#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 0.08 -0.33 3.17 2.01 -1.26 -5.15 115.64 114.16 2kjz s THR 2 Ca 0.00 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 2kjz s THR 2 Cb 0.00 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 2kjz s THR 2 CO 0.00 -0.36 0.20 -1.00 -0.69 0.00 0.00 174.62 172.77 2kjz s HIS 3 N -1.06 3.21 -1.07 4.92 0.09 -1.26 -5.05 115.29 115.06 2kjz s HIS 3 Ca -0.12 -0.45 -0.18 0.00 -0.00 0.00 0.00 55.06 54.31 2kjz s HIS 3 Cb -0.07 -2.42 0.11 0.00 -0.00 0.00 0.00 32.58 30.20 2kjz s HIS 3 CO -0.01 -0.43 1.37 -1.25 -0.00 0.00 0.00 174.74 174.42 2kjz s PRO 4 N 1.66 3.77 -0.03 8.40 0.04 -1.26 -4.78 135.00 142.80 2kjz s PRO 4 Ca 0.05 -1.83 0.19 0.00 0.04 0.00 0.00 61.00 59.45 2kjz s PRO 4 Cb -0.17 -5.16 0.60 0.00 0.04 0.00 0.00 34.50 29.81 2kjz s PRO 4 CO 0.08 -1.95 1.51 -3.47 0.04 0.00 0.00 177.00 173.21 2kjz n ASP 5 N 7.19 3.97 -3.94 6.66 2.03 -1.26 -4.93 116.55 126.27 2kjz n ASP 5 Ca 0.33 -2.14 -0.21 0.00 0.52 0.00 0.00 54.79 53.30 2kjz n ASP 5 Cb 0.48 -0.47 -0.16 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.26 0.90 0.03 -0.67 5.36 -1.26 -2.78 117.98 118.30 2kjz s PHE 6 Ca 0.45 -0.26 0.05 0.00 -0.96 0.00 0.00 56.93 56.21 2kjz s PHE 6 Cb 0.25 -0.72 -0.02 0.00 -0.34 0.00 0.00 43.02 42.19 2kjz s PHE 6 CO 0.27 -0.18 -0.16 -0.08 -1.46 0.00 0.00 175.22 173.62 2kjz s THR 7 N 0.66 1.28 -0.02 0.12 -1.32 -0.93 -5.03 115.64 110.41 2kjz s THR 7 Ca -0.10 -0.97 0.05 0.00 -1.21 0.00 0.00 61.69 59.46 2kjz s THR 7 Cb -0.13 -1.12 -0.01 0.00 -1.51 0.00 0.00 72.50 69.73 2kjz s THR 7 CO 0.01 0.14 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.76 2kjz s ILE 8 N -0.72 1.35 -0.06 5.08 1.01 -1.26 -1.49 121.20 125.10 2kjz s ILE 8 Ca 0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 2kjz s ILE 8 Cb -0.08 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 2kjz s ILE 8 CO 0.01 0.39 0.33 -0.76 0.00 0.00 0.00 174.94 174.91 2kjz s LEU 9 N -0.30 4.40 -0.73 2.97 1.43 -0.93 -4.95 118.68 120.56 2kjz s LEU 9 Ca 0.04 0.76 -0.26 0.00 -1.03 0.00 0.00 54.13 53.64 2kjz s LEU 9 Cb -0.08 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.72 2kjz s LEU 9 CO -0.00 0.28 1.46 -0.72 0.23 0.00 0.00 176.35 177.60 2kjz s TYR 10 N -0.66 2.13 0.41 0.29 1.13 -1.26 -2.37 117.35 117.01 2kjz s TYR 10 Ca 0.20 0.12 0.08 0.00 -1.41 0.00 0.00 57.07 56.06 2kjz s TYR 10 Cb -0.15 -4.48 -0.03 0.00 -1.10 0.00 0.00 41.96 36.20 2kjz s TYR 10 CO 0.09 -2.12 0.29 0.14 -2.51 0.00 0.00 175.55 171.45 2kjz s VAL 11 N 6.68 2.54 0.00 -3.49 -7.23 -0.63 -4.90 120.40 113.37 2kjz s VAL 11 Ca 0.45 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.07 2kjz s VAL 11 Cb -0.08 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 2kjz s VAL 11 CO 0.14 -0.01 -0.11 -0.67 -0.31 0.00 0.00 175.10 174.14 2kjz n ASP 12 N -1.41 1.33 -4.28 4.85 2.03 -1.26 -0.79 116.55 117.02 2kjz n ASP 12 Ca 0.01 0.19 -0.44 0.00 0.52 0.00 0.00 54.79 55.08 2kjz n ASP 12 Cb 0.63 -0.46 -0.06 0.00 -0.72 0.00 0.00 41.12 40.51 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 -5.90 6.10 0.19 1.67 2.47 -1.26 -4.62 114.94 113.59 2kjz s ASN 13 Ca -0.09 -1.98 -0.15 0.00 0.42 0.00 0.00 52.86 51.06 2kjz s ASN 13 Cb 0.01 -2.14 0.19 0.00 -1.45 0.00 0.00 41.25 37.86 2kjz s ASN 13 CO 0.14 -0.76 1.64 -0.65 -3.72 0.00 0.00 177.10 173.75 2kjz h PRO 14 N 8.56 0.01 0.88 0.43 0.11 -1.93 -1.49 132.00 138.57 2kjz h PRO 14 Ca -0.21 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.85 2kjz h PRO 14 Cb 1.08 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 2kjz h PRO 14 CO 0.94 0.00 -0.42 -1.35 -0.21 0.00 0.00 178.00 176.96 2kjz h PRO 15 N 0.01 -1.14 -0.79 1.05 0.11 -1.95 -2.70 132.00 126.60 2kjz h PRO 15 Ca 0.26 0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.43 2kjz h PRO 15 Cb 0.40 0.26 -0.04 0.00 0.11 0.00 0.00 31.00 31.74 2kjz h PRO 15 CO -0.56 -0.75 0.40 0.00 -0.21 0.00 0.00 178.00 176.88 2kjz h ALA 16 N -1.11 1.22 0.21 -0.75 0.00 -1.96 -1.18 119.26 115.68 2kjz h ALA 16 Ca -0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kjz h ALA 16 Cb 0.91 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kjz h ALA 16 CO 0.20 0.61 -0.12 0.77 0.00 0.00 0.00 179.25 180.71 2kjz h SER 17 N 1.11 -0.29 0.71 0.00 0.02 -1.34 -2.92 113.55 110.84 2kjz h SER 17 Ca 0.28 0.02 -0.26 0.00 -0.84 0.00 0.00 61.79 60.98 2kjz h SER 17 Cb 0.07 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2kjz h SER 17 CO -0.04 -0.19 -1.21 0.74 -1.14 0.00 0.00 176.83 174.99 2kjz h THR 18 N -0.31 1.52 -0.50 -2.27 2.02 -1.05 -2.45 112.91 109.87 2kjz h THR 18 Ca -0.02 -3.13 -0.08 0.00 0.77 0.00 0.00 66.41 63.95 2kjz h THR 18 Cb 0.25 2.