#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k87 s TYR 2 N 0.00 0.65 0.00 1.12 5.04 -1.26 -5.08 117.35 117.82 2k87 s TYR 2 Ca 0.00 -1.06 0.00 0.00 -2.44 0.00 0.00 57.07 53.57 2k87 s TYR 2 Cb 0.00 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.59 2k87 s TYR 2 CO 0.00 -1.29 0.71 2.41 -1.34 0.00 0.00 175.55 176.04 2k87 n THR 3 N -0.54 0.00 -2.02 4.34 -1.04 -1.26 -5.06 114.28 108.70 2k87 n THR 3 Ca -0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 2k87 n THR 3 Cb 0.61 0.76 -0.03 0.00 -1.82 0.00 0.00 70.33 69.86 2k87 n THR 3 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2k87 s GLU 4 N 0.00 3.61 0.40 -2.82 2.12 -1.26 -4.97 118.70 115.78 2k87 s GLU 4 Ca 0.00 1.64 -0.26 0.00 0.36 0.00 0.00 54.97 56.72 2k87 s GLU 4 Cb 0.00 -4.12 -0.08 0.00 0.26 0.00 0.00 34.13 30.19 2k87 s GLU 4 CO 0.00 -1.52 1.22 -0.65 -0.54 0.00 0.00 175.26 173.77 2k87 s GLN 5 N 5.11 4.02 0.63 4.30 -0.21 -1.26 -5.00 119.66 127.26 2k87 s GLN 5 Ca 0.77 1.96 -0.16 0.00 0.02 0.00 0.00 55.36 57.95 2k87 s GLN 5 Cb -0.25 -2.72 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 2k87 s GLN 5 CO 0.32 -0.38 1.11 -1.25 -2.12 0.00 0.00 175.29 172.97 2k87 s PRO 6 N -2.26 2.94 -1.12 2.91 0.04 -1.26 -4.85 135.00 131.41 2k87 s PRO 6 Ca 0.57 1.41 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 2k87 s PRO 6 Cb -0.34 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 2k87 s PRO 6 CO 0.43 -1.15 1.99 0.42 0.04 0.00 0.00 177.00 178.73 2k87 s ILE 7 N -2.25 3.42 -0.26 0.56 1.01 -1.26 -3.43 121.20 118.98 2k87 s ILE 7 Ca 0.68 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2k87 s ILE 7 Cb -0.21 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 37.93 2k87 s ILE 7 CO 0.39 -0.78 0.00 -0.67 0.00 0.00 0.00 174.94 173.88 2k87 n ASP 8 N 15.48 -1.49 -4.70 3.58 -0.08 -1.26 -4.70 116.55 123.38 2k87 n ASP 8 Ca 0.44 0.06 -0.41 0.00 -1.51 0.00 0.00 54.79 53.36 2k87 n ASP 8 Cb 0.47 -1.44 -0.04 0.00 2.34 0.00 0.00 41.12 42.45 2k87 n ASP 8 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2k87 s LEU 9 N -1.23 4.28 -0.10 -2.67 2.96 -1.22 -4.62 118.68 116.07 2k87 s LEU 9 Ca 0.00 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 2k87 s LEU 9 Cb 0.00 -3.35 0.02 0.00 0.50 0.00 0.00 46.19 43.36 2k87 s LEU 9 CO 0.00 -0.29 -0.11 0.68 -1.32 0.00 0.00 176.35 175.31 2k87 s VAL 10 N 1.45 1.17 0.43 1.68 -7.23 -0.55 -4.98 120.40 112.37 2k87 s VAL 10 Ca 0.44 -0.42 -0.25 0.00 -1.81 0.00 0.00 61.98 59.94 2k87 s VAL 10 Cb -0.18 -1.12 -0.08 0.00 0.56 0.00 0.00 36.38 35.55 2k87 s VAL 10 CO 0.19 0.38 1.29 -2.16 -0.31 0.00 0.00 175.10 174.49 2k87 s PRO 11 N 1.27 3.82 0.05 4.82 0.04 -1.26 -0.90 135.00 142.84 2k87 s PRO 11 Ca -0.03 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.12 2k87 s PRO 11 Cb -0.14 -2.63 -0.00 0.00 0.04 0.00 0.00 34.50 31.77 2k87 s PRO 11 CO -0.04 -0.60 0.04 -2.37 0.04 0.00 0.00 177.00 174.07 2k87 n THR 12 N -0.13 0.00 -4.00 1.26 5.66 -1.13 -4.84 114.28 111.09 2k87 n THR 12 Ca 0.05 -0.36 -0.10 0.00 -3.05 0.00 0.00 64.05 60.59 2k87 n THR 12 Cb 0.44 0.17 -0.08 0.00 -1.55 0.00 0.00 70.33 69.32 2k87 n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k87 s GLN 13 N -2.21 1.14 1.01 1.09 0.00 -1.26 -3.99 119.66 115.43 2k87 s GLN 13 Ca 0.05 -1.24 -0.14 0.00 -0.00 0.00 0.00 55.36 54.03 2k87 s GLN 13 Cb 0.00 0.35 0.19 0.00 0.00 0.00 0.00 33.01 33.56 2k87 s GLN 13 CO 0.04 -0.40 1.12 -1.25 0.00 0.00 0.00 175.29 174.79 2k87 s PRO 14 N -3.99 0.34 0.30 9.60 0.04 -1.26 -4.96 135.00 135.06 2k87 s PRO 14 Ca 0.19 0.28 0.07 0.00 0.04 0.00 0.00 61.00 61.58 2k87 s PRO 14 Cb 0.04 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 2k87 s PRO 14 CO 0.01 -2.74 0.30 -0.48 0.04 0.00 0.00 177.00 174.14 2k87 s LEU 15 N -6.39 3.82 0.63 -3.56 2.34 -1.26 -5.09 118.68 109.17 2k87 s LEU 15 Ca 0.66 -0.30 -0.15 0.00 0.06 0.00 0.00 54.13 54.41 2k87 s LEU 15 Cb -0.15 -2.43 -0.02 0.00 -0.56 0.00 0.00 46.19 43.03 2k87 s LEU 15 CO 0.56 -0.23 1.08 -2.16 -1.06 0.00 0.00 176.35 174.53 2k87 s PRO 16 N -3.98 3.07 0.00 1.48 0.04 -1.26 -3.34 135.00 131.02 2k87 s PRO 16 Ca 0.38 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2k87 s PRO 16 Cb -0.07 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2k87 s PRO 16 CO 0.27 -1.02 0.00 0.09 0.04 0.00 0.00 177.00 176.38 2k87 n ASN 17 N -2.26 0.00 -4.55 6.66 3.02 -1.26 -4.86 115.26 112.02 2k87 n ASN 17 Ca 0.09 0.00 -0.57 0.00 -0.03 0.00 0.00 54.58 54.08 2k87 n ASN 17 Cb 0.52 -1.06 -0.07 0.00 -0.61 0.00 0.00 39.78 38.56 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k87 n ALA 18 N 0.71 -2.43 -2.83 5.41 0.00 -1.21 -3.92 120.51 116.24 2k87 n ALA 18 Ca 0.00 0.56 -0.13 0.00 0.00 0.00 0.00 53.44 53.86 2k87 n ALA 18 Cb 0.00 -1.90 -0.13 0.00 0.00 0.00 0.00 19.45 17.42 2k87 n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k87 s SER 19 N 0.39 0.50 0.81 0.00 0.15 0.99 -4.90 113.70 111.64 2k87 s SER 19 Ca 0.89 -0.24 -0.13 0.00 0.70 0.00 0.00 55.95 57.17 2k87 s SER 19 Cb -1.15 -0.01 0.08 0.00 -1.71 0.00 0.00 66.02 63.23 2k87 s SER 19 CO 0.54 -0.06 1.13 0.33 1.20 0.00 0.00 173.24 176.38 2k87 n PHE 20 N 2.44 1.02 -3.56 3.44 7.35 -1.26 -1.43 117.46 125.46 2k87 n PHE 20 Ca -0.17 0.40 -0.17 0.00 -0.76 0.00 0.00 57.45 56.75 2k87 n PHE 20 Cb 0.57 -2.08 -0.06 0.00 0.35 0.00 0.00 39.48 38.26 2k87 n PHE 20 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2k87 s ASP 21 N -2.10 -0.60 0.00 -2.13 -1.08 -1.26 -4.79 116.67 104.72 2k87 s ASP 21 Ca 0.72 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 53.42 2k87 s ASP 21 Cb -0.29 