#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 5.20 -0.42 3.17 2.01 -1.26 -5.06 115.64 119.28 2kjz s THR 2 Ca 0.00 0.80 -0.11 0.00 0.31 0.00 0.00 61.69 62.68 2kjz s THR 2 Cb 0.00 -3.76 0.06 0.00 0.01 0.00 0.00 72.50 68.81 2kjz s THR 2 CO 0.00 0.29 0.28 -1.00 -0.69 0.00 0.00 174.62 173.49 2kjz s HIS 3 N 0.99 3.28 -0.86 4.92 0.09 -1.26 -5.05 115.29 117.40 2kjz s HIS 3 Ca 0.22 -1.17 -0.24 0.00 -0.00 0.00 0.00 55.06 53.87 2kjz s HIS 3 Cb -0.15 -2.83 0.05 0.00 -0.00 0.00 0.00 32.58 29.66 2kjz s HIS 3 CO 0.08 -0.76 1.30 -1.25 -0.00 0.00 0.00 174.74 174.11 2kjz s PRO 4 N 1.53 3.38 0.00 8.40 0.04 -1.26 -4.82 135.00 142.27 2kjz s PRO 4 Ca 0.03 -0.80 0.21 0.00 0.04 0.00 0.00 61.00 60.48 2kjz s PRO 4 Cb -0.22 -4.73 1.08 0.00 0.04 0.00 0.00 34.50 30.67 2kjz s PRO 4 CO 0.05 -2.11 1.72 -0.40 0.04 0.00 0.00 177.00 176.30 2kjz n ASP 5 N 8.75 0.59 -4.02 6.66 5.75 -1.26 -4.80 116.55 128.22 2kjz n ASP 5 Ca 0.16 -1.47 -0.30 0.00 -0.01 0.00 0.00 54.79 53.17 2kjz n ASP 5 Cb 0.49 -0.03 -0.16 0.00 -1.03 0.00 0.00 41.12 40.39 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 -1.94 2.25 -0.05 2.11 5.36 -1.26 -1.39 117.98 123.06 2kjz s PHE 6 Ca 0.32 -1.33 0.05 0.00 -0.96 0.00 0.00 56.93 55.01 2kjz s PHE 6 Cb 0.16 -1.62 -0.02 0.00 -0.34 0.00 0.00 43.02 41.20 2kjz s PHE 6 CO 0.25 -0.69 -0.20 -0.08 -1.46 0.00 0.00 175.22 173.04 2kjz s THR 7 N 1.46 2.52 -0.04 0.12 -1.32 -0.77 -5.01 115.64 112.60 2kjz s THR 7 Ca 0.03 -0.92 0.07 0.00 -1.21 0.00 0.00 61.69 59.67 2kjz s THR 7 Cb -0.14 -1.95 -0.02 0.00 -1.51 0.00 0.00 72.50 68.89 2kjz s THR 7 CO -0.10 0.58 -0.25 -0.63 -2.21 0.00 0.00 174.62 172.01 2kjz s ILE 8 N -0.44 2.11 -0.51 5.08 1.01 -1.26 -1.15 121.20 126.04 2kjz s ILE 8 Ca 0.05 -1.07 -0.23 0.00 0.00 0.00 0.00 60.65 59.40 2kjz s ILE 8 Cb -0.12 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.64 2kjz s ILE 8 CO 0.01 0.57 0.83 -0.76 0.00 0.00 0.00 174.94 175.60 2kjz s LEU 9 N -0.38 4.31 -0.41 2.97 2.01 -0.94 -4.93 118.68 121.33 2kjz s LEU 9 Ca 0.03 -0.39 -0.28 0.00 0.01 0.00 0.00 54.13 53.50 2kjz s LEU 9 Cb -0.12 -2.79 -0.07 0.00 0.01 0.00 0.00 46.19 43.21 2kjz s LEU 9 CO 0.02 -1.07 2.35 0.00 1.01 0.00 0.00 176.35 178.65 2kjz n TYR 10 N 6.99 1.59 -4.58 0.29 4.19 -1.26 -2.26 117.16 122.12 2kjz n TYR 10 Ca 0.00 0.05 -0.30 0.00 3.31 0.00 0.00 57.90 60.97 2kjz n TYR 10 Cb 0.47 -2.65 -0.09 0.00 0.49 0.00 0.00 39.34 37.56 2kjz n TYR 10 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2kjz s VAL 11 N 10.42 1.68 -0.05 2.97 -7.23 -0.28 -4.97 120.40 122.94 2kjz s VAL 11 Ca 1.02 -1.94 -0.07 0.00 -1.81 0.00 0.00 61.98 59.18 2kjz s VAL 11 Cb -0.32 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 2kjz s VAL 11 CO 0.32 0.00 -0.13 -0.67 -0.31 0.00 0.00 175.10 174.31 2kjz n ASP 12 N -1.16 0.89 -4.60 4.85 2.03 -1.26 -1.26 116.55 116.03 2kjz n ASP 12 Ca -0.10 0.14 -0.43 0.00 0.52 0.00 0.00 54.79 54.92 2kjz n ASP 12 Cb 0.67 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 40.55 2kjz n ASP 12 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kjz s ASN 13 N -5.16 6.23 0.05 1.67 0.01 -1.26 -4.38 114.94 112.10 2kjz s ASN 13 Ca -0.11 1.06 -0.29 0.00 -0.71 0.00 0.00 52.86 52.81 2kjz s ASN 13 Cb 0.01 -2.54 -0.16 0.00 0.41 0.00 0.00 41.25 38.98 2kjz s ASN 13 CO 0.16 -1.47 1.43 -0.65 -1.51 0.00 0.00 177.10 175.05 2kjz h PRO 14 N 11.24 -1.01 0.16 -0.60 0.11 -1.94 -2.62 132.00 137.34 2kjz h PRO 14 Ca -0.30 0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 2kjz h PRO 14 Cb 1.13 0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2kjz h PRO 14 CO 1.06 -0.67 -0.08 -1.35 -0.21 0.00 0.00 178.00 176.74 2kjz h PRO 15 N -1.06 -0.21 -0.60 1.05 0.11 -1.93 -2.88 132.00 126.48 2kjz h PRO 15 Ca -0.11 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.92 2kjz h PRO 15 Cb 0.81 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 2kjz h PRO 15 CO 0.18 0.04 -0.02 0.00 -0.21 0.00 0.00 178.00 177.99 2kjz h ALA 16 N 0.33 0.83 0.03 -0.75 0.00 -1.99 -1.58 119.26 116.13 2kjz h ALA 16 Ca -0.02 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 2kjz h ALA 