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.54 2kjz h THR 18 CO 0.03 0.90 -0.00 1.56 0.37 0.00 0.00 175.52 178.38 2kjz h GLN 19 N 0.05 0.84 -0.54 6.66 1.08 -1.35 0.24 115.11 122.08 2kjz h GLN 19 Ca -0.11 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 56.85 2kjz h GLN 19 Cb 1.93 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 29.24 2kjz h GLN 19 CO 0.18 0.84 0.32 0.35 -0.95 0.00 0.00 178.83 179.57 2kjz h PHE 20 N 0.78 0.72 0.00 2.96 3.57 -1.30 -2.45 116.94 121.21 2kjz h PHE 20 Ca 0.15 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 2kjz h PHE 20 Cb 0.47 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2kjz h PHE 20 CO 0.03 0.50 -0.47 1.88 -2.23 0.00 0.00 178.31 178.01 2kjz h TYR 21 N 0.73 0.00 -0.09 0.41 -1.99 -1.13 -1.68 116.97 113.22 2kjz h TYR 21 Ca 0.19 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.95 2kjz h TYR 21 Cb -0.01 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.69 2kjz h TYR 21 CO -0.02 0.47 -0.09 0.87 -0.00 0.00 0.00 178.16 179.39 2kjz h LYS 22 N 0.00 -0.11 0.03 4.88 1.57 -0.47 -1.45 116.57 121.00 2kjz h LYS 22 Ca -0.00 0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.53 2kjz h LYS 22 Cb 0.94 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.29 2kjz h LYS 22 CO 0.06 -0.08 -1.05 0.00 -0.57 0.00 0.00 179.45 177.82 2kjz h ALA 23 N 0.94 0.20 -0.68 3.86 0.00 -1.54 -0.14 119.26 121.91 2kjz h ALA 23 Ca 0.07 -0.72 0.01 0.00 0.00 0.00 0.00 54.91 54.26 2kjz h ALA 23 Cb 0.21 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2kjz h ALA 23 CO -0.16 0.75 0.45 1.25 0.00 0.00 0.00 179.25 181.54 2kjz h LEU 24 N 0.30 0.76 0.04 0.00 5.85 -1.14 -3.02 115.31 118.10 2kjz h LEU 24 Ca -0.12 -0.02 -0.38 0.00 0.84 0.00 0.00 57.88 58.20 2kjz h LEU 24 Cb 1.70 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.49 2kjz h LEU 24 CO 0.19 0.55 -2.31 0.18 -0.34 0.00 0.00 178.44 176.71 2kjz n LEU 25 N -4.44 2.78 -0.01 2.25 4.77 -0.56 -5.03 117.00 116.76 2kjz n LEU 25 Ca 0.07 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2kjz n LEU 25 Cb 0.05 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 2kjz n LEU 25 CO 0.36 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 2kjz n GLY 26 N 2.09 1.53 2.98 -0.72 0.00 -0.19 -5.10 105.19 105.78 2kjz n GLY 26 Ca -0.42 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.68 0.00 -4.05 1.61 0.24 -0.47 -5.01 118.33 108.96 2kjz n VAL 27 Ca 0.00 -2.10 -0.09 0.00 -2.04 0.00 0.00 64.34 60.11 2kjz n VAL 27 Cb 0.13 0.73 -0.11 0.00 -1.47 0.00 0.00 33.84 33.12 2kjz n VAL 27 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2kjz s ASP 28 N -3.23 0.55 -0.17 -1.34 -4.77 -1.26 -4.42 116.67 102.03 2kjz s ASP 28 Ca 0.17 -0.73 -0.29 0.00 -3.30 0.00 0.00 52.55 48.40 2kjz s ASP 28 Cb 0.01 0.12 -0.03 0.00 -1.09 0.00 0.00 42.92 41.93 2kjz s ASP 28 CO 0.12 -0.39 1.53 -2.84 0.70 0.00 0.00 175.17 174.28 2kjz s PRO 29 N -2.53 4.00 0.18 2.11 0.02 -1.26 -4.73 135.00 132.79 2kjz s PRO 29 Ca -0.04 1.77 -0.10 0.00 0.02 0.00 0.00 61.00 62.66 2kjz s PRO 29 Cb -0.03 -3.95 0.08 0.00 0.02 0.00 0.00 34.50 30.62 2kjz s PRO 29 CO -0.04 -1.03 1.67 -0.24 -0.33 0.00 0.00 177.00 177.02 2kjz h VAL 30 N 5.84 1.26 -3.32 3.83 3.04 -1.67 -3.42 116.25 121.81 2kjz h VAL 30 Ca -0.33 -1.05 -0.65 0.00 -1.01 0.00 0.00 66.70 63.65 2kjz h VAL 30 Cb 1.14 0.71 -0.26 0.00 -2.01 0.00 0.00 31.29 30.87 2kjz h VAL 30 CO 0.98 0.39 -0.75 -1.61 -1.01 0.00 0.00 177.57 175.57 2kjz s GLU 31 N -5.16 3.41 -0.06 4.17 