#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 4.94 -0.38 3.17 2.01 -1.26 -5.04 115.64 119.08 2kjz s THR 2 Ca 0.00 1.71 -0.17 0.00 0.31 0.00 0.00 61.69 63.55 2kjz s THR 2 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.35 2kjz s THR 2 CO 0.00 0.23 0.42 -1.00 -0.69 0.00 0.00 174.62 173.58 2kjz s HIS 3 N 0.78 3.19 0.33 4.92 0.09 -1.26 -5.09 115.29 118.25 2kjz s HIS 3 Ca 0.43 -0.16 -0.04 0.00 -0.00 0.00 0.00 55.06 55.30 2kjz s HIS 3 Cb -0.19 -2.81 -0.04 0.00 -0.00 0.00 0.00 32.58 29.53 2kjz s HIS 3 CO 0.23 -0.57 0.59 -1.25 -0.00 0.00 0.00 174.74 173.73 2kjz s PRO 4 N 2.13 3.59 0.00 8.40 0.04 -1.26 -4.99 135.00 142.91 2kjz s PRO 4 Ca 0.13 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2kjz s PRO 4 Cb -0.17 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2kjz s PRO 4 CO 0.13 0.13 0.63 -0.40 0.04 0.00 0.00 177.00 177.53 2kjz n ASP 5 N -1.35 0.00 -4.06 6.66 5.75 -1.26 -5.11 116.55 117.18 2kjz n ASP 5 Ca -0.02 -1.40 -0.22 0.00 -0.01 0.00 0.00 54.79 53.14 2kjz n ASP 5 Cb 0.55 -0.08 -0.15 0.00 -1.03 0.00 0.00 41.12 40.40 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 0.00 1.20 -0.06 2.11 5.36 -1.26 -1.27 117.98 124.06 2kjz s PHE 6 Ca 0.00 -0.30 -0.06 0.00 -0.96 0.00 0.00 56.93 55.61 2kjz s PHE 6 Cb 0.00 -0.82 0.02 0.00 -0.34 0.00 0.00 43.02 41.88 2kjz s PHE 6 CO 0.00 -0.10 0.18 -0.08 -1.46 0.00 0.00 175.22 173.76 2kjz s THR 7 N 0.04 0.00 -0.07 0.12 -1.32 -1.00 -5.01 115.64 108.40 2kjz s THR 7 Ca -0.01 -0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.47 2kjz s THR 7 Cb -0.08 -0.27 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 2kjz s THR 7 CO 0.01 -0.02 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.56 2kjz s ILE 8 N 0.01 1.76 -0.01 5.08 1.01 -1.26 -1.16 121.20 126.62 2kjz s ILE 8 Ca -0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 2kjz s ILE 8 Cb -0.02 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 2kjz s ILE 8 CO 0.00 0.49 0.11 -0.76 0.00 0.00 0.00 174.94 174.79 2kjz s LEU 9 N 0.26 4.04 -0.21 2.97 2.01 -1.08 -4.94 118.68 121.73 2kjz s LEU 9 Ca -0.13 0.22 -0.12 0.00 0.01 0.00 0.00 54.13 54.11 2kjz s LEU 9 Cb -0.16 -2.34 -0.05 0.00 0.01 0.00 0.00 46.19 43.66 2kjz s LEU 9 CO 0.06 0.28 0.22 -0.31 1.01 0.00 0.00 176.35 177.60 2kjz s TYR 10 N -1.21 3.38 0.20 0.29 2.02 -1.26 -1.70 117.35 119.07 2kjz s TYR 10 Ca 0.23 0.40 0.07 0.00 -0.37 0.00 0.00 57.07 57.40 2kjz s TYR 10 Cb -0.12 -2.30 -0.05 0.00 -0.40 0.00 0.00 41.96 39.09 2kjz s TYR 10 CO 0.14 0.15 -0.12 0.14 -1.57 0.00 0.00 175.55 174.30 2kjz s VAL 11 N 0.78 1.56 -0.16 0.71 -7.23 -0.70 -4.89 120.40 110.47 2kjz s VAL 11 Ca 0.11 -2.16 -0.14 0.00 -1.81 0.00 0.00 61.98 57.99 2kjz s VAL 11 Cb -0.13 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 2kjz s VAL 11 CO 0.03 -0.57 -0.26 -0.67 -0.31 0.00 0.00 175.10 173.31 2kjz n ASP 12 N -0.37 1.79 -4.36 4.85 2.03 -1.26 -1.46 116.55 117.77 2kjz n ASP 12 Ca -0.08 0.45 -0.45 0.00 0.52 0.00 0.00 54.79 55.23 2kjz n ASP 12 Cb 0.61 -0.78 -0.04 0.00 -0.72 0.00 0.00 41.12 40.18 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 -5.74 6.23 0.13 1.67 2.47 -1.26 -4.79 114.94 113.66 2kjz s ASN 13 Ca -0.22 -1.58 -0.25 0.00 0.42 0.00 0.00 52.86 51.23 2kjz s ASN 13 Cb 0.03 -2.29 -0.03 0.00 -1.45 0.00 0.00 41.25 37.52 2kjz s ASN 13 CO 0.32 -1.05 1.63 -0.65 -3.72 0.00 0.00 177.10 173.64 2kjz h PRO 14 N 9.06 -0.34 0.23 0.43 0.11 -1.88 -2.46 132.00 137.14 2kjz h PRO 14 Ca -0.26 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2kjz h PRO 14 Cb 1.08 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2kjz h PRO 14 CO 1.07 -0.23 -0.20 -1.35 -0.21 0.00 0.00 178.00 177.08 2kjz h PRO 15 N -0.36 -0.44 -0.50 1.05 0.11 -1.95 -1.87 132.00 128.04 2kjz h PRO 15 Ca 0.09 0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 2kjz h PRO 15 Cb 0.48 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 2kjz h PRO 15 CO -0.29 -0.29 -0.04 0.00 -0.21 0.00 0.00 178.00 177.17 2kjz h ALA 16 N 0.26 0.68 0.00 -0.75 0.00 -1.99 -2.06 119.26 115.41 2kjz h ALA 16 Ca -0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 