16 Cb 0.35 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kjz h ALA 16 CO 0.04 0.67 -0.97 0.77 0.00 0.00 0.00 179.25 179.76 2kjz h SER 17 N 0.97 0.80 -0.49 0.00 0.02 -1.59 -2.25 113.55 111.00 2kjz h SER 17 Ca 0.17 -0.77 0.05 0.00 -0.84 0.00 0.00 61.79 60.40 2kjz h SER 17 Cb 0.58 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 2kjz h SER 17 CO 0.03 1.47 0.24 0.74 -1.14 0.00 0.00 176.83 178.17 2kjz h THR 18 N 0.21 0.93 -0.55 -2.27 2.02 -1.26 -0.56 112.91 111.44 2kjz h THR 18 Ca -0.13 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 2kjz h THR 18 Cb 1.65 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 2kjz h THR 18 CO 0.19 0.08 0.03 1.56 0.37 0.00 0.00 175.52 177.75 2kjz h GLN 19 N 0.46 0.92 -0.33 6.66 1.08 -1.39 -1.84 115.11 120.68 2kjz h GLN 19 Ca 0.22 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2kjz h GLN 19 Cb 0.15 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2kjz h GLN 19 CO -0.17 0.90 0.11 0.35 -0.95 0.00 0.00 178.83 179.07 2kjz h PHE 20 N 0.86 0.52 0.00 2.96 3.57 -0.73 -2.56 116.94 121.56 2kjz h PHE 20 Ca 0.17 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 2kjz h PHE 20 Cb 0.47 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2kjz h PHE 20 CO 0.03 0.52 -0.49 1.88 -2.23 0.00 0.00 178.31 178.02 2kjz h TYR 21 N 0.38 0.00 -0.33 0.41 -1.99 -1.06 -1.36 116.97 113.02 2kjz h TYR 21 Ca 0.11 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.88 2kjz h TYR 21 Cb 0.24 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.93 2kjz h TYR 21 CO 0.01 0.49 0.07 0.87 -0.00 0.00 0.00 178.16 179.60 2kjz h LYS 22 N 0.00 0.18 0.07 4.88 1.57 -0.93 -1.66 116.57 120.68 2kjz h LYS 22 Ca -0.00 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.49 2kjz h LYS 22 Cb 0.91 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 33.20 2kjz h LYS 22 CO 0.06 0.12 -1.15 0.00 -0.57 0.00 0.00 179.45 177.91 2kjz h ALA 23 N 1.24 0.10 -0.88 3.86 0.00 -1.47 -0.75 119.26 121.36 2kjz h ALA 23 Ca 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2kjz h ALA 23 Cb 0.16 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2kjz h ALA 23 CO -0.20 0.74 0.55 1.25 0.00 0.00 0.00 179.25 181.59 2kjz h LEU 24 N 0.28 1.04 0.09 0.00 5.85 -1.05 -3.00 115.31 118.51 2kjz h LEU 24 Ca -0.15 -0.05 -0.34 0.00 0.84 0.00 0.00 57.88 58.17 2kjz h LEU 24 Cb 1.82 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 2kjz h LEU 24 CO 0.22 0.78 -1.91 0.18 -0.34 0.00 0.00 178.44 177.36 2kjz n LEU 25 N -4.43 2.49 -0.00 2.25 4.77 -0.64 -5.02 117.00 116.41 2kjz n LEU 25 Ca 0.09 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2kjz n LEU 25 Cb 0.04 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 2kjz n LEU 25 CO 0.37 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2kjz n GLY 26 N 1.88 1.76 3.31 -0.72 0.00 -0.52 -5.11 105.19 105.80 2kjz n GLY 26 Ca -0.34 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.01 0.82 0.10 1.61 -7.23 -0.40 -5.00 120.40 108.29 2kjz s VAL 27 Ca 0.00 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 2kjz s VAL 27 Cb 0.00 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 2kjz s VAL 27 CO 0.00 -0.24 -0.12 1.51 -0.31 0.00 0.00 175.10 175.94 2kjz s ASP 28 N -3.29 4.26 -0.32 4.85 1.47 -1.26 -4.35 116.67 118.04 2kjz s ASP 28 Ca 0.31 -0.41 -0.29 0.00 1.18 0.00 0.00 52.55 53.34 2kjz s ASP 28 Cb 0.07 -0.77 -0.01 0.00 -0.34 0.00 0.00 42.92 41.86 2kjz s ASP 28 CO 0.09 0.19 1.58 -2.84 0.68 0.00 0.00 175.17 174.87 2kjz s PRO 29 N -2.10 3.60 0.27 2.11 0.02 -1.26 -4.64 135.00 132.99 2kjz s PRO 29 Ca 0.20 1.33 -0.02 0.00 0.02 0.00 0.00 61.00 62.53 2kjz s PRO 29 Cb -0.11 -4.07 0.35 0.00 0.02 0.00 0.00 34.50 30.70 2kjz s PRO 29 CO 0.12 -1.53 1.80 -0.24 -0.33 0.00 0.00 177.00 176.82 2kjz h VAL 30 N 6.43 1.23 -3.46 3.83 3.04 -1.44 -3.39 116.25 122.50 2kjz h VAL 30 Ca -0.31 -0.88 -0.65 0.00 -1.01 0.00 0.00 66.70 63.84 2kjz h VAL 30 Cb 1.14 0.72 -0.25 0.00 -2.01 0.00 0.00 31.29 30.89 2kjz h VAL 30 CO 1.04 0.32 -0.68 -1.61 -1.01 0.00 0.00 177.57 175.63 2kjz s GLU 31 N -5.15 3.52 -0.05 4.17 0.41 -0.79 -5.03 