0.41 -0.60 -5.05 118.70 115.82 2kjz s GLU 31 Ca -0.12 -0.66 0.03 0.00 -0.41 0.00 0.00 54.97 53.81 2kjz s GLU 31 Cb 0.14 -2.70 0.01 0.00 -1.78 0.00 0.00 34.13 29.79 2kjz s GLU 31 CO 0.85 0.17 -0.14 0.45 -0.49 0.00 0.00 175.26 176.09 2kjz s SER 32 N 0.48 1.91 0.03 -0.19 0.15 -1.26 -1.26 113.70 113.56 2kjz s SER 32 Ca -0.08 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.26 2kjz s SER 32 Cb -0.15 -0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 63.37 2kjz s SER 32 CO 0.04 0.08 -0.06 -0.55 1.20 0.00 0.00 173.24 173.95 2kjz s SER 33 N 0.44 0.61 0.35 5.45 0.15 -0.31 -5.03 113.70 115.37 2kjz s SER 33 Ca -0.11 -0.43 0.24 0.00 0.70 0.00 0.00 55.95 56.35 2kjz s SER 33 Cb -0.14 0.03 1.30 0.00 -1.71 0.00 0.00 66.02 65.50 2kjz s SER 33 CO 0.03 -0.17 1.73 1.55 1.20 0.00 0.00 173.24 177.59 2kjz h PRO 34 N 4.89 0.00 0.00 5.44 0.13 -2.02 -2.76 132.00 137.68 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kjz h PRO 34 CO 0.43 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 175.83 2kjz n THR 35 N -2.34 0.45 -3.54 1.56 5.66 -1.26 -4.77 114.28 110.04 2kjz n THR 35 Ca -0.02 -0.51 -0.15 0.00 -3.05 0.00 0.00 64.05 60.32 2kjz n THR 35 Cb 0.04 0.87 -0.05 0.00 -1.55 0.00 0.00 70.33 69.64 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 -0.45 -0.52 0.02 1.09 5.36 -1.04 -3.04 117.98 119.41 2kjz s PHE 36 Ca 0.00 0.70 0.01 0.00 -0.96 0.00 0.00 56.93 56.68 2kjz s PHE 36 Cb 0.00 0.39 -0.02 0.00 -0.34 0.00 0.00 43.02 43.05 2kjz s PHE 36 CO 0.00 -0.65 -0.05 -1.12 -1.46 0.00 0.00 175.22 171.95 2kjz s SER 37 N -1.74 0.50 -0.10 6.13 0.01 -0.45 -1.16 113.70 116.88 2kjz s SER 37 Ca -0.07 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.70 2kjz s SER 37 Cb -0.01 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.32 2kjz s SER 37 CO 0.02 -0.20 0.23 -0.22 0.41 0.00 0.00 173.24 173.48 2kjz s LEU 38 N -1.26 0.39 0.04 2.44 1.98 -0.39 -1.15 118.68 120.73 2kjz s LEU 38 Ca -0.11 0.50 0.03 0.00 -2.89 0.00 0.00 54.13 51.66 2kjz s LEU 38 Cb -0.08 0.68 -0.02 0.00 0.66 0.00 0.00 46.19 47.43 2kjz s LEU 38 CO -0.00 -0.17 -0.09 0.72 -1.89 0.00 0.00 176.35 174.92 2kjz s PHE 39 N 1.34 0.79 -0.12 5.38 -0.12 -0.91 -1.56 117.98 122.79 2kjz s PHE 39 Ca -0.08 -0.42 0.03 0.00 -0.05 0.00 0.00 56.93 56.40 2kjz s PHE 39 Cb -0.11 -0.47 0.00 0.00 -0.63 0.00 0.00 43.02 41.82 2kjz s PHE 39 CO -0.08 -0.04 -0.22 0.08 -0.05 0.00 0.00 175.22 174.91 2kjz s VAL 40 N -1.14 2.16 0.11 -2.49 1.01 -1.26 -1.81 120.40 116.98 2kjz s VAL 40 Ca -0.06 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 2kjz s VAL 40 Cb -0.09 -1.85 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 2kjz s VAL 40 CO 0.01 0.55 0.55 -0.76 0.00 0.00 0.00 175.10 175.45 2kjz s LEU 41 N 0.54 4.43 0.25 3.92 1.43 -0.39 -4.97 118.68 123.89 2kjz s LEU 41 Ca -0.13 1.16 0.22 0.00 -1.03 0.00 0.00 54.13 54.35 2kjz s LEU 41 Cb -0.17 -3.07 0.97 0.00 0.03 0.00 0.00 46.19 43.95 2kjz s LEU 41 CO 0.04 0.19 1.68 0.00 0.23 0.00 0.00 176.35 178.49 2kjz n ALA 42 N 1.27 1.56 0.60 4.21 0.00 -1.26 -1.55 120.51 125.33 2kjz n ALA 42 Ca -0.08 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2kjz n ALA 42 Cb 0.51 -1.36 0.37 0.00 0.00 0.00 0.00 19.45 18.97 2kjz n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kjz n ASN 43 N -2.18 0.00 0.00 0.00 5.15 -1.26 -4.89 115.26 112.08 2kjz n ASN 43 Ca 0.02 0.49 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 2kjz n ASN 43 Cb 0.19 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 2kjz n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kjz n GLY 44 N 0.27 0.68 4.00 8.20 0.00 -0.60 -5.11 105.19 112.63 2kjz n GLY 44 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.58 2.52 0.00 1.61 0.23 -1.23 -4.95 119.30 116.91 2kjz s MET 45 Ca 0.00 -1.15 0.02 0.00 -1.03 0.00 0.00 55.69 53.53 2kjz s MET 45 Cb 0.00 -2.61 -0.01 0.00 -1.53 0.00 0.00 34.83 30.68 2kjz s MET 45 CO 0.00 -0.64 -0.07 0.21 -2.03 0.00 0.00 175.02 172.49 2kjz s LYS 46 N -4.62 0.53 -0.06 3.16 2.20 -1.12 -1.26 119.74 118.58 2kjz s LYS 46 Ca 0.58 -0.33 -0.02 0.00 -0.36 0.00 