2kjz h ALA 16 Cb 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2kjz h ALA 16 CO -0.03 0.53 -0.67 0.77 0.00 0.00 0.00 179.25 179.84 2kjz h SER 17 N 0.78 0.00 -0.11 0.00 0.02 -1.46 -2.05 113.55 110.72 2kjz h SER 17 Ca 0.14 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 2kjz h SER 17 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2kjz h SER 17 CO 0.03 0.67 -0.67 0.74 -1.14 0.00 0.00 176.83 176.47 2kjz h THR 18 N 0.00 1.30 -0.19 -2.27 2.02 -1.11 -1.97 112.91 110.68 2kjz h THR 18 Ca -0.01 -1.89 -0.08 0.00 0.77 0.00 0.00 66.41 65.20 2kjz h THR 18 Cb 1.51 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.76 2kjz h THR 18 CO 0.09 0.60 -0.21 1.56 0.37 0.00 0.00 175.52 177.92 2kjz h GLN 19 N 0.53 0.34 -0.43 6.66 1.08 -1.39 -0.63 115.11 121.27 2kjz h GLN 19 Ca -0.02 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 56.98 2kjz h GLN 19 Cb 1.27 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.65 2kjz h GLN 19 CO 0.14 0.55 -0.07 0.35 -0.95 0.00 0.00 178.83 178.84 2kjz h PHE 20 N 0.31 0.90 0.00 2.96 3.57 -1.15 -2.61 116.94 120.92 2kjz h PHE 20 Ca 0.05 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 61.25 2kjz h PHE 20 Cb 0.56 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2kjz h PHE 20 CO 0.01 0.90 -0.56 1.88 -2.23 0.00 0.00 178.31 178.32 2kjz h TYR 21 N 0.64 0.00 -0.14 0.41 -1.99 -1.15 -1.95 116.97 112.79 2kjz h TYR 21 Ca 0.11 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.87 2kjz h TYR 21 Cb 0.59 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.30 2kjz h TYR 21 CO 0.05 0.56 -0.01 0.87 -0.00 0.00 0.00 178.16 179.62 2kjz h LYS 22 N 0.00 0.03 0.00 4.88 1.57 -0.76 -1.74 116.57 120.55 2kjz h LYS 22 Ca -0.01 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 2kjz h LYS 22 Cb 1.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 2kjz h LYS 22 CO 0.07 0.02 -0.85 0.00 -0.57 0.00 0.00 179.45 178.12 2kjz h ALA 23 N 1.12 0.60 0.24 3.86 0.00 -1.51 -0.47 119.26 123.10 2kjz h ALA 23 Ca 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2kjz h ALA 23 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kjz h ALA 23 CO -0.12 1.02 -0.11 1.25 0.00 0.00 0.00 179.25 181.28 2kjz h LEU 24 N 0.02 -0.27 0.21 0.00 5.85 -1.13 -3.26 115.31 116.73 2kjz h LEU 24 Ca -0.02 -0.08 -0.33 0.00 0.84 0.00 0.00 57.88 58.29 2kjz h LEU 24 Cb 1.49 0.07 0.02 0.00 0.37 0.00 0.00 40.66 42.61 2kjz h LEU 24 CO 0.11 -0.09 -1.53 -0.07 -0.34 0.00 0.00 178.44 176.52 2kjz h LEU 25 N -0.44 0.71 0.00 2.25 3.38 -1.46 -3.49 115.31 116.26 2kjz h LEU 25 Ca -0.03 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.01 2kjz h LEU 25 Cb 0.33 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kjz h LEU 25 CO 0.05 1.72 0.00 0.61 0.09 0.00 0.00 178.44 180.91 2kjz n GLY 26 N 1.77 1.46 3.60 0.83 0.00 -0.32 -5.11 105.19 107.43 2kjz n GLY 26 Ca -0.20 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 0.83 0.14 1.61 -7.23 -0.42 -4.99 120.40 108.35 2kjz s VAL 27 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 2kjz s VAL 27 Cb 0.00 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 2kjz s VAL 27 CO 0.00 0.00 -0.16 1.51 -0.31 0.00 0.00 175.10 176.14 2kjz s ASP 28 N -3.70 2.36 0.06 4.85 -4.77 -1.26 -4.37 116.67 109.83 2kjz s ASP 28 Ca 0.18 -0.84 -0.31 0.00 -3.30 0.00 0.00 52.55 48.28 2kjz s ASP 28 Cb 0.02 -0.11 -0.08 0.00 -1.09 0.00 0.00 42.92 41.66 2kjz s ASP 28 CO 0.11 -0.09 1.62 -2.16 0.70 0.00 0.00 175.17 175.35 2kjz s PRO 29 N -2.74 4.21 0.13 2.11 0.04 -1.26 -4.67 135.00 132.81 2kjz s PRO 29 Ca 0.12 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 2kjz s PRO 29 Cb -0.05 -3.59 -0.09 0.00 0.04 0.00 0.00 34.50 30.80 2kjz s PRO 29 CO 0.05 -0.71 1.40 -0.24 0.04 0.00 0.00 177.00 177.53 2kjz h VAL 30 N 4.82 1.27 -3.61 -0.36 3.04 -1.38 -3.41 116.25 116.62 2kjz h VAL 30 Ca -0.42 -1.77 -0.68 0.00 -1.01 0.00 0.00 66.70 62.83 2kjz h VAL 30 Cb 1.20 1.68 -0.33 0.00 -2.01 0.00 0.00 31.29 31.83 2kjz h VAL 30 CO 0.93 0.57 -0.74 -1.61 -1.01 0.00 0.00 177.57 175.71 2kjz s GLU 31 N -4.08 2.67 0.08 4.17 0.41 -0.98 -5.05 118.70 115.92 2kjz s GLU 31 Ca -0.11 -1.09 0.07 0.00 -0.41 0.00 0.00 54.97 53.44 2kjz s GLU 31 Cb 0.10 -3.03 -0.04 0.00 -1.78 0.00 0.00 34.13 29.39 2kjz s GLU 31 CO 0.89 -0.48 -0.15 -1.54 -0.49 0.00 0.00 175.26 173.50 2kjz s SER 32 N 1.28 4.08 0.01 -0.19 1.04 -1.26 -0.99 113.70 117.67 2kjz s SER 32 Ca -0.02 -0.43 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 2kjz s SER 32 Cb -0.18 -0.70 0.02 0.00 0.10 0.00 0.00 66.02 65.26 2kjz s SER 32 CO -0.04 0.21 0.26 -0.55 0.98 0.00 0.00 173.24 174.10 2kjz s SER 33 N -1.87 -0.10 0.64 7.02 0.15 -0.40 -4.99 113.70 114.16 2kjz s SER 33 Ca 0.18 -0.10 0.42 0.00 0.70 0.00 0.00 55.95 57.15 2kjz s SER 33 Cb -0.11 0.30 2.22 0.00 -1.71 0.00 0.00 66.02 66.72 2kjz s SER 33 CO 0.09 -0.48 2.31 1.55 1.20 0.00 0.00 173.24 177.91 2kjz h PRO 34 N 3.75 0.00 0.00 5.44 0.13 -2.01 -3.12 132.00 136.19 2kjz h PRO 34 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 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 0.43 0.00 -0.08 -2.37 -0.23 0.00 0.00 178.00 175.75 2kjz n THR 35 N -3.17 0.75 -3.52 1.56 5.66 -1.26 -4.73 114.28 109.57 2kjz n THR 35 Ca -0.02 -0.83 -0.12 0.00 -3.05 0.00 0.00 64.05 60.02 2kjz n THR 35 Cb 0.11 0.48 -0.04 0.00 -1.55 0.00 0.00 70.33 69.33 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 -0.95 -0.43 -0.07 1.09 5.36 -1.18 -3.39 117.98 118.42 2kjz s PHE 36 Ca 0.07 0.29 -0.08 0.00 -0.96 0.00 0.00 56.93 56.25 2kjz s PHE 36 Cb 0.06 0.41 0.02 0.00 -0.34 0.00 0.00 43.02 43.17 2kjz s PHE 36 CO 0.01 -0.74 0.21 0.45 -1.46 0.00 0.00 175.22 173.68 2kjz s SER 37 N -2.48 -0.19 -0.12 6.13 0.15 -0.25 -1.27 113.70 115.67 2kjz s SER 37 Ca -0.01 0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.94 2kjz s SER 37 Cb -0.00 0.40 0.05 0.00 -1.71 0.00 0.00 66.02 64.75 2kjz s SER 37 CO -0.09 -0.14 0.05 -0.22 1.20 0.00 0.00 173.24 174.04 2kjz s LEU 38 N -0.18 0.56 -0.20 3.45 1.98 -0.16 -0.58 118.68 123.55 2kjz s LEU 38 Ca -0.03 -0.38 0.00 0.00 -2.89 0.00 0.00 54.13 50.83 2kjz s LEU 38 Cb -0.03 -0.35 0.05 0.00 0.66 0.00 0.00 46.19 46.52 2kjz s LEU 38 CO 0.01 -0.28 -0.06 0.72 -1.89 0.00 0.00 176.35 174.85 2kjz s PHE 39 N 2.04 2.05 -0.16 5.38 -0.12 -0.64 -0.86 117.98 125.66 2kjz s PHE 39 Ca 0.03 -1.41 -0.17 0.00 -0.05 0.00 0.00 56.93 55.33 2kjz s PHE 39 Cb -0.14 -1.46 -0.04 0.00 -0.63 0.00 0.00 43.02 40.75 2kjz s PHE 39 CO -0.07 -0.70 0.42 0.08 -0.05 0.00 0.00 175.22 174.91 2kjz s VAL 40 N 1.51 5.21 0.07 -2.49 1.01 -1.26 -2.28 120.40 122.17 2kjz s VAL 40 Ca -0.02 0.80 -0.15 0.00 0.00 0.00 0.00 61.98 62.60 2kjz s VAL 40 Cb -0.17 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 2kjz s VAL 40 CO -0.07 0.30 0.49 -0.76 0.00 0.00 0.00 175.10 175.06 2kjz s LEU 41 N 0.90 4.44 0.00 3.92 1.43 -0.60 -4.96 118.68 123.81 2kjz s LEU 41 Ca 0.22 1.07 0.10 0.00 -1.03 0.00 0.00 54.13 54.49 2kjz s LEU 41 Cb -0.15 -2.90 0.44 0.00 0.03 0.00 0.00 46.19 43.62 2kjz s LEU 41 CO 0.08 0.24 1.32 0.00 0.23 0.00 0.00 176.35 178.21 2kjz n ALA 42 N 1.43 1.48 0.89 4.21 0.00 -1.26 -2.25 120.51 125.01 2kjz n ALA 42 Ca -0.10 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.38 2kjz n ALA 42 Cb 0.52 -1.16 0.43 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.48 0.00 0.00 0.00 4.13 -1.26 -4.84 115.26 111.80 2kjz n ASN 43 Ca 0.03 -0.36 0.00 0.00 1.68 0.00 0.00 54.58 55.93 2kjz n ASN 43 Cb 0.12 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 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 -0.05 0.77 3.46 7.41 0.00 -0.95 -5.07 105.19 110.75 2kjz n GLY 44 Ca 0.10 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.73 1.72 -0.03 1.61 0.23 -1.21 -5.06 119.30 115.83 2kjz s MET 45 Ca 0.00 -1.99 0.04 0.00 -1.03 0.00 0.00 55.69 52.71 2kjz s MET 45 Cb 0.00 -0.75 -0.00 0.00 -1.53 0.00 0.00 34.83 32.55 2kjz s MET 45 CO 0.00 -0.29 -0.14 0.21 -2.03 0.00 0.00 175.02 172.77 2kjz s LYS 46 N -3.85 1.44 -0.08 3.16 2.20 -0.39 -1.56 119.74 120.66 2kjz s LYS 46 Ca 0.32 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2kjz s LYS 46 Cb 0.07 -1.29 0.02 0.00 -1.51 0.00 0.00 37.83 35.12 2kjz s