118.70 115.78 2kjz s GLU 31 Ca -0.10 -0.56 0.02 0.00 -0.41 0.00 0.00 54.97 53.92 2kjz s GLU 31 Cb 0.15 -3.09 0.01 0.00 -1.78 0.00 0.00 34.13 29.43 2kjz s GLU 31 CO 0.81 -0.11 -0.09 -1.54 -0.49 0.00 0.00 175.26 173.84 2kjz s SER 32 N 1.30 1.37 0.03 -0.19 1.04 -1.26 -1.18 113.70 114.81 2kjz s SER 32 Ca 0.04 -0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.19 2kjz s SER 32 Cb -0.15 -0.59 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 2kjz s SER 32 CO 0.00 0.01 0.11 -0.55 0.98 0.00 0.00 173.24 173.80 2kjz s SER 33 N 0.64 0.12 0.03 7.02 0.15 -0.35 -5.03 113.70 116.28 2kjz s SER 33 Ca -0.11 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.15 2kjz s SER 33 Cb -0.14 0.22 0.13 0.00 -1.71 0.00 0.00 66.02 64.52 2kjz s SER 33 CO 0.02 -0.46 1.08 -0.81 1.20 0.00 0.00 173.24 174.27 2kjz n PRO 34 N 1.03 0.01 0.00 5.44 -0.04 -1.26 -2.67 135.00 137.51 2kjz n PRO 34 Ca -0.20 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2kjz n PRO 34 Cb 0.57 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2kjz n PRO 34 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kjz n THR 35 N -1.57 0.00 -3.67 0.52 5.66 -1.26 -4.77 114.28 109.20 2kjz n THR 35 Ca 0.00 -0.26 -0.15 0.00 -3.05 0.00 0.00 64.05 60.59 2kjz n THR 35 Cb 0.01 1.43 -0.08 0.00 -1.55 0.00 0.00 70.33 70.14 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 -0.05 -0.41 0.03 1.09 5.36 -1.09 -2.30 117.98 120.62 2kjz s PHE 36 Ca 0.00 0.73 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 2kjz s PHE 36 Cb 0.00 0.22 -0.02 0.00 -0.34 0.00 0.00 43.02 42.88 2kjz s PHE 36 CO 0.00 -0.45 -0.05 -1.12 -1.46 0.00 0.00 175.22 172.13 2kjz s SER 37 N -1.05 0.55 -0.08 6.13 0.01 -0.45 -1.21 113.70 117.60 2kjz s SER 37 Ca -0.11 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.61 2kjz s SER 37 Cb -0.03 0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.31 2kjz s SER 37 CO 0.06 -0.24 0.17 -0.22 0.41 0.00 0.00 173.24 173.41 2kjz s LEU 38 N -1.48 0.08 -0.02 2.44 1.98 -0.32 -1.12 118.68 120.25 2kjz s LEU 38 Ca -0.12 0.35 0.02 0.00 -2.89 0.00 0.00 54.13 51.49 2kjz s LEU 38 Cb -0.10 0.34 0.00 0.00 0.66 0.00 0.00 46.19 47.09 2kjz s LEU 38 CO -0.00 -0.22 -0.08 0.72 -1.89 0.00 0.00 176.35 174.88 2kjz s PHE 39 N 2.05 0.78 -0.14 5.38 -0.12 -0.61 -0.97 117.98 124.35 2kjz s PHE 39 Ca 0.00 -0.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.72 2kjz s PHE 39 Cb -0.12 -0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 41.72 2kjz s PHE 39 CO -0.06 -0.06 -0.16 0.08 -0.05 0.00 0.00 175.22 174.96 2kjz s VAL 40 N 0.09 2.68 0.31 -2.49 1.01 -1.26 -1.48 120.40 119.26 2kjz s VAL 40 Ca -0.01 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 2kjz s VAL 40 Cb -0.06 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 2kjz s VAL 40 CO 0.00 0.52 0.69 -0.76 0.00 0.00 0.00 175.10 175.56 2kjz s LEU 41 N 0.60 4.06 0.00 3.92 1.43 -0.65 -4.96 118.68 123.07 2kjz s LEU 41 Ca -0.09 1.17 0.15 0.00 -1.03 0.00 0.00 54.13 54.33 2kjz s LEU 41 Cb -0.16 -3.98 0.67 0.00 0.03 0.00 0.00 46.19 42.76 2kjz s LEU 41 CO 0.03 -0.20 1.44 0.00 0.23 0.00 0.00 176.35 177.85 2kjz n ALA 42 N -0.43 1.74 0.74 4.21 0.00 -1.26 -2.46 120.51 123.05 2kjz n ALA 42 Ca 0.03 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.50 2kjz n ALA 42 Cb 0.53 -1.24 0.43 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.41 0.00 0.00 0.00 4.13 -1.26 -4.87 115.26 111.85 2kjz n ASN 43 Ca 0.05 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.63 2kjz n ASN 43 Cb 0.15 -0.42 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 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 0.39 0.83 3.66 7.41 0.00 -1.03 -5.09 105.19 111.36 2kjz n GLY 44 Ca 0.06 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.63 2.03 0.00 1.61 0.23 -1.23 -5.04 119.30 116.27 2kjz s MET 45 Ca 0.00 -2.16 0.03 0.00 -1.03 0.00 0.00 55.69 52.53 2kjz s MET 45 Cb 0.00 -1.64 -0.01 0.00 -1.53 0.00 0.00 34.83 31.65 2kjz s MET 45 CO 0.00 -0.13 -0.10 0.21 -2.03 0.00 0.00 175.02 172.98 2kjz s LYS 46 N -3.76 0.76 -0.05 3.16 2.20 -0.48 -1.64 119.74 119.92 2kjz s LYS 