0.56 0.00 0.00 -1.46 0.00 0.00 42.92 41.73 2k87 s ASP 21 CO 0.52 -0.56 1.06 -3.20 0.52 0.00 0.00 175.17 173.51 2k87 n ASN 22 N 1.08 3.00 -4.77 -0.34 5.15 -1.26 -4.83 115.26 113.30 2k87 n ASN 22 Ca -0.19 -1.75 -0.40 0.00 -0.60 0.00 0.00 54.58 51.64 2k87 n ASN 22 Cb 0.57 -0.57 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2k87 n ASN 22 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2k87 s PHE 23 N 0.31 2.72 0.33 1.20 -0.12 -1.26 -2.05 117.98 119.11 2k87 s PHE 23 Ca 0.00 1.37 0.02 0.00 -0.05 0.00 0.00 56.93 58.26 2k87 s PHE 23 Cb 0.00 -3.74 -0.03 0.00 -0.63 0.00 0.00 43.02 38.62 2k87 s PHE 23 CO 0.00 -2.32 0.52 0.21 -0.05 0.00 0.00 175.22 173.58 2k87 s LYS 24 N -2.29 3.44 0.23 1.99 2.20 0.18 -4.83 119.74 120.67 2k87 s LYS 24 Ca 0.58 -0.44 0.11 0.00 -0.36 0.00 0.00 55.97 55.85 2k87 s LYS 24 Cb -0.40 -2.70 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 2k87 s LYS 24 CO 0.51 0.18 -0.20 -0.48 -0.36 0.00 0.00 175.35 175.00 2k87 s LEU 25 N -4.26 2.53 0.11 5.43 0.05 -1.26 -0.95 118.68 120.33 2k87 s LEU 25 Ca 0.39 -0.97 -0.02 0.00 0.05 0.00 0.00 54.13 53.58 2k87 s LEU 25 Cb -0.09 -1.01 -0.04 0.00 -2.05 0.00 0.00 46.19 43.00 2k87 s LEU 25 CO 0.35 0.02 0.06 0.42 -0.55 0.00 0.00 176.35 176.65 2k87 s THR 26 N -2.33 0.13 0.18 5.48 -4.23 0.23 -4.81 115.64 110.29 2k87 s THR 26 Ca 0.25 -1.82 -0.23 0.00 -1.18 0.00 0.00 61.69 58.71 2k87 s THR 26 Cb -0.05 -1.89 0.05 0.00 1.34 0.00 0.00 72.50 71.96 2k87 s THR 26 CO 0.11 -0.57 0.72 0.00 -0.54 0.00 0.00 174.62 174.34 2k87 h SER 28 N 2.00 0.30 -2.32 0.00 0.02 -2.03 -3.25 113.55 108.26 2k87 h SER 28 Ca -0.26 0.06 -0.53 0.00 -0.84 0.00 0.00 61.79 60.23 2k87 h SER 28 Cb 1.27 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 2k87 h SER 28 CO 0.30 0.18 1.21 0.21 -1.14 0.00 0.00 176.83 177.60 2k87 s ASN 29 N -5.43 5.74 0.14 3.07 3.84 -1.26 -4.88 114.94 116.16 2k87 s ASN 29 Ca -0.13 0.18 -0.17 0.00 0.21 0.00 0.00 52.86 52.95 2k87 s ASN 29 Cb 0.16 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 38.31 2k87 s ASN 29 CO 0.75 -2.04 1.77 0.71 -2.79 0.00 0.00 177.10 175.49 2k87 h THR 30 N 6.54 1.12 -0.86 -5.21 1.35 -1.96 -2.66 112.91 111.23 2k87 h THR 30 Ca -0.27 -0.29 0.07 0.00 -0.55 0.00 0.00 66.41 65.37 2k87 h THR 30 Cb 1.12 0.67 -0.06 0.00 -1.73 0.00 0.00 68.15 68.15 2k87 h THR 30 CO 1.21 0.12 0.56 0.50 -0.25 0.00 0.00 175.52 177.66 2k87 h LYS 31 N 0.46 0.90 0.07 4.72 1.63 -1.90 -0.57 116.57 121.88 2k87 h LYS 31 Ca 0.13 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2k87 h LYS 31 Cb 0.01 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.40 2k87 h LYS 31 CO -0.02 0.59 -0.25 0.35 -3.45 0.00 0.00 179.45 176.67 2k87 h PHE 32 N 0.92 -0.68 -0.11 1.91 3.57 -1.76 0.14 116.94 120.94 2k87 h PHE 32 Ca 0.38 