LYS 46 CO 0.15 0.21 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.11 2kjz s LEU 47 N 0.05 1.25 0.36 5.43 0.20 -0.96 -2.37 118.68 122.64 2kjz s LEU 47 Ca -0.02 -0.23 0.07 0.00 0.69 0.00 0.00 54.13 54.63 2kjz s LEU 47 Cb -0.10 -0.69 -0.00 0.00 -0.43 0.00 0.00 46.19 44.96 2kjz s LEU 47 CO 0.01 -0.08 0.49 -0.83 -0.29 0.00 0.00 176.35 175.66 2kjz s GLY 48 N 1.30 1.73 -0.24 7.98 0.00 -0.31 -1.62 107.32 116.16 2kjz s GLY 48 Ca -0.04 -1.54 -0.03 0.00 0.00 0.00 0.00 44.72 43.11 2kjz s GLY 48 CO -0.03 -1.43 0.19 -2.27 0.00 0.00 0.00 173.10 169.57 2kjz s LEU 49 N -4.22 0.09 -0.16 0.66 2.96 0.25 -2.64 118.68 115.62 2kjz s LEU 49 Ca 0.48 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 2kjz s LEU 49 Cb -0.09 0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.69 2kjz s LEU 49 CO 0.31 -0.37 0.04 0.86 -1.32 0.00 0.00 176.35 175.87 2kjz s TRP 50 N 2.25 3.21 -0.00 5.38 -0.11 -0.69 -1.09 118.94 127.88 2kjz s TRP 50 Ca 0.07 0.03 -0.30 0.00 1.22 0.00 0.00 56.10 57.12 2kjz s TRP 50 Cb -0.15 -2.01 -0.05 0.00 -1.50 0.00 0.00 33.47 29.76 2kjz s TRP 50 CO -0.22 0.19 1.27 -1.12 -4.62 0.00 0.00 176.95 172.45 2kjz s SER 51 N 0.13 6.98 0.17 5.86 0.01 -1.22 -1.72 113.70 123.91 2kjz s SER 51 Ca 0.03 1.98 0.19 0.00 1.31 0.00 0.00 55.95 59.47 2kjz s SER 51 Cb -0.13 -2.56 0.84 0.00 0.21 0.00 0.00 66.02 64.38 2kjz s SER 51 CO 0.01 -0.61 1.60 -2.11 0.41 0.00 0.00 173.24 172.54 2kjz n ARG 52 N 4.92 0.12 0.00 12.44 1.85 -0.54 -1.71 116.66 133.75 2kjz n ARG 52 Ca 0.11 0.39 0.14 0.00 -1.00 0.00 0.00 57.85 57.49 2kjz n ARG 52 Cb 0.45 -1.75 0.61 0.00 -1.05 0.00 0.00 32.46 30.73 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 -1.98 0.00 -0.91 2.89 1.44 -1.26 -3.79 115.22 111.61 2kjz n HIS 53 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2kjz n HIS 53 Cb 0.19 -0.38 0.00 0.00 0.12 0.00 0.00 29.99 29.92 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 -1.38 0.18 -2.35 0.61 5.66 -0.70 -5.08 114.28 111.24 2kjz n THR 54 Ca 0.10 -0.19 -0.36 0.00 -3.05 0.00 0.00 64.05 60.54 2kjz n THR 54 Cb 0.31 0.87 -0.02 0.00 -1.55 0.00 0.00 70.33 69.94 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 -0.20 3.31 -0.21 1.08 0.11 -0.86 -4.98 120.40 118.65 2kjz s VAL 55 Ca 0.00 0.95 -0.03 0.00 -2.93 0.00 0.00 61.98 59.98 2kjz s VAL 55 Cb 0.00 -3.47 0.07 0.00 -1.53 0.00 0.00 36.38 31.45 2kjz s VAL 55 CO 0.00 -0.04 0.05 -1.61 -3.33 0.00 0.00 175.10 170.18 2kjz s GLU 56 N -2.75 0.58 0.14 1.54 2.02 -1.26 -2.32 118.70 116.66 2kjz s GLU 56 Ca 0.63 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 2kjz s GLU 56 Cb -0.26 -2.01 -0.07 0.00 0.10 0.00 0.00 34.13 31.89 2kjz s GLU 56 CO 0.31 -0.72 1.18 -1.25 0.02 0.00 0.00 175.26 174.81 2kjz s PRO 57 N 1.87 4.49 0.12 0.39 0.04 -1.26 -5.12 135.00 135.52 2kjz s PRO 57 Ca 0.01 1.81 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 2kjz s PRO 57 Cb -0.17 -3.28 -0.11 0.00 0.04 0.00 0.00 34.50 30.98 2kjz s PRO 57 CO -0.12 -0.11 1.85 1.17 0.04 0.00 0.00 177.00 179.83 2kjz n LYS 58 N 2.97 2.81 -3.31 4.56 0.00 -0.98 -4.99 118.16 119.22 2kjz n LYS 58 Ca 0.06 1.02 -0.07 0.00 0.00 0.00 0.00 58.31 59.32 2kjz n LYS 58 Cb 0.45 -2.93 -0.06 0.00 0.00 0.00 0.00 35.03 32.50 2kjz n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kjz s ALA 59 N 2.90 -1.32 -1.02 3.14 0.00 -1.26 -5.08 121.76 119.12 2kjz s ALA 59 Ca 0.83 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 53.56 2kjz s ALA 59 Cb -0.48 -1.84 0.14 0.00 0.00 0.00 0.00 23.12 20.95 2kjz s ALA 59 CO 0.38 -1.37 1.23 0.45 0.00 0.00 0.00 175.76 176.44 2kjz s SER 60 N 2.60 6.76 -0.01 0.00 0.15 -1.26 -4.77 113.70 117.17 2kjz s SER 60 Ca 0.13 -2.33 0.02 0.00 0.70 0.00 0.00 55.95 54.48 2kjz s SER 60 Cb -0.15 -2.40 -0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2kjz s SER 60 CO -0.19 -0.97 -0.08 0.54 1.20 0.00 0.00 173.24 173.74 2kjz s VAL 61 N 2.38 0.63 -0.17 4.45 0.11 -1.26 -5.14 120.40 121.40 2kjz s VAL 61 Ca 0.36 -0.32 -0.07 0.00 -2.93 0.00 0.00 61.98 59.03 2kjz s VAL 61 Cb -0.04 -0.55 0.08 0.00 -1.53 0.00 0.00 36.38 34.33 2kjz s VAL 61 CO -0.07 