0.00 55.97 55.83 2kjz s LYS 46 Cb -0.09 -0.49 0.04 0.00 -1.51 0.00 0.00 37.83 35.78 2kjz s LYS 46 CO 0.37 0.13 0.11 -1.17 -0.36 0.00 0.00 175.35 174.42 2kjz s LEU 47 N -0.42 0.31 0.38 5.43 0.20 -0.75 -2.18 118.68 121.66 2kjz s LEU 47 Ca 0.00 0.21 0.08 0.00 0.69 0.00 0.00 54.13 55.11 2kjz s LEU 47 Cb -0.04 0.11 -0.03 0.00 -0.43 0.00 0.00 46.19 45.81 2kjz s LEU 47 CO -0.00 -0.21 0.31 -0.83 -0.29 0.00 0.00 176.35 175.33 2kjz s GLY 48 N 1.86 2.02 -0.22 7.98 0.00 -0.56 -2.13 107.32 116.27 2kjz s GLY 48 Ca -0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 44.72 42.87 2kjz s GLY 48 CO -0.05 -1.68 0.05 1.08 0.00 0.00 0.00 173.10 172.50 2kjz s LEU 49 N -4.04 1.38 -0.17 0.66 1.02 -0.30 -2.19 118.68 115.04 2kjz s LEU 49 Ca 0.44 -0.99 -0.06 0.00 0.02 0.00 0.00 54.13 53.54 2kjz s LEU 49 Cb -0.03 -0.65 -0.04 0.00 0.02 0.00 0.00 46.19 45.49 2kjz s LEU 49 CO 0.26 -0.33 0.03 0.86 0.02 0.00 0.00 176.35 177.20 2kjz s TRP 50 N 1.81 3.19 -0.19 0.29 -0.00 -1.00 -1.35 118.94 121.70 2kjz s TRP 50 Ca 0.01 -0.01 -0.29 0.00 -0.00 0.00 0.00 56.10 55.81 2kjz s TRP 50 Cb -0.17 -2.03 0.00 0.00 -0.00 0.00 0.00 33.47 31.27 2kjz s TRP 50 CO -0.12 0.13 1.03 -1.12 -0.00 0.00 0.00 176.95 176.87 2kjz s SER 51 N 0.29 7.14 0.25 5.86 0.01 -1.17 -1.61 113.70 124.47 2kjz s SER 51 Ca 0.02 1.42 0.21 0.00 1.31 0.00 0.00 55.95 58.91 2kjz s SER 51 Cb -0.13 -2.54 0.96 0.00 0.21 0.00 0.00 66.02 64.52 2kjz s SER 51 CO 0.01 -0.61 1.63 -2.11 0.41 0.00 0.00 173.24 172.58 2kjz n ARG 52 N 5.94 0.15 0.00 12.44 1.85 0.03 -1.84 116.66 135.23 2kjz n ARG 52 Ca 0.11 0.49 0.12 0.00 -1.00 0.00 0.00 57.85 57.57 2kjz n ARG 52 Cb 0.47 -1.85 0.55 0.00 -1.05 0.00 0.00 32.46 30.57 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 -2.15 0.00 -0.85 2.89 1.44 -1.26 -3.43 115.22 111.86 2kjz n HIS 53 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 2kjz n HIS 53 Cb 0.14 -0.41 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 -1.41 0.10 -1.74 0.61 5.66 -0.77 -5.08 114.28 111.66 2kjz n THR 54 Ca 0.08 -0.13 -0.38 0.00 -3.05 0.00 0.00 64.05 60.58 2kjz n THR 54 Cb 0.24 1.26 0.05 0.00 -1.55 0.00 0.00 70.33 70.33 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 4.31 -3.89 1.08 3.14 -1.04 -4.94 118.33 116.95 2kjz n VAL 55 Ca 0.00 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.59 2kjz n VAL 55 Cb 0.37 -1.59 -0.16 0.00 -1.06 0.00 0.00 33.84 31.40 2kjz n VAL 55 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2kjz s GLU 56 N -3.09 1.39 0.28 1.45 2.02 -1.26 -1.67 118.70 117.83 2kjz s GLU 56 Ca 0.76 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 54.70 2kjz s GLU 56 Cb -0.40 -2.36 -0.09 0.00 0.10 0.00 0.00 34.13 31.37 2kjz s GLU 56 CO 0.45 -0.57 1.06 -1.25 0.02 0.00 0.00 175.26 174.98 2kjz s PRO 57 N 1.54 4.65 -0.26 0.39 0.04 -1.26 -5.10 135.00 135.00 2kjz s PRO 57 Ca -0.03 1.71 -0.37 0.00 0.04 0.00 0.00 61.00 62.34 2kjz s PRO 57 Cb -0.18 -3.16 -0.13 0.00 0.04 0.00 0.00 34.50 31.07 2kjz s PRO 57 CO -0.07 0.26 1.93 1.63 0.04 0.00 0.00 177.00 180.79 2kjz n LYS 58 N 1.15 1.35 -3.42 4.56 4.76 -0.67 -4.96 118.16 120.93 2kjz n LYS 58 Ca -0.01 0.46 -0.15 0.00 -2.87 0.00 0.00 58.31 55.74 2kjz n LYS 58 Cb 0.46 -2.34 -0.11 0.00 -1.84 0.00 0.00 35.03 31.20 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 4.99 -0.57 -0.93 7.82 0.00 -1.26 -5.08 121.76 126.74 2kjz s ALA 59 Ca 1.01 0.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 2kjz s ALA 59 Cb -0.92 -1.56 0.22 0.00 0.00 0.00 0.00 23.12 20.86 2kjz s ALA 59 CO 0.57 -1.37 0.94 -1.54 0.00 0.00 0.00 175.76 174.35 2kjz s SER 60 N 2.40 6.89 0.00 0.00 1.04 -1.26 -4.79 113.70 117.99 2kjz s SER 60 Ca 0.09 -2.82 0.00 0.00 0.48 0.00 0.00 55.95 53.71 2kjz s SER 60 Cb -0.15 -2.25 -0.00 0.00 0.10 0.00 0.00 66.02 63.72 2kjz s SER 60 CO -0.19 -0.59 -0.01 0.68 0.98 0.00 0.00 173.24 174.11 2kjz s VAL 61 N 0.30 0.04 -0.17 5.02 -7.23 -1.26 -5.15 120.40 111.95 2kjz s VAL 61 Ca 0.24 -0.22 -0.10 0.00 -1.81 0.00 0.00 61.98 60.08 2kjz s VAL 61 Cb -0.09 -0.08 0.05 0.00 0.56 0.00 0.00 36.38 36.83 2kjz s VAL 61 CO -0.08 -0.12 0.41 0.42 -0.31 0.00 0.00 175.10 175.42 2kjz s THR 62 N -0.35 -0.02 0.09 5.32 -4.23 -1.26 -5.00 115.64 110.20 2kjz s THR 62 Ca -0.04 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 2kjz s THR 62 Cb -0.02 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.21 2kjz s THR 62 CO -0.00 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2kjz n GLY 63 N 3.92 -1.82 2.67 3.99 0.00 -1.12 -5.01 105.19 107.83 2kjz n GLY 63 Ca -0.21 0.57 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.35 -1.55 3.14 -0.02 0.00 -1.16 -4.57 105.19 99.68 2kjz n GLY 64 Ca 0.00 0.90 -0.28 0.00 0.00 0.00 0.00 46.02 46.64 2kjz n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kjz s GLY 65 N -0.25 1.07 0.13 -0.02 0.00 -1.26 -4.91 107.32 102.07 2kjz s GLY 65 Ca 0.23 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2kjz s GLY 65 CO -0.15 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.33 2kjz n GLY 66 N 3.47 -3.94 3.35 0.20 0.00 -1.26 -4.56 105.19 102.45 2kjz n GLY 66 Ca -0.20 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.29 1.48 -0.29 1.61 2.02 -1.26 -2.95 118.70 116.02 2kjz s GLU 67 Ca 0.00 -1.23 0.03 0.00 0.02 0.00 0.00 54.97 53.80 2kjz s GLU 67 Cb 0.00 -1.83 0.07 0.00 0.10 0.00 0.00 34.13 32.47 2kjz s GLU 67 CO 0.00 0.45 -0.05 -1.17 0.02 0.00 0.00 175.26 174.51 2kjz s LEU 68 N -1.73 3.85 -0.22 1.80 2.96 -0.59 -5.00 118.68 119.74 2kjz s LEU 68 Ca 0.12 -1.66 -0.18 0.00 -0.22 0.00 0.00 54.13 52.19 2kjz s LEU 68 Cb -0.10 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2kjz s LEU 68 CO 0.04 -0.26 0.51 0.00 -1.32 0.00 0.00 176.35 175.32 2kjz s ALA 69 N 1.05 3.56 -0.41 5.97 0.00 -1.26 -1.17 121.76 129.50 2kjz s ALA 69 Ca -0.02 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 2kjz s ALA 69 Cb -0.20 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.14 2kjz s ALA 69 CO -0.06 -0.53 0.28 -0.06 0.00 0.00 0.00 175.76 175.38 2kjz s PHE 70 N 1.85 3.26 -0.21 0.00 0.40 0.14 -5.00 117.98 118.42 2kjz s PHE 70 Ca 0.23 -0.93 -0.19 0.00 -0.60 0.00 0.00 56.93 55.44 2kjz s PHE 70 Cb -0.15 -2.70 -0.03 0.00 0.51 0.00 0.00 43.02 40.64 2kjz s PHE 70 CO 0.09 -0.69 0.54 1.03 0.70 0.00 0.00 175.22 176.89 2kjz s ARG 71 N 1.59 4.18 0.20 0.44 0.52 -1.26 -2.37 118.95 122.24 2kjz s ARG 71 Ca 0.03 0.44 0.08 0.00 -0.52 0.00 0.00 55.73 55.76 2kjz s ARG 71 Cb -0.21 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.64 2kjz s ARG 71 CO 0.07 -0.19 -0.15 0.14 0.02 0.00 0.00 175.30 175.18 2kjz s VAL 72 N 1.78 1.76 0.26 3.52 -7.23 -1.17 -5.03 120.40 114.29 2kjz s VAL 72 Ca 0.25 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2kjz s VAL 72 Cb -0.15 -1.99 0.01 0.00 0.56 0.00 0.00 36.38 34.81 2kjz s VAL 72 CO 0.10 -0.53 1.64 1.05 -0.31 0.00 0.00 175.10 177.04 2kjz h GLU 73 N 2.72 0.40 -2.89 4.82 4.11 -1.97 -3.34 114.58 118.43 2kjz h GLU 73 Ca -0.39 -0.20 0.03 0.00 0.07 0.00 0.00 59.36 58.87 2kjz h GLU 73 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2kjz h GLU 73 CO 0.59 0.75 0.33 0.54 0.07 0.00 0.00 179.01 181.30 2kjz s ASN 74 N -6.86 -0.03 0.44 3.06 2.20 -1.26 -4.63 114.94 107.85 2kjz s ASN 74 Ca -0.06 -0.97 0.10 0.00 -0.94 0.00 0.00 52.86 50.99 2kjz s ASN 74 Cb 0.13 0.76 0.98 0.00 -2.00 0.00 0.00 41.25 41.12 2kjz s ASN 74 CO 0.80 -1.50 2.06 -2.24 -2.94 0.00 0.00 177.10 173.27 2kjz h ASP 75 N 2.00 0.36 -0.32 3.54 2.03 -1.91 -1.90 116.42 120.22 2kjz h ASP 75 Ca -0.30 -0.01 -0.15 0.00 -0.73 0.00 0.00 57.03 55.85 2kjz h ASP 75 Cb 1.24 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.65 2kjz h ASP 75 CO 0.37 0.25 -0.37 0.00 -1.03 0.00 0.00 179.24 178.46 2kjz h ALA 76 N 1.78 0.66 0.00 4.15 0.00 -1.98 -2.81 119.26 121.06 2kjz h ALA 76 Ca 0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2kjz h ALA 76 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kjz h ALA 76 CO -0.04 0.67 -0.14 1.96 0.00 0.00 0.00 179.25 181.71 2kjz h GLN 77 N 0.71 0.00 -0.28 0.00 1.08 -1.77 -1.14 115.11 113.71 2kjz h GLN 77 Ca 0.06 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 2kjz h GLN 77 Cb 0.94 