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.80 2k87 h PHE 32 Cb 0.27 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2k87 h PHE 32 CO -0.00 -0.35 -0.34 0.00 -2.23 0.00 0.00 178.31 175.39 2k87 h ALA 33 N 0.35 1.23 -0.44 2.41 0.00 -1.53 -2.66 119.26 118.62 2k87 h ALA 33 Ca 0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2k87 h ALA 33 Cb 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2k87 h ALA 33 CO -0.18 0.52 0.10 0.22 0.00 0.00 0.00 179.25 179.92 2k87 h ASP 34 N 0.18 0.67 -0.00 0.00 1.82 -0.04 0.16 116.42 119.20 2k87 h ASP 34 Ca 0.02 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2k87 h ASP 34 Cb 0.70 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 2k87 h ASP 34 CO 0.05 0.73 -0.00 -0.78 -1.61 0.00 0.00 179.24 177.63 2k87 h ASP 35 N 0.58 0.01 -0.59 2.28 1.82 -0.76 -0.84 116.42 118.91 2k87 h ASP 35 Ca 0.14 -0.38 0.08 0.00 -0.39 0.00 0.00 57.03 56.47 2k87 h ASP 35 Cb 0.32 -0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.27 2k87 h ASP 35 CO 0.00 0.39 0.24 -0.07 -1.61 0.00 0.00 179.24 178.20 2k87 h LEU 36 N -0.37 0.28 -1.04 2.28 4.07 -1.42 -0.87 115.31 118.24 2k87 h LEU 36 Ca 0.00 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 2k87 h LEU 36 Cb 0.39 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 2k87 h LEU 36 CO 0.00 0.17 0.03 0.78 -1.08 0.00 0.00 178.44 178.34 2k87 h ASN 37 N 0.45 0.68 -0.58 -0.43 2.35 -0.58 -2.29 115.58 115.18 2k87 h ASN 37 Ca 0.29 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2k87 h ASN 37 Cb 0.32 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 2k87 h ASN 37 CO -0.27 0.73 0.24 1.56 -1.65 0.00 0.00 177.43 178.04 2k87 h GLN 38 N 0.68 0.90 0.05 0.81 1.08 0.03 -0.60 115.11 118.06 2k87 h GLN 38 Ca 0.14 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k87 h GLN 38 Cb 0.38 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2k87 h GLN 38 CO 0.01 0.74 -0.02 0.52 -0.95 0.00 0.00 178.83 179.13 2k87 h MET 39 N 0.88 -0.06 -0.06 1.46 2.86 -0.66 -3.20 114.93 116.15 2k87 h MET 39 Ca 0.21 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.75 2k87 h MET 39 Cb 0.18 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2k87 h MET 39 CO -0.02 0.05 -0.42 1.79 1.06 0.00 0.00 176.91 179.37 2k87 h THR 40 N -0.16 1.31 0.00 2.22 1.35 -1.03 -3.47 112.91 113.14 2k87 h THR 40 Ca -0.01 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 2k87 h THR 40 Cb 0.14 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2k87 h THR 40 CO 0.01 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 2k87 n GLY 41 N -0.24 0.74 3.57 5.82 0.00 -0.28 -5.04 105.19 109.77 2k87 n GLY 41 Ca -0.02 -0.09 -0.52 0.00 0.00 0.00 0.00 46.02 45.39 2k87 n GLY 41 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k87 n PHE 42 