46 Ca 0.29 -0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.49 2kjz s LYS 46 Cb 0.08 -0.72 0.03 0.00 -1.51 0.00 0.00 37.83 35.70 2kjz s LYS 46 CO 0.15 0.19 0.03 -1.17 -0.36 0.00 0.00 175.35 174.20 2kjz s LEU 47 N -0.38 0.47 0.44 5.43 0.20 -0.55 -1.84 118.68 122.45 2kjz s LEU 47 Ca 0.03 0.02 0.08 0.00 0.69 0.00 0.00 54.13 54.94 2kjz s LEU 47 Cb -0.04 -0.23 0.01 0.00 -0.43 0.00 0.00 46.19 45.49 2kjz s LEU 47 CO -0.00 -0.21 0.49 -0.83 -0.29 0.00 0.00 176.35 175.52 2kjz s GLY 48 N 1.88 2.04 -0.06 7.98 0.00 -0.30 -1.57 107.32 117.30 2kjz s GLY 48 Ca 0.02 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 42.92 2kjz s GLY 48 CO -0.03 -1.64 0.07 -2.27 0.00 0.00 0.00 173.10 169.23 2kjz s LEU 49 N -4.28 0.14 -0.18 0.66 2.96 -0.27 -2.21 118.68 115.50 2kjz s LEU 49 Ca 0.51 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2kjz s LEU 49 Cb -0.06 -0.11 -0.00 0.00 0.50 0.00 0.00 46.19 46.52 2kjz s LEU 49 CO 0.30 -0.26 -0.12 0.86 -1.32 0.00 0.00 176.35 175.81 2kjz s TRP 50 N 2.18 2.85 -0.14 5.38 -0.11 -0.96 -1.34 118.94 126.80 2kjz s TRP 50 Ca 0.05 -1.11 -0.25 0.00 1.22 0.00 0.00 56.10 56.00 2kjz s TRP 50 Cb -0.12 -1.97 -0.02 0.00 -1.50 0.00 0.00 33.47 29.86 2kjz s TRP 50 CO -0.04 -0.55 0.83 0.45 -4.62 0.00 0.00 176.95 173.01 2kjz s SER 51 N 1.12 7.00 0.00 5.86 0.15 -0.97 -1.12 113.70 125.73 2kjz s SER 51 Ca 0.01 1.23 0.14 0.00 0.70 0.00 0.00 55.95 58.02 2kjz s SER 51 Cb -0.14 -2.46 0.61 0.00 -1.71 0.00 0.00 66.02 62.32 2kjz s SER 51 CO -0.04 -0.34 1.43 -2.11 1.20 0.00 0.00 173.24 173.38 2kjz n ARG 52 N 4.87 0.03 0.00 5.44 1.85 -0.39 -2.74 116.66 125.72 2kjz n ARG 52 Ca 0.04 0.25 0.11 0.00 -1.00 0.00 0.00 57.85 57.24 2kjz n ARG 52 Cb 0.49 -1.50 0.50 0.00 -1.05 0.00 0.00 32.46 30.90 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 -1.47 0.00 -0.77 2.89 1.44 -1.26 -3.16 115.22 112.89 2kjz n HIS 53 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 2kjz n HIS 53 Cb 0.15 -0.43 0.00 0.00 0.12 0.00 0.00 29.99 29.84 2kjz n HIS 53 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 2kjz n THR 54 N -1.43 0.15 -1.79 0.61 5.66 -1.11 -5.07 114.28 111.30 2kjz n THR 54 Ca 0.07 -0.19 -0.38 0.00 -3.05 0.00 0.00 64.05 60.50 2kjz n THR 54 Cb 0.23 1.20 0.05 0.00 -1.55 0.00 0.00 70.33 70.26 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 -0.15 2.10 -0.22 1.08 0.11 -1.19 -4.90 120.40 117.23 2kjz s VAL 55 Ca 0.00 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 2kjz s VAL 55 Cb 0.00 -3.03 0.04 0.00 -1.53 0.00 0.00 36.38 31.85 2kjz s VAL 55 CO 0.00 -0.01 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.01 2kjz s GLU 56 N -3.09 2.65 0.30 1.54 2.02 -1.26 -1.32 118.70 119.54 2kjz s GLU 56 Ca 0.76 -1.07 -0.28 0.00 0.02 0.00 0.00 54.97 54.40 2kjz s GLU 56 Cb -0.39 -2.77 -0.09 0.00 0.10 0.00 0.00 34.13 30.98 2kjz s GLU 56 CO 0.44 -0.39 0.96 -1.25 0.02 0.00 0.00 175.26 175.04 2kjz s PRO 57 N 1.22 4.66 -0.27 0.39 0.04 -1.26 -5.09 135.00 134.69 2kjz s PRO 57 Ca -0.02 1.44 -0.36 0.00 0.04 0.00 0.00 61.00 62.10 2kjz s PRO 57 Cb -0.16 -2.98 -0.13 0.00 0.04 0.00 0.00 34.50 31.27 2kjz s PRO 57 CO -0.08 0.33 1.99 1.63 0.04 0.00 0.00 177.00 180.91 2kjz n LYS 58 N 0.90 1.37 -3.93 4.56 4.76 -0.43 -4.96 118.16 120.42 2kjz n LYS 58 Ca 0.01 0.45 -0.10 0.00 -2.87 0.00 0.00 58.31 55.80 2kjz n LYS 58 Cb 0.49 -2.41 -0.10 0.00 -1.84 0.00 0.00 35.03 31.16 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 5.50 -0.06 -0.42 7.82 0.00 -1.26 -5.07 121.76 128.27 2kjz s ALA 59 Ca 1.02 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.55 2kjz s ALA 59 Cb -0.88 0.17 0.15 0.00 0.00 0.00 0.00 23.12 22.56 2kjz s ALA 59 CO 0.54 -0.23 0.27 -1.12 0.00 0.00 0.00 175.76 175.23 2kjz s SER 60 N -1.67 3.00 -0.26 0.00 0.01 -1.26 -4.68 113.70 108.84 2kjz s SER 60 Ca -0.12 -2.65 -0.11 0.00 1.31 0.00 0.00 55.95 54.39 2kjz s SER 60 Cb -0.06 -0.71 0.10 0.00 0.21 0.00 0.00 66.02 65.55 2kjz s SER 60 CO -0.01 -0.25 0.57 0.54 0.41 0.00 0.00 173.24 174.50 2kjz s VAL 61 N 0.42 -0.56 -0.05 3.43 0.11 -1.26 -5.17 120.40 117.32 2kjz s VAL 61 Ca 0.22 