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 2kjz h GLN 77 CO 0.09 0.14 -0.21 0.28 -0.95 0.00 0.00 178.83 178.17 2kjz h VAL 78 N 0.00 1.30 -0.17 -0.54 2.07 -1.42 -2.79 116.25 114.70 2kjz h VAL 78 Ca -0.00 -1.35 -0.11 0.00 0.82 0.00 0.00 66.70 66.06 2kjz h VAL 78 Cb 0.41 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2kjz h VAL 78 CO 0.02 0.43 -0.35 -0.78 0.02 0.00 0.00 177.57 176.90 2kjz h ASP 79 N 0.37 0.38 -0.31 0.57 3.58 -1.18 -0.08 116.42 119.75 2kjz h ASP 79 Ca 0.05 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.31 2kjz h ASP 79 Cb 0.76 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 2kjz h ASP 79 CO 0.06 0.71 0.03 -0.33 -2.88 0.00 0.00 179.24 176.83 2kjz h GLU 80 N 0.31 0.53 0.00 0.28 5.08 -1.26 -2.72 114.58 116.80 2kjz h GLU 80 Ca 0.04 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2kjz h GLU 80 Cb 0.77 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2kjz h GLU 80 CO 0.06 0.64 -0.38 1.15 -1.00 0.00 0.00 179.01 179.48 2kjz h THR 81 N 0.34 1.12 0.88 1.13 2.02 -1.25 -1.78 112.91 115.37 2kjz h THR 81 Ca 0.09 -1.36 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 2kjz h THR 81 Cb 0.38 1.76 0.01 0.00 -1.74 0.00 0.00 68.15 68.56 2kjz h THR 81 CO 0.01 0.37 -0.43 0.15 0.37 0.00 0.00 175.52 175.99 2kjz h PHE 82 N 0.00 -1.11 -0.25 3.16 3.04 -0.81 -2.07 116.94 118.90 2kjz h PHE 82 Ca -0.00 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.83 2kjz h PHE 82 Cb 0.73 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.60 2kjz h PHE 82 CO 0.00 -0.69 -0.22 0.00 -2.02 0.00 0.00 178.31 175.38 2kjz h ALA 83 N -1.44 1.16 -0.28 2.41 0.00 -1.48 -1.57 119.26 118.06 2kjz h ALA 83 Ca -0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2kjz h ALA 83 Cb 0.91 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2kjz h ALA 83 CO 0.20 0.53 0.14 0.78 0.00 0.00 0.00 179.25 180.90 2kjz h GLY 84 N 0.99 0.43 0.91 0.00 0.00 -1.36 -1.21 103.07 102.84 2kjz h GLY 84 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2kjz h GLY 84 CO 0.04 0.20 0.11 1.49 0.00 0.00 0.00 176.54 178.39 2kjz h TRP 85 N 0.33 0.50 -0.78 5.60 4.06 -1.14 -1.71 115.95 122.80 2kjz h TRP 85 Ca 0.10 -0.05 0.06 0.00 2.06 0.00 0.00 58.89 61.06 2kjz h TRP 85 Cb 0.11 -0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.06 2kjz h TRP 85 CO -0.02 0.50 0.47 -0.22 -3.56 0.00 0.00 178.44 175.61 2kjz h LYS 86 N 0.36 0.84 0.00 0.49 3.64 -1.19 -1.06 116.57 119.65 2kjz h LYS 86 Ca 0.10 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2kjz h LYS 86 Cb 0.22 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2kjz h LYS 86 CO -0.01 0.55 -0.42 0.00 -2.27 0.00 0.00 179.45 177.31 2kjz h ALA 87 N 1.38 1.06 -0.37 5.00 0.00 -1.13 -3.15 119.26 122.07 2kjz h ALA 87 Ca 0.35 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kjz h ALA 87 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kjz h ALA 87 CO -0.18 0.53 0.00 0.45 0.00 0.00 0.00 179.25 180.05 2kjz n SER 88 N -3.69 2.12 -0.47 0.00 2.88 -0.45 -4.92 113.62 109.08 2kjz n SER 88 Ca -0.01 -1.95 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 2kjz n SER 88 Cb 0.51 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 1.15 0.65 3.87 0.46 0.00 -0.90 -5.00 105.19 105.43 2kjz n GLY 89 Ca 0.14 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.30 5.15 0.34 1.61 0.11 -1.02 -4.76 120.40 119.52 2kjz s VAL 90 Ca 0.00 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.65 2kjz s VAL 90 Cb 0.00 -3.47 0.18 0.00 -1.53 0.00 0.00 36.38 31.56 2kjz s VAL 90 CO 0.00 0.19 1.90 0.00 -3.33 0.00 0.00 175.10 173.86 2kjz h ALA 91 N 3.36 1.40 -4.77 1.54 0.00 -1.53 -3.44 119.26 115.81 2kjz h ALA 91 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2kjz h ALA 91 Cb 1.