N -2.49 1.26 -3.87 1.61 7.35 -0.99 -4.99 117.46 115.33 2k87 n PHE 42 Ca 0.00 0.72 -0.12 0.00 -0.76 0.00 0.00 57.45 57.29 2k87 n PHE 42 Cb 0.00 -2.27 -0.13 0.00 0.35 0.00 0.00 39.48 37.43 2k87 n PHE 42 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2k87 s THR 43 N 0.14 0.01 0.83 -2.13 2.01 -1.26 -4.90 115.64 110.33 2k87 s THR 43 Ca 0.81 -0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.61 2k87 s THR 43 Cb -0.96 -0.09 0.09 0.00 0.01 0.00 0.00 72.50 71.55 2k87 s THR 43 CO 0.50 -0.04 1.10 -0.54 -0.69 0.00 0.00 174.62 174.95 2k87 s LYS 44 N -0.11 1.81 0.08 4.92 1.02 -1.26 -4.23 119.74 121.96 2k87 s LYS 44 Ca -0.01 0.66 -0.31 0.00 0.02 0.00 0.00 55.97 56.32 2k87 s LYS 44 Cb -0.01 -1.89 -0.06 0.00 -0.52 0.00 0.00 37.83 35.35 2k87 s LYS 44 CO 0.00 -1.82 1.28 -1.25 -0.92 0.00 0.00 175.35 172.65 2k87 s PRO 45 N -5.11 4.38 -0.21 -1.68 0.04 -1.26 -5.10 135.00 126.06 2k87 s PRO 45 Ca 0.62 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 63.26 2k87 s PRO 45 Cb -0.15 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2k87 s PRO 45 CO 0.55 -0.35 1.08 0.00 0.04 0.00 0.00 177.00 178.31 2k87 s ALA 46 N 1.17 3.67 0.53 8.56 0.00 -1.26 -4.90 121.76 129.53 2k87 s ALA 46 Ca 0.61 0.24 0.27 0.00 0.00 0.00 0.00 51.96 53.08 2k87 s ALA 46 Cb -0.32 -3.55 1.61 0.00 0.00 0.00 0.00 23.12 20.85 2k87 s ALA 46 CO 0.29 -1.04 2.18 1.03 0.00 0.00 0.00 175.76 178.22 2k87 h SER 47 N 7.55 0.00 -5.17 0.00 0.87 -1.77 -3.44 113.55 111.59 2k87 h SER 47 Ca -0.21 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.27 2k87 h SER 47 Cb 1.07 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.90 2k87 h SER 47 CO 0.97 0.05 -0.31 0.00 -0.53 0.00 0.00 176.83 177.01 2k87 s ARG 48 N -4.56 0.97 -0.30 2.24 1.70 -1.26 -5.03 118.95 112.71 2k87 s ARG 48 Ca -0.04 -0.98 -0.02 0.00 -0.47 0.00 0.00 55.73 54.22 2k87 s ARG 48 Cb 0.15 0.37 0.12 0.00 -0.57 0.00 0.00 34.95 35.02 2k87 s ARG 48 CO 0.58 -0.34 0.21 -1.21 -1.08 0.00 0.00 175.30 173.46 2k87 s GLU 49 N -3.88 0.31 -0.23 3.89 2.02 -1.25 -0.65 118.70 118.91 2k87 s GLU 49 Ca 0.08 -0.54 -0.21 0.00 0.02 0.00 0.00 54.97 54.33 2k87 s GLU 49 Cb 0.04 -0.99 -0.02 0.00 0.10 0.00 0.00 34.13 33.26 2k87 s GLU 49 CO -0.08 -1.06 0.63 -0.51 0.02 0.00 0.00 175.26 174.26 2k87 s LEU 50 N 1.99 4.09 0.25 1.80 2.01 -0.12 -4.88 118.68 123.82 2k87 s LEU 50 Ca 0.11 0.76 -0.18 0.00 0.01 0.00 0.00 54.13 54.83 2k87 s LEU 50 Cb -0.16 -2.87 -0.08 0.00 0.01 0.00 0.00 46.19 43.08 2k87 s LEU 50 CO -0.28 -0.33 0.72 -0.44 1.01 0.00 0.00 176.35 177.02 2k87 s SER 51 N 1.36 6.95 0.02 2.29 0.01 -1.26 -0.60 113.70 122.46 2k87 s SER 51 Ca 0.27 1.35 0.08 0.00 1.31 0.00 0.00 55.95 58.96 2k87 s SER 51 Cb -0.16 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2k87 s SER 51 CO 0.09 -0.04 -0.23 -0.69 0.41 0.00 0.00 173.24 172.78 2k87 s VAL 52 N -1.67 2.41 0.03 3.43 1.01 -0.33 -0.60 120.40 124.68 2k87 s VAL 52 Ca 0.46 -1.20 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2k87 s VAL 52 Cb -0.14 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2k87 s VAL 52 CO 0.20 0.43 -0.20 0.42 0.00 0.00 0.00 175.10 175.95 2k87 s THR 53 N -0.79 1.58 0.04 3.92 -4.23 -0.98 -4.49 115.64 110.69 2k87 s THR 53 Ca 0.12 -1.10 -0.25 0.00 -1.18 0.00 0.00 61.69 59.29 2k87 s THR 53 Cb -0.10 -1.36 -0.05 0.00 1.34 0.00 0.00 72.50 72.32 2k87 s THR 53 CO 0.02 0.23 0.75 -0.36 -0.54 0.00 0.00 174.62 174.73 2k87 s PHE 54 N -0.73 3.74 0.78 3.99 0.08 -1.26 -0.65 117.98 123.93 2k87 s PHE 54 Ca 0.07 1.45 -0.15 0.00 0.12 0.00 0.00 56.93 58.43 2k87 s PHE 54 Cb -0.08 -2.80 0.04 0.00 -0.57 0.00 0.00 43.02 39.60 2k87 s PHE 54 CO 0.01 0.28 1.00 0.34 -0.10 0.00 0.00 175.22 176.76 2k87 n PHE 55 N 2.78 0.69 -2.68 0.36 7.35 -0.94 -2.14 117.46 122.88 2k87 n PHE 55 Ca -0.03 0.38 -0.42 0.00 -0.76 0.00 0.00 57.45 56.63 2k87 n PHE 55 Cb 0.50 -2.06 -0.03 0.00 0.35 0.00 0.00 39.48 38.24 2k87 n PHE 55 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2k87 s PRO 56 N -3.66 3.49 -0.12 -7.13 0.04 -1.26 -5.08 135.00 121.28 2k87 s PRO 56 Ca 0.72 -1.12 -0.04 0.00 0.04 0.00 0.00 61.00 60.60 2k87 s PRO 56 Cb -0.31 -4.97 0.06 0.00 0.04 0.00 0.00 34.50 29.32 2k87 s PRO 56 CO 0.52 -2.06 0.22 0.34 0.04 0.00 0.00 177.00 176.07 2k87 s ASP 57 N 4.35 0.61 -0.29 6.66 -1.08 -0.91 -5.06 116.67 120.95 2k87 s ASP 57 Ca 0.39 0.41 0.16 0.00 -0.52 0.00 0.00 52.55 52.99 2k87 s ASP 57 Cb -0.04 0.51 0.48 0.00 -1.46 0.00 0.00 42.92 42.42 2k87 s ASP 57 CO -0.04 -0.25 1.12 0.00 0.52 0.00 0.00 175.17 176.51 2k87 n LEU 58 N 5.34 2.81 -0.01 -1.34 -0.00 -1.26 -4.10 117.00 118.44 2k87 n LEU 58 Ca -0.05 -3.79 0.09 0.00 -0.00 0.00 0.00 56.01 52.26 2k87 n LEU 58 Cb 0.50 0.16 -0.14 0.00 -0.00 0.00 0.00 43.42 43.93 2k87 n LEU 58 CO 0.04 1.51 -0.70 0.59 -0.00 0.00 0.00 177.39 178.83 2k87 n ASN 59 N -0.56 0.77 -4.44 1.45 3.02 -1.26 -4.96 115.26 109.27 2k87 n ASN 59 Ca 0.21 -0.03 -0.29 0.00 -0.03 0.00 0.00 54.58 54.43 2k87 n ASN 59 Cb 0.84 1.82 0.24 0.00 -0.61 0.00 0.00 39.78 42.07 2k87 n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k87 n GLY 60 N 1.45 -2.04 0.23 7.41 0.00 -1.26 -4.92 105.19 106.05 2k87 n GLY 60 Ca -0.03 -1.08 0.01 0.00 0.00 0.00 0.00 46.02 44.92 2k87 n GLY 60 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k87 h ASP 61 N -2.54 0.22 -3.03 1.61 3.58 -1.21 -3.45 116.42 111.60 2k87 h ASP 61 Ca -0.59 -0.06 -0.48 0.00 0.42 0.00 0.00 57.03 56.32 2k87 h ASP 61 Cb 1.33 -0.06 -0.14 0.00 1.72 0.00 0.00 39.33 42.18 2k87 h ASP 61 CO 0.46 0.45 -0.71 -0.69 -2.88 0.00 0.00 179.24 175.87 2k87 s VAL 62 N -4.54 