0.19 0.37 0.42 -3.33 0.00 0.00 175.10 172.69 2kjz s THR 62 N -0.01 -0.45 0.00 5.04 -4.23 -1.26 -4.91 115.64 109.83 2kjz s THR 62 Ca 0.00 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 2kjz s THR 62 Cb -0.05 -0.59 0.00 0.00 1.34 0.00 0.00 72.50 73.20 2kjz s THR 62 CO -0.00 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2kjz n GLY 63 N 5.12 -0.29 2.59 3.99 0.00 -0.90 -4.92 105.19 110.77 2kjz n GLY 63 Ca -0.11 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 4.81 4.02 -0.02 0.00 -1.26 -4.34 105.19 108.39 2kjz n GLY 64 Ca 0.00 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 43.93 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 1.19 1.84 0.82 -0.02 0.00 -1.26 -5.11 107.32 104.77 2kjz s GLY 65 Ca 0.52 -1.83 -0.11 0.00 0.00 0.00 0.00 44.72 43.30 2kjz s GLY 65 CO -0.06 -1.50 1.12 -0.32 0.00 0.00 0.00 173.10 172.34 2kjz s GLY 66 N -4.51 1.76 -0.01 0.20 0.00 -1.26 -4.50 107.32 99.00 2kjz s GLY 66 Ca 0.59 0.46 -0.02 0.00 0.00 0.00 0.00 44.72 45.75 2kjz s GLY 66 CO 0.37 0.84 0.13 -1.83 0.00 0.00 0.00 173.10 172.60 2kjz s GLU 67 N -4.68 3.24 -0.41 2.90 -1.05 -1.26 -3.90 118.70 113.53 2kjz s GLU 67 Ca 0.65 -0.40 -0.06 0.00 -0.15 0.00 0.00 54.97 55.01 2kjz s GLU 67 Cb -0.20 -2.98 0.09 0.00 -0.44 0.00 0.00 34.13 30.60 2kjz s GLU 67 CO 0.55 0.67 0.23 -1.17 0.95 0.00 0.00 175.26 176.49 2kjz s LEU 68 N -1.79 5.17 -0.35 1.83 2.96 -0.36 -4.96 118.68 121.18 2kjz s LEU 68 Ca 0.24 -1.74 -0.22 0.00 -0.22 0.00 0.00 54.13 52.19 2kjz s LEU 68 Cb -0.12 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.66 2kjz s LEU 68 CO 0.15 -0.54 0.70 0.00 -1.32 0.00 0.00 176.35 175.34 2kjz s ALA 69 N 1.30 3.46 -0.26 5.97 0.00 -1.26 -1.24 121.76 129.72 2kjz s ALA 69 Ca 0.04 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 2kjz s ALA 69 Cb -0.23 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2kjz s ALA 69 CO -0.01 -1.37 0.45 -0.06 0.00 0.00 0.00 175.76 174.78 2kjz s PHE 70 N 2.86 3.26 -0.19 0.00 0.40 -0.10 -4.97 117.98 119.24 2kjz s PHE 70 Ca 0.28 0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 57.01 2kjz s PHE 70 Cb -0.14 -2.65 -0.04 0.00 0.51 0.00 0.00 43.02 40.70 2kjz s PHE 70 CO 0.15 -0.25 0.30 1.03 0.70 0.00 0.00 175.22 177.16 2kjz s ARG 71 N 2.16 4.19 0.13 0.44 0.52 -1.26 -2.57 118.95 122.56 2kjz s ARG 71 Ca 0.19 0.05 0.05 0.00 -0.52 0.00 0.00 55.73 55.50 2kjz s ARG 71 Cb -0.16 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 2kjz s ARG 71 CO 0.09 0.11 -0.11 0.14 0.02 0.00 0.00 175.30 175.55 2kjz s VAL 72 N 0.87 1.18 0.26 3.52 -7.23 -1.22 -5.02 120.40 112.76 2kjz s VAL 72 Ca 0.15 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 2kjz s VAL 72 Cb -0.14 -1.67 0.04 0.00 0.56 0.00 0.00 36.38 35.18 2kjz s VAL 72 CO 0.05 -0.62 1.67 1.05 -0.31 0.00 0.00 175.10 176.95 2kjz h GLU 73 N 3.13 0.49 0.00 4.82 4.11 -1.96 -3.42 114.58 121.75 2kjz h GLU 73 Ca -0.38 -0.21 0.05 0.00 0.07 0.00 0.00 59.36 58.90 2kjz h GLU 73 Cb 1.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2kjz h GLU 73 CO 0.58 0.75 0.40 0.27 0.07 0.00 0.00 179.01 181.08 2kjz n ASN 74 N -4.08 -1.95 0.12 3.06 0.23 -1.26 -4.77 115.26 106.61 2kjz n ASN 74 Ca -0.01 -2.22 0.08 0.00 -0.53 0.00 0.00 54.58 51.90 2kjz n ASN 74 Cb 0.45 3.22 0.56 0.00 -2.08 0.00 0.00 39.78 41.93 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 1.89 0.20 -0.29 0.53 2.03 -1.91 -1.84 116.42 117.02 2kjz h ASP 75 Ca -0.29 -0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.95 2kjz h ASP 75 Cb 1.16 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.61 2kjz h ASP 75 CO 0.38 0.14 -0.04 0.00 -1.03 0.00 0.00 179.24 178.69 2kjz h ALA 76 N 1.87 0.40 0.00 4.15 0.00 -1.99 -2.87 119.26 120.81 2kjz h ALA 76 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2kjz h ALA 76 Cb 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kjz h ALA 76 CO -0.02 0.19 -0.13 1.96 0.00 0.00 0.00 179.25 181.25 2kjz h GLN 77 N 0.32 0.00 -0.33 0.00 1.08 -1.76 -1.42 115.11 112.99 2kjz h GLN 77 Ca 0.08 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2kjz h GLN 77 Cb 0.50 