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kjz h ALA 91 CO 0.71 0.43 -0.50 -0.12 0.00 0.00 0.00 179.25 179.78 2kjz n MET 92 N -4.32 -2.13 -3.57 0.00 0.00 -1.25 -4.94 117.12 100.90 2kjz n MET 92 Ca 0.03 1.93 -0.28 0.00 0.00 0.00 0.00 57.70 59.38 2kjz n MET 92 Cb 0.20 -4.73 -0.12 0.00 0.00 0.00 0.00 33.22 28.57 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 -2.01 2.18 0.00 -0.89 -0.00 -1.26 -4.98 118.68 111.72 2kjz s LEU 93 Ca 0.15 -2.87 0.00 0.00 -0.00 0.00 0.00 54.13 51.40 2kjz s LEU 93 Cb -0.04 -0.77 0.00 0.00 -0.00 0.00 0.00 46.19 45.38 2kjz s LEU 93 CO 0.61 -0.21 0.00 1.67 -0.00 0.00 0.00 176.35 178.42 2kjz n GLN 94 N 3.16 0.00 -3.16 1.48 -0.06 -1.26 -4.80 117.38 112.74 2kjz n GLN 94 Ca 0.19 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.78 2kjz n GLN 94 Cb 0.40 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.51 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 -0.83 4.09 -0.28 3.69 -0.21 -1.26 -4.82 119.66 120.05 2kjz s GLN 95 Ca 0.00 0.45 -0.33 0.00 0.02 0.00 0.00 55.36 55.50 2kjz s GLN 95 Cb 0.00 -3.65 -0.10 0.00 1.00 0.00 0.00 33.01 30.26 2kjz s GLN 95 CO 0.00 -0.39 2.16 -2.30 -2.12 0.00 0.00 175.29 172.64 2kjz n PRO 96 N 5.64 1.48 -4.13 2.91 -0.02 -1.26 -4.82 135.00 134.80 2kjz n PRO 96 Ca -0.02 0.43 -0.15 0.00 -2.02 0.00 0.00 63.50 61.74 2kjz n PRO 96 Cb 0.49 -2.71 -0.12 0.00 -0.02 0.00 0.00 33.50 31.14 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 7.17 0.65 -0.53 3.55 0.00 -0.52 -4.94 121.76 127.15 2kjz s ALA 97 Ca 1.05 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.07 2kjz s ALA 97 Cb -0.68 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 2kjz s ALA 97 CO 0.45 0.05 1.60 0.15 0.00 0.00 0.00 175.76 178.02 2kjz s LYS 98 N -1.20 3.14 0.44 0.00 -0.14 -1.26 -1.43 119.74 119.29 2kjz s LYS 98 Ca -0.05 0.69 0.08 0.00 -1.36 0.00 0.00 55.97 55.33 2kjz s LYS 98 Cb -0.08 -4.20 0.01 0.00 -1.68 0.00 0.00 37.83 31.88 2kjz s LYS 98 CO 0.00 -2.12 0.53 1.41 -0.76 0.00 0.00 175.35 174.42 2kjz s MET 99 N 5.92 2.67 0.45 1.68 -2.45 -0.22 -4.96 119.30 122.39 2kjz s MET 99 Ca 0.62 -1.39 0.24 0.00 -1.25 0.00 0.00 55.69 53.90 2kjz s MET 99 Cb -0.14 -2.62 1.24 0.00 1.25 0.00 0.00 34.83 34.56 2kjz s MET 99 CO 0.26 -0.32 1.81 0.93 1.05 0.00 0.00 175.02 178.74 2kjz h GLU 100 N 0.71 0.26 -0.01 4.11 4.39 -2.03 -1.85 114.58 120.16 2kjz h GLU 100 Ca -0.39 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2kjz h GLU 100 Cb 1.28 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2kjz h GLU 100 CO 0.48 0.17 -0.52 1.19 -1.16 0.00 0.00 179.01 179.17 2kjz n PHE 101 N -4.47 0.00 -0.05 4.33 3.72 -1.26 -5.04 117.46 114.68 2kjz n PHE 101 Ca 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 2kjz n PHE 101 Cb 0.93 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 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 1.36 0.62 3.56 1.37 0.00 -0.69 -4.21 105.19 107.19 2kjz n GLY 102 Ca 0.08 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.23 2.44 0.22 1.61 5.04 -0.80 -1.06 117.35 123.57 2kjz s TYR 103 Ca 0.00 0.11 0.10 0.00 -2.44 0.00 0.00 57.07 54.85 2kjz s TYR 103 Cb 0.00 -4.56 -0.05 0.00 0.35 0.00 0.00 41.96 37.71 2kjz s TYR 103 CO 0.00 -1.85 -0.19 -0.08 -1.34 0.00 0.00 175.55 172.09 2kjz s THR 104 N 5.32 2.15 0.02 4.34 -1.32 -0.51 -0.53 115.64 125.11 2kjz s THR 104 Ca 0.37 -2.18 -0.18 0.00 -1.21 0.00 0.00 61.69 58.50 2kjz s THR 104 Cb -0.08 -2.11 0.03 0.00 -1.51 0.00 0.00 72.50 68.84 2kjz s THR 104 CO 0.19 -0.36 0.40 0.12 -2.21 0.00 0.00 174.62 172.76 2kjz s PHE 105 N -2.33 -0.26 -0.11 9.09 5.36 -0.36 -1.44 117.98 127.94 2kjz s PHE 105 Ca 0.23 0.28 -0.05 0.00 -0.96 0.00 0.00 56.93 56.43 2kjz s PHE 105 Cb -0.05 0.19 0.05 0.00 -0.34 0.00 0.00 43.02 42.88 2kjz s PHE 105 CO 0.10 -0.53 0.26 0.99 -1.46 0.00 0.00 175.22 174.58 2kjz s THR 106 N -2.11 -0.13 0.43 0.12 2.01 -1.26 -0.78 115.64 113.93 2kjz s THR 106 Ca -0.08 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.18 2kjz s THR 106 Cb -0.02 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 2kjz s THR 106 CO 0.00 0.07 0.39 0.00 -0.69 0.00 0.00 174.62 174.39 2kjz s ALA 107 N 1.54 4.10 -0.17 7.40 0.00 -0.10 -4.11 121.76 130.43 2kjz s ALA 107 Ca -0.07 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.04 2kjz s ALA 107 Cb -0.11 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.06 2kjz s ALA 107 CO -0.09 -0.26 -0.11 0.00 0.00 0.00 