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2kjz s VAL 61 Cb -0.16 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2kjz s VAL 61 CO -0.05 0.02 -0.00 0.42 -3.33 0.00 0.00 175.10 172.16 2kjz s THR 62 N 2.36 0.30 0.00 5.04 -4.23 -1.26 -4.92 115.64 112.93 2kjz s THR 62 Ca -0.06 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2kjz s THR 62 Cb -0.10 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.32 2kjz s THR 62 CO -0.17 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 2kjz n GLY 63 N 4.58 0.83 2.68 3.99 0.00 -1.25 -4.83 105.19 111.20 2kjz n GLY 63 Ca -0.17 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.16 0.00 -0.02 0.00 -1.26 -5.07 105.19 98.67 2kjz n GLY 64 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.15 2.04 1.11 -0.02 0.00 -1.26 -5.14 105.19 101.77 2kjz n GLY 65 Ca -0.10 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 0.35 -2.69 3.14 -0.02 0.00 -1.26 -4.82 105.19 99.89 2kjz n GLY 66 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 2kjz n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kjz s GLU 67 N -1.64 0.88 -0.33 1.61 -1.05 -1.26 -3.40 118.70 113.50 2kjz s GLU 67 Ca 0.00 -0.77 0.01 0.00 -0.15 0.00 0.00 54.97 54.06 2kjz s GLU 67 Cb 0.00 -0.88 0.08 0.00 -0.44 0.00 0.00 34.13 32.90 2kjz s GLU 67 CO 0.00 0.21 0.05 -1.17 0.95 0.00 0.00 175.26 175.30 2kjz s LEU 68 N -1.22 4.47 -0.38 1.83 2.96 -0.17 -4.97 118.68 121.20 2kjz s LEU 68 Ca 0.00 -1.81 -0.23 0.00 -0.22 0.00 0.00 54.13 51.88 2kjz s LEU 68 Cb -0.08 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.94 2kjz s LEU 68 CO 0.01 -0.36 0.76 0.00 -1.32 0.00 0.00 176.35 175.45 2kjz s ALA 69 N 1.07 3.41 -0.44 5.97 0.00 -1.26 -1.22 121.76 129.29 2kjz s ALA 69 Ca 0.03 -0.73 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 2kjz s ALA 69 Cb -0.20 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.59 2kjz s ALA 69 CO -0.05 -1.53 0.69 -0.06 0.00 0.00 0.00 175.76 174.81 2kjz s PHE 70 N 3.08 3.04 -0.18 0.00 0.40 0.32 -4.96 117.98 119.68 2kjz s PHE 70 Ca 0.30 0.03 -0.20 0.00 -0.60 0.00 0.00 56.93 56.46 2kjz s PHE 70 Cb -0.13 -3.45 -0.03 0.00 0.51 0.00 0.00 43.02 39.92 2kjz s PHE 70 CO 0.17 -0.90 0.60 1.03 0.70 0.00 0.00 175.22 176.82 2kjz s ARG 71 N 2.98 4.24 0.14 0.44 0.52 -1.26 -2.45 118.95 123.55 2kjz s ARG 71 Ca 0.25 0.58 0.04 0.00 -0.52 0.00 0.00 55.73 56.09 2kjz s ARG 71 Cb -0.13 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.74 2kjz s ARG 71 CO 0.20 -0.16 -0.10 0.14 0.02 0.00 0.00 175.30 175.39 2kjz s VAL 72 N 1.66 1.15 0.21 3.52 -7.23 -1.22 -5.03 120.40 113.46 2kjz s VAL 72 Ca 0.28 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.40 2kjz s VAL 72 Cb -0.16 -1.76 0.12 0.00 0.56 0.00 0.00 36.38 35.15 2kjz s VAL 72 CO 0.11 -0.70 1.74 1.05 -0.31 0.00 0.00 175.10 176.99 2kjz h GLU 73 N 2.94 1.09 -2.92 4.82 4.11 -1.96 -3.37 114.58 119.29 2kjz h GLU 73 Ca -0.37 -0.26 0.02 0.00 0.07 0.00 0.00 59.36 58.82 2kjz h GLU 73 Cb 1.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2kjz h GLU 73 CO 0.61 0.96 0.32 0.54 0.07 0.00 0.00 179.01 181.51 2kjz s ASN 74 N -6.48 -0.01 0.55 3.06 2.20 -1.26 -4.57 114.94 108.42 2kjz s ASN 74 Ca -0.12 -1.04 0.22 0.00 -0.94 0.00 0.00 52.86 50.99 2kjz s ASN 74 Cb 0.15 0.79 1.49 0.00 -2.00 0.00 0.00 41.25 41.67 2kjz s ASN 74 CO 0.84 -1.55 2.16 -2.24 -2.94 0.00 0.00 177.10 173.37 2kjz h ASP 75 N 2.00 0.00 0.06 3.54 2.03 -1.92 -1.76 116.42 120.38 2kjz h ASP 75 Ca -0.31 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.99 2kjz h ASP 75 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2kjz h ASP 75 CO 0.39 0.00 -0.03 0.00 -1.03 0.00 0.00 179.24 178.57 2kjz h ALA 76 N 1.95 -0.08 0.00 4.15 0.00 -1.99 -2.45 119.26 120.84 2kjz h ALA 76 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kjz h ALA 76 Cb 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kjz h ALA 76 CO -0.00 -0.47 -0.09 1.96 0.00 0.00 0.00 179.25 180.65 2kjz h GLN 77 N -0.24 0.00 -0.21 0.00 1.08 -1.74 -0.84 115.11 113.15 2kjz h GLN 77 Ca -0.01 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 2kjz h GLN 77 Cb 0.