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2kjz h GLN 77 CO 0.02 0.13 0.03 0.28 -0.95 0.00 0.00 178.83 178.34 2kjz h VAL 78 N 0.00 1.25 0.00 -0.54 2.07 -1.30 -2.78 116.25 114.94 2kjz h VAL 78 Ca -0.00 -0.89 -0.15 0.00 0.82 0.00 0.00 66.70 66.49 2kjz h VAL 78 Cb 0.39 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2kjz h VAL 78 CO 0.02 0.29 -0.69 -0.78 0.02 0.00 0.00 177.57 176.43 2kjz h ASP 79 N 0.38 0.00 -0.51 0.57 3.58 -1.16 -0.76 116.42 118.52 2kjz h ASP 79 Ca 0.10 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2kjz h ASP 79 Cb 0.39 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 2kjz h ASP 79 CO 0.01 0.69 0.26 -0.33 -2.88 0.00 0.00 179.24 176.99 2kjz h GLU 80 N 0.00 0.72 -0.20 0.28 5.08 -1.32 -2.27 114.58 116.87 2kjz h GLU 80 Ca -0.01 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 2kjz h GLU 80 Cb 1.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2kjz h GLU 80 CO 0.09 0.58 -0.42 1.15 -1.00 0.00 0.00 179.01 179.41 2kjz h THR 81 N 0.67 1.31 0.46 1.13 2.02 -1.28 -2.40 112.91 114.82 2kjz h THR 81 Ca 0.18 -1.59 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 2kjz h THR 81 Cb 0.09 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 2kjz h THR 81 CO -0.03 0.49 -0.51 0.15 0.37 0.00 0.00 175.52 176.00 2kjz h PHE 82 N 0.39 -1.43 -0.39 3.16 3.04 -0.95 -2.31 116.94 118.45 2kjz h PHE 82 Ca 0.03 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.94 2kjz h PHE 82 Cb 0.91 0.56 -0.02 0.00 2.56 0.00 0.00 35.95 39.96 2kjz h PHE 82 CO 0.03 -0.67 0.00 0.00 -2.02 0.00 0.00 178.31 175.65 2kjz h ALA 83 N -0.84 1.27 -0.20 2.41 0.00 -1.42 -1.68 119.26 118.80 2kjz h ALA 83 Ca -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2kjz h ALA 83 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2kjz h ALA 83 CO -0.09 0.49 0.01 0.78 0.00 0.00 0.00 179.25 180.44 2kjz h GLY 84 N 0.90 0.38 1.05 0.00 0.00 -1.37 -1.10 103.07 102.93 2kjz h GLY 84 Ca 0.12 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 2kjz h GLY 84 CO 0.01 0.25 0.05 1.49 0.00 0.00 0.00 176.54 178.34 2kjz h TRP 85 N 0.12 1.10 -0.56 5.60 6.55 -1.32 -2.07 115.95 125.37 2kjz h TRP 85 Ca 0.06 -0.17 0.04 0.00 0.95 0.00 0.00 58.89 59.77 2kjz h TRP 85 Cb 0.37 -0.29 -0.04 0.00 -0.86 0.00 0.00 29.16 28.33 2kjz h TRP 85 CO 0.03 0.96 0.31 -0.22 -1.05 0.00 0.00 178.44 178.46 2kjz h LYS 86 N 0.92 0.58 0.00 0.49 3.64 -1.22 -1.49 116.57 119.49 2kjz h LYS 86 Ca 0.18 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2kjz h LYS 86 Cb 0.49 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2kjz h LYS 86 CO 0.02 0.38 -0.25 0.00 -2.27 0.00 0.00 179.45 177.33 2kjz h ALA 87 N 1.28 1.01 -0.61 5.00 0.00 -1.10 -2.85 119.26 121.99 2kjz h ALA 87 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kjz h ALA 87 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kjz h ALA 87 CO -0.14 0.31 0.00 0.45 0.00 0.00 0.00 179.25 179.87 2kjz n SER 88 N -3.41 4.40 -0.45 0.00 2.88 -0.73 -4.96 113.62 111.36 2kjz n SER 88 Ca 0.00 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.15 2kjz n SER 88 Cb 0.45 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 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 1.12 0.91 3.86 0.46 0.00 -0.64 -5.01 105.19 105.89 2kjz n GLY 89 Ca 0.24 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.78 4.84 -0.03 1.61 0.11 -0.78 -4.73 120.40 118.63 2kjz s VAL 90 Ca 0.00 0.66 -0.22 0.00 -2.93 0.00 0.00 61.98 59.49 2kjz s VAL 90 Cb 0.00 -3.63 -0.16 0.00 -1.53 0.00 0.00 36.38 31.06 2kjz s VAL 90 CO 0.00 -0.07 0.98 0.00 -3.33 0.00 0.00 175.10 172.68 2kjz h ALA 91 N 2.57 -0.27 -4.25 1.54 0.00 -1.26 -3.44 119.26 114.14 2kjz h ALA 91 Ca -0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2kjz h ALA 91 Cb 1.17 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kjz h ALA 91 CO 0.68 -0.38 -0.42 -0.12 0.00 0.00 0.00 179.25 179.01 2kjz n MET 92 N -4.98 -1.68 -3.86 0.00 0.00 -1.14 -4.86 117.12 100.60 2kjz n MET 92 Ca -0.08 1.62 -0.31 0.00 0.00 0.00 0.00 57.70 58.93 2kjz n MET 92 Cb 0.26 -3.69 -0.12 0.00 0.00 0.00 0.00 33.22 29.67 