 0.00 0.00 43.02 37.60 2kjz s PHE 120 CO -0.04 -1.20 1.94 0.00 1.83 0.00 0.00 175.22 177.75 2kjz s ALA 121 N 4.05 1.82 0.00 11.12 0.00 -1.11 -4.96 121.76 132.67 2kjz s ALA 121 Ca 0.50 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2kjz s ALA 121 Cb -0.13 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.53 2kjz s ALA 121 CO 0.21 -4.51 0.00 0.41 0.00 0.00 0.00 175.76 171.87