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2kjz h GLN 77 CO 0.01 0.09 -0.09 0.28 -0.95 0.00 0.00 178.83 178.18 2kjz h VAL 78 N 0.00 1.30 0.00 -0.54 2.07 -1.37 -2.78 116.25 114.93 2kjz h VAL 78 Ca -0.00 -1.14 -0.14 0.00 0.82 0.00 0.00 66.70 66.24 2kjz h VAL 78 Cb 0.29 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2kjz h VAL 78 CO 0.01 0.35 -0.66 -0.78 0.02 0.00 0.00 177.57 176.51 2kjz h ASP 79 N 0.15 0.00 -0.14 0.57 3.58 -0.79 0.43 116.42 120.23 2kjz h ASP 79 Ca 0.05 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2kjz h ASP 79 Cb 0.57 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2kjz h ASP 79 CO 0.03 0.66 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.71 2kjz h GLU 80 N 0.00 0.25 0.00 0.28 5.08 -1.27 -2.51 114.58 116.41 2kjz h GLU 80 Ca -0.01 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2kjz h GLU 80 Cb 1.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2kjz h GLU 80 CO 0.09 0.50 -0.30 1.15 -1.00 0.00 0.00 179.01 179.44 2kjz h THR 81 N -0.03 1.14 0.89 1.13 2.02 -1.30 -1.94 112.91 114.82 2kjz h THR 81 Ca 0.04 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 2kjz h THR 81 Cb 0.39 1.59 0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2kjz h THR 81 CO 0.01 0.30 -0.43 0.15 0.37 0.00 0.00 175.52 175.92 2kjz h PHE 82 N 0.00 -1.11 -0.15 3.16 3.04 -0.77 -2.47 116.94 118.65 2kjz h PHE 82 Ca -0.00 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.84 2kjz h PHE 82 Cb 0.56 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.43 2kjz h PHE 82 CO 0.00 -0.69 -0.28 0.00 -2.02 0.00 0.00 178.31 175.32 2kjz h ALA 83 N -1.44 1.25 -0.30 2.41 0.00 -1.37 -0.41 119.26 119.39 2kjz h ALA 83 Ca -0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2kjz h ALA 83 Cb 0.92 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2kjz h ALA 83 CO 0.20 0.50 0.06 0.78 0.00 0.00 0.00 179.25 180.80 2kjz h GLY 84 N 1.02 0.53 1.04 0.00 0.00 -1.40 -1.50 103.07 102.76 2kjz h GLY 84 Ca 0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 2kjz h GLY 84 CO 0.05 0.32 0.02 1.49 0.00 0.00 0.00 176.54 178.41 2kjz h TRP 85 N 0.33 1.06 -0.68 5.60 4.06 -1.17 -1.80 115.95 123.35 2kjz h TRP 85 Ca 0.09 -0.18 0.04 0.00 2.06 0.00 0.00 58.89 60.90 2kjz h TRP 85 Cb 0.31 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 28.15 2kjz h TRP 85 CO 0.02 0.95 0.41 -0.22 -3.56 0.00 0.00 178.44 176.04 2kjz h LYS 86 N 0.86 0.78 0.00 0.49 3.64 -0.97 -0.98 116.57 120.39 2kjz h LYS 86 Ca 0.16 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2kjz h LYS 86 Cb 0.52 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2kjz h LYS 86 CO 0.02 0.51 -0.49 0.00 -2.27 0.00 0.00 179.45 177.23 2kjz h ALA 87 N 1.30 0.93 -0.47 5.00 0.00 -1.22 -3.17 119.26 121.62 2kjz h ALA 87 Ca 0.28 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kjz h ALA 87 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kjz h ALA 87 CO -0.12 0.61 0.00 0.45 0.00 0.00 0.00 179.25 180.19 2kjz n SER 88 N -3.57 2.80 -0.99 0.00 2.88 -0.63 -4.95 113.62 109.16 2kjz n SER 88 Ca -0.00 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 2kjz n SER 88 Cb 0.58 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 1.35 0.64 3.81 0.46 0.00 -0.47 -5.01 105.19 105.97 2kjz n GLY 89 Ca 0.18 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 2kjz n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kjz s VAL 90 N -2.71 5.00 0.09 1.61 1.01 -0.92 -4.84 120.40 119.64 2kjz s VAL 90 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 2kjz s VAL 90 Cb 0.00 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 2kjz s VAL 90 CO 0.00 0.49 1.63 0.00 0.00 0.00 0.00 175.10 177.22 2kjz h ALA 91 N 4.56 0.28 -5.20 5.51 0.00 -1.27 -3.45 119.26 119.69 2kjz h ALA 91 Ca -0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2kjz h ALA 91 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2kjz h ALA 91 CO 0.60 -0.12 -0.67 -0.12 0.00 0.00 0.00 179.25 178.94 2kjz n MET 92 N -4.81 -2.76 -3.88 0.00 0.00 -1.18 -4.86 117.12 99.62 2kjz n MET 92 Ca -0.04 2.35 -0.30 0.00 0.00 0.00 0.00 57.70 59.71 2kjz n