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 -1.43 4.82 0.00 -0.89 -0.00 -1.26 -4.86 118.68 115.06 2kjz s LEU 93 Ca 0.07 -3.47 0.00 0.00 -0.00 0.00 0.00 54.13 50.73 2kjz s LEU 93 Cb -0.02 -1.70 0.00 0.00 -0.00 0.00 0.00 46.19 44.47 2kjz s LEU 93 CO 0.44 -0.17 0.00 1.67 -0.00 0.00 0.00 176.35 178.29 2kjz n GLN 94 N 2.53 0.00 -2.42 1.48 -0.06 -1.24 -4.91 117.38 112.77 2kjz n GLN 94 Ca 0.14 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.71 2kjz n GLN 94 Cb 0.35 0.00 -0.02 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 0.00 4.27 -0.33 3.69 -0.21 -1.26 -4.40 119.66 121.42 2kjz s GLN 95 Ca 0.00 1.68 -0.28 0.00 0.02 0.00 0.00 55.36 56.78 2kjz s GLN 95 Cb 0.00 -3.70 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 2kjz s GLN 95 CO 0.00 -0.62 1.99 -1.25 -2.12 0.00 0.00 175.29 173.28 2kjz s PRO 96 N 3.07 3.11 0.06 2.91 0.04 -1.26 -4.86 135.00 138.08 2kjz s PRO 96 Ca 0.56 1.56 0.01 0.00 0.04 0.00 0.00 61.00 63.17 2kjz s PRO 96 Cb -0.23 -4.30 -0.03 0.00 0.04 0.00 0.00 34.50 29.97 2kjz s PRO 96 CO 0.17 -2.12 -0.06 0.00 0.04 0.00 0.00 177.00 175.03 2kjz s ALA 97 N 7.96 0.68 0.16 8.56 0.00 -0.68 -4.95 121.76 133.49 2kjz s ALA 97 Ca 0.87 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.44 2kjz s ALA 97 Cb -0.25 0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 2kjz s ALA 97 CO 0.32 -0.19 1.41 0.15 0.00 0.00 0.00 175.76 177.45 2kjz s LYS 98 N -2.97 4.31 0.28 0.00 -0.14 -1.26 -1.64 119.74 118.32 2kjz s LYS 98 Ca 0.02 2.15 0.05 0.00 -1.36 0.00 0.00 55.97 56.84 2kjz s LYS 98 Cb -0.00 -3.20 -0.02 0.00 -1.68 0.00 0.00 37.83 32.93 2kjz s LYS 98 CO -0.04 -0.43 0.26 -0.12 -0.76 0.00 0.00 175.35 174.26 2kjz n MET 99 N 3.45 0.37 -0.22 1.68 1.56 0.08 -4.94 117.12 119.10 2kjz n MET 99 Ca 0.10 -2.71 0.03 0.00 -0.27 0.00 0.00 57.70 54.85 2kjz n MET 99 Cb 0.41 2.27 0.27 0.00 2.15 0.00 0.00 33.22 38.33 2kjz n MET 99 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 2kjz h GLU 100 N 0.00 0.92 -0.00 2.12 3.07 -2.01 -1.40 114.58 117.27 2kjz h GLU 100 Ca -0.20 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2kjz h GLU 100 Cb 0.99 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 2kjz h GLU 100 CO 0.29 0.61 -0.18 1.19 -1.40 0.00 0.00 179.01 179.51 2kjz n PHE 101 N -4.45 0.00 0.00 4.33 3.72 -1.26 -4.90 117.46 114.90 2kjz n PHE 101 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2kjz n PHE 101 Cb 0.12 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 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 1.43 0.14 3.57 1.37 0.00 -0.53 -3.53 105.19 107.64 2kjz n GLY 102 Ca 0.09 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2kjz n GLY 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kjz s TYR 103 N 0.00 2.42 0.14 1.61 5.04 -0.02 -0.74 117.35 125.79 2kjz s TYR 103 Ca 0.00 0.25 0.06 0.00 -2.44 0.00 0.00 57.07 54.94 2kjz s TYR 103 Cb 0.00 -4.54 -0.04 0.00 0.35 0.00 0.00 41.96 37.73 2kjz s TYR 103 CO 0.00 -1.84 0.01 -0.08 -1.34 0.00 0.00 175.55 172.30 2kjz s THR 104 N 5.48 3.92 -0.02 4.34 -1.32 -0.65 -0.81 115.64 126.58 2kjz s THR 104 Ca 0.41 -1.21 -0.04 0.00 -1.21 0.00 0.00 61.69 59.64 2kjz s THR 104 Cb -0.08 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 67.98 2kjz s THR 104 CO 0.21 -0.02 0.10 0.12 -2.21 0.00 0.00 174.62 172.82 2kjz s PHE 105 N -1.56 -0.00 -0.03 9.09 5.36 0.36 -1.69 117.98 129.52 2kjz s PHE 105 Ca 0.27 0.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.26 2kjz s PHE 105 Cb -0.10 -0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.56 2kjz s PHE 105 CO 0.19 -0.16 -0.04 0.99 -1.46 0.00 0.00 175.22 174.74 2kjz s THR 106 N -0.71 0.40 0.46 0.12 2.01 -1.26 -1.17 115.64 115.49 2kjz s THR 106 Ca -0.08 -0.10 0.07 0.00 0.31 0.00 0.00 61.69 61.90 2kjz s THR 106 Cb -0.05 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.04 2kjz s THR 106 CO 0.00 0.17 0.43 0.00 -0.69 0.00 0.00 174.62 174.54 2kjz s ALA 107 N 0.64 4.22 -0.11 7.40 0.00 -0.19 -3.67 121.76 130.05 2kjz s ALA 107 Ca -0.08 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.08 2kjz s ALA 107 Cb -0.11 