0.00 175.76 175.30 2kjz s ALA 108 N -2.51 1.82 0.96 0.00 0.00 -1.26 -2.25 121.76 118.52 2kjz s ALA 108 Ca 0.47 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 2kjz s ALA 108 Cb -0.03 -1.13 0.16 0.00 0.00 0.00 0.00 23.12 22.12 2kjz s ALA 108 CO 0.28 -0.60 1.10 0.16 0.00 0.00 0.00 175.76 176.70 2kjz s ASP 109 N 1.49 3.00 0.40 0.00 -4.77 -1.26 -1.37 116.67 114.16 2kjz s ASP 109 Ca 0.02 1.18 0.17 0.00 -3.30 0.00 0.00 52.55 50.61 2kjz s ASP 109 Cb -0.14 -1.83 1.05 0.00 -1.09 0.00 0.00 42.92 40.91 2kjz s ASP 109 CO -0.09 -2.89 1.83 -0.65 0.70 0.00 0.00 175.17 174.06 2kjz h PRO 110 N -1.73 0.43 -0.04 2.11 0.11 -1.98 -1.30 132.00 129.59 2kjz h PRO 110 Ca -0.53 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2kjz h PRO 110 Cb 1.32 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2kjz h PRO 110 CO 0.58 0.28 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 2kjz n ASP 111 N -4.55 1.17 -2.98 -2.05 9.92 -1.26 -4.96 116.55 111.83 2kjz n ASP 111 Ca 0.21 -1.45 -0.13 0.00 -0.53 0.00 0.00 54.79 52.89 2kjz n ASP 111 Cb 0.73 -0.02 0.06 0.00 -0.64 0.00 0.00 41.12 41.25 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 -0.07 -5.06 -0.61 -2.24 7.64 -0.49 -4.54 113.62 108.25 2kjz n SER 112 Ca 0.19 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2kjz n SER 112 Cb 0.29 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 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 -3.10 0.00 -3.39 1.43 8.25 -1.26 -2.77 115.22 114.37 2kjz n HIS 113 Ca -0.10 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.15 2kjz n HIS 113 Cb 0.61 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.63 2kjz n HIS 113 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2kjz s ARG 114 N 2.91 0.60 -0.50 -0.41 6.06 -1.15 -4.50 118.95 121.95 2kjz s ARG 114 Ca 0.00 -0.98 -0.18 0.00 -2.50 0.00 0.00 55.73 52.07 2kjz s ARG 114 Cb 0.00 -0.90 0.07 0.00 0.06 0.00 0.00 34.95 34.18 2kjz s ARG 114 CO 0.00 -1.19 0.56 -0.51 -2.50 0.00 0.00 175.30 171.66 2kjz s LEU 115 N 1.36 5.22 0.01 -0.88 1.43 -0.96 -1.54 118.68 123.31 2kjz s LEU 115 Ca 0.17 -1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 52.16 2kjz s LEU 115 Cb -0.18 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 2kjz s LEU 115 CO -0.03 -0.84 0.14 -0.13 0.23 0.00 0.00 176.35 175.72 2kjz s ARG 116 N 2.32 3.26 -0.08 1.70 0.52 -0.32 -0.92 118.95 125.44 2kjz s ARG 116 Ca 0.11 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 54.92 2kjz s ARG 116 Cb -0.21 -2.98 0.01 0.00 0.52 0.00 0.00 34.95 32.29 2kjz s ARG 116 CO 0.10 0.65 -0.13 0.08 0.02 0.00 0.00 175.30 176.02 2kjz s VAL 117 N -1.30 1.24 0.12 3.52 1.01 0.04 -0.68 120.40 124.35 2kjz s VAL 117 Ca 0.27 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2kjz s VAL 117 Cb -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2kjz s VAL 117 CO 0.18 0.38 -0.13 -0.72 0.00 0.00 0.00 175.10 174.82 2kjz s TYR 118 N 0.87 1.31 -0.22 5.22 1.13 -1.00 -1.22 117.35 123.43 2kjz s TYR 118 Ca -0.10 -0.60 -0.05 0.00 -1.41 0.00 0.00 57.07 54.91 2kjz s TYR 118 Cb -0.15 -0.68 -0.02 0.00 -1.10 0.00 0.00 41.96 40.00 2kjz s TYR 118 CO 0.01 0.11 0.00 0.00 -2.51 0.00 0.00 175.55 173.16 2kjz s ALA 119 N -2.36 2.97 -0.48 9.51 0.00 0.31 -3.03 121.76 128.68 2kjz s ALA 119 Ca 0.09 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.65 2kjz s ALA 119 Cb -0.04 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.27 2kjz s ALA 119 CO 0.02 -0.38 1.33 0.12 0.00 0.00 0.00 175.76 176.85 2kjz s PHE 120 N 1.40 2.49 -0.78 0.00 5.36 -1.25 -1.91 117.98 123.29 2kjz s PHE 120 Ca 0.05 0.62 -0.25 0.00 -0.96 0.00 0.00 56.93 56.38 2kjz s PHE 120 Cb -0.15 -4.38 -0.02 0.00 -0.34 0.00 0.00 43.02 38.13 2kjz s PHE 120 CO 0.00 -1.77 1.80 0.00 -1.46 0.00 0.00 175.22 173.79 2kjz s ALA 121 N 5.29 2.08 0.00 11.12 0.00 -1.26 -4.93 121.76 134.06 2kjz s ALA 121 Ca 0.54 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2kjz s ALA 121 Cb -0.11 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.59 2kjz s ALA 121 CO 0.30 -4.18 0.00 0.41 0.00 0.00 0.00 175.76 172.29