MET 92 Cb 0.13 -5.54 -0.12 0.00 0.00 0.00 0.00 33.22 27.69 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 -2.25 4.71 0.00 -0.89 -0.00 -1.26 -4.89 118.68 114.11 2kjz s LEU 93 Ca 0.16 -3.42 0.00 0.00 -0.00 0.00 0.00 54.13 50.87 2kjz s LEU 93 Cb -0.04 -1.68 0.00 0.00 -0.00 0.00 0.00 46.19 44.46 2kjz s LEU 93 CO 0.77 -0.18 0.00 1.67 -0.00 0.00 0.00 176.35 178.61 2kjz n GLN 94 N 2.59 0.00 -2.24 1.48 0.00 -1.23 -4.84 117.38 113.15 2kjz n GLN 94 Ca 0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.70 2kjz n GLN 94 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.56 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 3.78 -0.21 3.69 -0.21 -1.26 -4.52 119.66 120.93 2kjz s GLN 95 Ca 0.00 1.42 -0.32 0.00 0.02 0.00 0.00 55.36 56.49 2kjz s GLN 95 Cb 0.00 -3.99 -0.09 0.00 1.00 0.00 0.00 33.01 29.93 2kjz s GLN 95 CO 0.00 -1.31 2.12 -0.35 -2.12 0.00 0.00 175.29 173.64 2kjz n PRO 96 N 7.64 1.81 -4.36 2.91 -0.04 -1.26 -4.93 135.00 136.77 2kjz n PRO 96 Ca 0.17 0.56 -0.22 0.00 -0.04 0.00 0.00 63.50 63.97 2kjz n PRO 96 Cb 0.46 -2.86 -0.13 0.00 -0.04 0.00 0.00 33.50 30.93 2kjz n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kjz s ALA 97 N 6.84 1.50 -0.66 0.55 0.00 -0.74 -4.95 121.76 124.32 2kjz s ALA 97 Ca 1.01 -1.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.66 2kjz s ALA 97 Cb -0.57 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.33 2kjz s ALA 97 CO 0.43 0.29 1.54 0.21 0.00 0.00 0.00 175.76 178.23 2kjz s LYS 98 N -1.51 2.99 0.46 0.00 2.36 -1.26 -1.30 119.74 121.48 2kjz s LYS 98 Ca 0.04 0.22 -0.03 0.00 -2.55 0.00 0.00 55.97 53.65 2kjz s LYS 98 Cb -0.09 -4.25 -0.02 0.00 -1.05 0.00 0.00 37.83 32.42 2kjz s LYS 98 CO 0.02 -2.34 0.72 1.41 1.55 0.00 0.00 175.35 176.71 2kjz s MET 99 N 6.21 3.31 0.55 4.03 -2.45 -0.28 -4.95 119.30 125.72 2kjz s MET 99 Ca 0.51 -0.12 0.26 0.00 -1.25 0.00 0.00 55.69 55.08 2kjz s MET 99 Cb -0.10 -2.47 1.46 0.00 1.25 0.00 0.00 34.83 34.96 2kjz s MET 99 CO 0.19 -0.22 2.03 1.49 1.05 0.00 0.00 175.02 179.55 2kjz h GLU 100 N 0.32 0.00 -3.55 4.11 4.81 -2.03 -3.18 114.58 115.06 2kjz h GLU 100 Ca -0.47 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.05 2kjz h GLU 100 Cb 1.23 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.27 2kjz h GLU 100 CO 0.60 0.00 -0.24 -0.06 -0.73 0.00 0.00 179.01 178.59 2kjz s PHE 101 N -4.89 3.55 0.44 0.92 0.08 -1.26 -5.05 117.98 111.77 2kjz s PHE 101 Ca -0.05 -2.67 0.00 0.00 0.12 0.00 0.00 56.93 54.33 2kjz s PHE 101 Cb 0.18 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 2kjz s PHE 101 CO 0.66 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 175.35 2kjz n GLY 102 N 3.32 -3.04 3.56 4.36 0.00 -1.20 -4.64 105.19 107.56 2kjz n GLY 102 Ca 0.12 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.74 2.26 0.01 1.61 5.04 -0.16 -1.13 117.35 121.24 2kjz s TYR 103 Ca 0.00 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.85 2kjz s TYR 103 Cb 0.00 -4.51 -0.04 0.00 0.35 0.00 0.00 41.96 37.76 2kjz s TYR 103 CO 0.00 -2.01 0.01 -0.08 -1.34 0.00 0.00 175.55 172.13 2kjz s THR 104 N 6.06 4.19 -0.03 4.34 -1.32 -0.42 -0.66 115.64 127.79 2kjz s THR 104 Ca 0.43 -0.63 0.01 0.00 -1.21 0.00 0.00 61.69 60.29 2kjz s THR 104 Cb -0.09 -2.89 0.02 0.00 -1.51 0.00 0.00 72.50 68.04 2kjz s THR 104 CO 0.19 0.34 -0.01 0.12 -2.21 0.00 0.00 174.62 173.05 2kjz s PHE 105 N -1.12 0.39 -0.15 9.09 5.36 0.31 -1.78 117.98 130.08 2kjz s PHE 105 Ca 0.21 -0.04 0.02 0.00 -0.96 0.00 0.00 56.93 56.15 2kjz s PHE 105 Cb -0.12 -0.44 0.02 0.00 -0.34 0.00 0.00 43.02 42.14 2kjz s PHE 105 CO 0.12 -0.13 -0.20 0.99 -1.46 0.00 0.00 175.22 174.54 2kjz s THR 106 N 0.90 1.97 0.46 0.12 2.01 -1.26 -0.68 115.64 119.17 2kjz s THR 106 Ca -0.10 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.07 2kjz s THR 106 Cb -0.13 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.63 2kjz s THR 106 CO -0.01 0.53 0.48 0.00 -0.69 0.00 0.00 174.62 174.93 2kjz s ALA 107 N 1.06 4.31 -0.07 7.40 0.00 -0.34 -3.52 121.76 130.59 2kjz s ALA 107 Ca -0.02 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.14 2kjz s ALA 