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.03 2kjz s ALA 107 CO -0.00 -0.34 0.03 0.00 0.00 0.00 0.00 175.76 175.45 2kjz s ALA 108 N -2.55 0.66 1.02 0.00 0.00 -1.26 -1.48 121.76 118.15 2kjz s ALA 108 Ca 0.47 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.05 2kjz s ALA 108 Cb -0.03 -0.88 0.20 0.00 0.00 0.00 0.00 23.12 22.41 2kjz s ALA 108 CO 0.28 -0.75 1.11 0.16 0.00 0.00 0.00 175.76 176.56 2kjz s ASP 109 N 2.00 2.49 0.31 0.00 -4.77 -1.24 -0.81 116.67 114.65 2kjz s ASP 109 Ca 0.03 1.00 0.06 0.00 -3.30 0.00 0.00 52.55 50.35 2kjz s ASP 109 Cb -0.14 -1.56 0.77 0.00 -1.09 0.00 0.00 42.92 40.89 2kjz s ASP 109 CO -0.06 -3.19 1.76 1.55 0.70 0.00 0.00 175.17 175.93 2kjz h PRO 110 N -1.94 0.70 -0.01 2.11 0.13 -1.96 -0.56 132.00 130.47 2kjz h PRO 110 Ca -0.52 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2kjz h PRO 110 Cb 1.33 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kjz h PRO 110 CO 0.55 0.46 -0.02 -0.25 -0.23 0.00 0.00 178.00 178.51 2kjz n ASP 111 N -4.80 0.57 -2.62 1.44 9.92 -1.26 -4.96 116.55 114.85 2kjz n ASP 111 Ca 0.24 -1.06 -0.03 0.00 -0.53 0.00 0.00 54.79 53.41 2kjz n ASP 111 Cb 0.61 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 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 -0.62 -6.54 -4.44 -2.24 7.64 -0.22 -3.79 113.62 103.42 2kjz n SER 112 Ca 0.20 0.19 -0.22 0.00 1.01 0.00 0.00 58.87 60.05 2kjz n SER 112 Cb 0.22 -4.36 -0.10 0.00 -1.01 0.00 0.00 64.21 58.96 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 -2.60 2.06 -0.42 1.43 3.76 -1.26 -2.12 115.29 116.14 2kjz s HIS 113 Ca 0.10 -0.55 -0.21 0.00 -0.15 0.00 0.00 55.06 54.25 2kjz s HIS 113 Cb -0.03 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.61 2kjz s HIS 113 CO 0.59 0.46 0.69 1.03 -0.85 0.00 0.00 174.74 176.66 2kjz s ARG 114 N -3.64 3.43 -0.50 1.40 3.00 -1.25 -3.59 118.95 117.79 2kjz s ARG 114 Ca 0.29 -0.16 -0.17 0.00 0.00 0.00 0.00 55.73 55.68 2kjz s ARG 114 Cb 0.00 -3.91 0.08 0.00 0.00 0.00 0.00 34.95 31.12 2kjz s ARG 114 CO 0.12 -0.97 0.52 -0.51 0.00 0.00 0.00 175.30 174.45 2kjz s LEU 115 N 2.95 5.44 0.18 2.53 2.01 -0.55 -1.22 118.68 130.03 2kjz s LEU 115 Ca 0.26 -1.25 -0.14 0.00 0.01 0.00 0.00 54.13 53.01 2kjz s LEU 115 Cb -0.14 -2.29 -0.07 0.00 0.01 0.00 0.00 46.19 43.71 2kjz s LEU 115 CO 0.19 -0.80 0.58 -0.60 1.01 0.00 0.00 176.35 176.73 2kjz s ARG 116 N 2.08 3.98 -0.04 1.70 6.06 -0.37 -1.02 118.95 131.34 2kjz s ARG 116 Ca 0.08 0.51 -0.01 0.00 -2.50 0.00 0.00 55.73 53.81 2kjz s ARG 116 Cb -0.23 -2.84 0.03 0.00 0.06 0.00 0.00 34.95 31.97 2kjz s ARG 116 CO 0.08 0.42 0.04 0.08 -2.50 0.00 0.00 175.30 173.42 2kjz s VAL 117 N -1.57 -0.02 0.16 7.11 1.01 -0.32 -0.93 120.40 125.85 2kjz s VAL 117 Ca 0.41 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.80 2kjz s VAL 117 Cb -0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2kjz s VAL 117 CO 0.20 0.17 -0.15 -0.72 0.00 0.00 0.00 175.10 174.60 2kjz s TYR 118 N 1.89 1.60 -0.22 5.22 1.13 -1.06 -0.49 117.35 125.43 2kjz s TYR 118 Ca 0.02 -0.55 0.01 0.00 -1.41 0.00 0.00 57.07 55.13 2kjz s TYR 118 Cb -0.12 -0.79 0.05 0.00 -1.10 0.00 0.00 41.96 39.99 2kjz s TYR 118 CO -0.03 0.26 -0.08 0.00 -2.51 0.00 0.00 175.55 173.18 2kjz s ALA 119 N -2.46 2.03 -0.29 9.51 0.00 0.01 -3.39 121.76 127.18 2kjz s ALA 119 Ca 0.15 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 2kjz s ALA 119 Cb -0.03 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.73 2kjz s ALA 119 CO 0.05 -0.98 1.19 0.12 0.00 0.00 0.00 175.76 176.13 2kjz s PHE 120 N 1.37 2.93 -0.82 0.00 5.36 -1.25 -0.84 117.98 124.72 2kjz s PHE 120 Ca -0.04 1.05 -0.21 0.00 -0.96 0.00 0.00 56.93 56.77 2kjz s PHE 120 Cb -0.17 -3.75 0.09 0.00 -0.34 0.00 0.00 43.02 38.85 2kjz s PHE 120 CO -0.07 -1.26 1.10 0.00 -1.46 0.00 0.00 175.22 173.54 2kjz s ALA 121 N 3.91 3.17 0.00 11.12 0.00 -1.23 -4.96 121.76 133.76 2kjz s ALA 121 Ca 0.51 -2.29 0.00 0.00 0.00 0.00 0.00 51.96 50.18 2kjz s ALA 121 Cb -0.15 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2kjz s ALA 121 CO 0.18 -2.98 0.00 0.41 0.00 0.00 0.00 175.76 173.37