107 Cb -0.14 -1.14 0.04 0.00 0.00 0.00 0.00 23.12 21.88 2kjz s ALA 107 CO -0.07 -0.37 0.05 0.00 0.00 0.00 0.00 175.76 175.37 2kjz s ALA 108 N -2.54 0.39 1.01 0.00 0.00 -1.26 -1.65 121.76 117.70 2kjz s ALA 108 Ca 0.49 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 2kjz s ALA 108 Cb -0.05 -0.73 0.19 0.00 0.00 0.00 0.00 23.12 22.54 2kjz s ALA 108 CO 0.29 -0.61 1.08 0.16 0.00 0.00 0.00 175.76 176.68 2kjz s ASP 109 N 2.11 2.50 0.57 0.00 1.47 -1.25 -0.82 116.67 121.25 2kjz s ASP 109 Ca 0.04 1.34 0.31 0.00 1.18 0.00 0.00 52.55 55.42 2kjz s ASP 109 Cb -0.13 -2.02 1.43 0.00 -0.34 0.00 0.00 42.92 41.86 2kjz s ASP 109 CO -0.05 -3.23 1.80 -0.65 0.68 0.00 0.00 175.17 173.73 2kjz h PRO 110 N -1.96 0.00 -0.41 2.11 0.11 -1.96 -0.87 132.00 129.02 2kjz h PRO 110 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2kjz h PRO 110 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2kjz h PRO 110 CO 0.55 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.09 2kjz n ASP 111 N -3.83 2.53 -1.15 -2.05 9.92 -1.26 -4.95 116.55 115.76 2kjz n ASP 111 Ca 0.15 -1.93 -0.10 0.00 -0.53 0.00 0.00 54.79 52.38 2kjz n ASP 111 Cb 0.94 -0.27 -0.00 0.00 -0.64 0.00 0.00 41.12 41.15 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 0.88 -3.37 -4.28 -2.24 7.64 -0.33 -3.93 113.62 107.99 2kjz n SER 112 Ca 0.17 -0.01 -0.28 0.00 1.01 0.00 0.00 58.87 59.76 2kjz n SER 112 Cb 0.42 -2.63 0.16 0.00 -1.01 0.00 0.00 64.21 61.16 2kjz n SER 112 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kjz s HIS 113 N -2.50 1.48 -0.25 1.43 3.76 -1.26 -3.85 115.29 114.09 2kjz s HIS 113 Ca 0.00 0.07 -0.05 0.00 -0.15 0.00 0.00 55.06 54.93 2kjz s HIS 113 Cb -0.00 -3.75 0.00 0.00 1.11 0.00 0.00 32.58 29.95 2kjz s HIS 113 CO 0.00 -2.38 0.00 1.03 -0.85 0.00 0.00 174.74 172.54 2kjz s ARG 114 N -5.65 3.20 -0.47 1.40 3.00 -1.22 -3.93 118.95 115.28 2kjz s ARG 114 Ca 0.72 -0.76 -0.10 0.00 0.00 0.00 0.00 55.73 55.59 2kjz s ARG 114 Cb -0.04 -3.15 0.12 0.00 0.00 0.00 0.00 34.95 31.88 2kjz s ARG 114 CO 0.50 -0.32 0.35 -0.51 0.00 0.00 0.00 175.30 175.33 2kjz s LEU 115 N 1.47 5.68 -0.59 2.53 1.43 -0.66 -1.00 118.68 127.54 2kjz s LEU 115 Ca 0.04 -1.85 -0.15 0.00 -1.03 0.00 0.00 54.13 51.14 2kjz s LEU 115 Cb -0.16 -2.03 0.15 0.00 0.03 0.00 0.00 46.19 44.18 2kjz s LEU 115 CO -0.01 -0.69 0.53 -0.60 0.23 0.00 0.00 176.35 175.81 2kjz s ARG 116 N 1.39 3.04 -0.29 1.70 3.52 -0.36 -1.20 118.95 126.76 2kjz s ARG 116 Ca 0.05 -1.88 -0.22 0.00 -0.13 0.00 0.00 55.73 53.55 2kjz s ARG 116 Cb -0.26 -4.27 -0.01 0.00 -1.56 0.00 0.00 34.95 28.85 2kjz s ARG 116 CO -0.00 -1.30 0.71 0.08 -0.81 0.00 0.00 175.30 173.98 2kjz s VAL 117 N 1.26 4.88 0.31 7.11 1.01 0.15 -0.52 120.40 134.59 2kjz s VAL 117 Ca 0.07 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.23 2kjz s VAL 117 Cb -0.25 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2kjz s VAL 117 CO 0.00 -0.14 -0.01 -0.72 0.00 0.00 0.00 175.10 174.23 2kjz s TYR 118 N 2.75 2.00 -0.22 5.22 1.13 -1.03 -0.53 117.35 126.67 2kjz s TYR 118 Ca 0.29 -0.79 0.00 0.00 -1.41 0.00 0.00 57.07 55.17 2kjz s TYR 118 Cb -0.15 -1.23 0.06 0.00 -1.10 0.00 0.00 41.96 39.54 2kjz s TYR 118 CO 0.11 0.20 -0.05 0.00 -2.51 0.00 0.00 175.55 173.30 2kjz s ALA 119 N -3.09 1.82 -0.34 9.51 0.00 0.16 -3.40 121.76 126.44 2kjz s ALA 119 Ca 0.32 -1.23 -0.27 0.00 0.00 0.00 0.00 51.96 50.78 2kjz s ALA 119 Cb 0.06 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.82 2kjz s ALA 119 CO 0.14 -1.14 0.99 0.12 0.00 0.00 0.00 175.76 175.87 2kjz s PHE 120 N 1.46 3.13 -0.87 0.00 5.36 -1.26 -0.99 117.98 124.81 2kjz s PHE 120 Ca -0.05 1.01 -0.25 0.00 -0.96 0.00 0.00 56.93 56.69 2kjz s PHE 120 Cb -0.18 -3.63 0.02 0.00 -0.34 0.00 0.00 43.02 38.89 2kjz s PHE 120 CO -0.07 -0.77 1.53 0.00 -1.46 0.00 0.00 175.22 174.45 2kjz s ALA 121 N 3.52 2.49 0.00 11.12 0.00 -1.26 -4.89 121.76 132.74 2kjz s ALA 121 Ca 0.42 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2kjz s ALA 121 Cb -0.12 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2kjz s ALA 121 CO 0.16 -3.75 0.00 0.41 0.00 0.00 0.00 175.76 172.59