1.76 0.29 2.25 1.01 -0.61 -4.71 120.40 115.85 2k87 s VAL 62 Ca -0.05 -2.20 0.09 0.00 0.00 0.00 0.00 61.98 59.83 2k87 s VAL 62 Cb 0.15 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2k87 s VAL 62 CO 0.74 -0.47 0.01 -0.69 0.00 0.00 0.00 175.10 174.68 2k87 s VAL 63 N -2.95 3.19 -0.04 2.92 1.01 -0.49 -2.33 120.40 121.71 2k87 s VAL 63 Ca 0.26 -1.93 0.03 0.00 0.00 0.00 0.00 61.98 60.34 2k87 s VAL 63 Cb 0.01 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2k87 s VAL 63 CO 0.09 -0.32 -0.12 0.00 0.00 0.00 0.00 175.10 174.75 2k87 s ALA 64 N -2.38 1.14 0.05 5.51 0.00 0.18 -2.25 121.76 124.00 2k87 s ALA 64 Ca 0.33 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 51.96 2k87 s ALA 64 Cb -0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 2k87 s ALA 64 CO 0.20 0.15 -0.26 0.42 0.00 0.00 0.00 175.76 176.27 2k87 s ILE 65 N 0.38 2.07 0.23 0.00 -1.09 0.26 -2.22 121.20 120.83 2k87 s ILE 65 Ca -0.08 -1.38 -0.30 0.00 -2.23 0.00 0.00 60.65 56.66 2k87 s ILE 65 Cb -0.12 -1.78 -0.10 0.00 -1.58 0.00 0.00 42.46 38.88 2k87 s ILE 65 CO 0.02 0.33 1.46 1.51 -1.23 0.00 0.00 174.94 177.03 2k87 s ASP 66 N -1.26 6.65 0.63 3.58 1.47 -1.26 -1.79 116.67 124.69 2k87 s ASP 66 Ca 0.11 2.63 0.33 0.00 1.18 0.00 0.00 52.55 56.81 2k87 s ASP 66 Cb -0.10 -2.62 1.87 0.00 -0.34 0.00 0.00 42.92 41.74 2k87 s ASP 66 CO 0.02 -0.72 2.14 0.22 0.68 0.00 0.00 175.17 177.52 2k87 h TYR 67 N 5.46 0.00 0.00 2.11 5.03 -1.84 -1.79 116.97 125.94 2k87 h TYR 67 Ca -0.45 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.86 2k87 h TYR 67 Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.49 2k87 h TYR 67 CO 0.61 0.00 0.00 0.07 -1.32 0.00 0.00 178.16 177.52 2k87 h ARG 68 N 0.00 0.00 -0.00 1.82 0.11 -1.90 0.64 114.38 115.05 2k87 h ARG 68 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2k87 h ARG 68 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 2k87 h ARG 68 CO -0.00 0.00 -0.15 0.72 0.10 0.00 0.00 179.97 180.64 2k87 n HIS 69 N -2.68 0.00 -2.31 4.08 8.25 -0.67 -4.75 115.22 117.13 2k87 n HIS 69 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 2k87 n HIS 69 Cb 0.08 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 30.84 2k87 n HIS 69 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2k87 s TYR 70 N -2.77 2.26 0.59 4.41 5.04 0.21 -4.95 117.35 122.15 2k87 s TYR 70 Ca 0.20 -0.33 -0.07 0.00 -2.44 0.00 0.00 57.07 54.42 2k87 s TYR 70 Cb 0.19 -4.37 -0.01 0.00 0.35 0.00 0.00 41.96 38.13 2k87 s TYR 70 CO 0.54 -1.65 0.93 0.45 -1.34 0.00 0.00 175.55 174.47 2k87 s SER 71 N 5.92 5.80 0.61 4.32 0.15 -1.26 -5.00 113.70 124.25 2k87 s SER 71 Ca 0.60 0.93 0.31 0.00 0.70 0.00 0.00 55.95 58.49 2k87 s SER 71 Cb -0.01 -1.97 1.75 0.00 -1.71 0.00 0.00 66.02 64.08 2k87 s SER 71 CO 0.03 -0.98 2.11 0.00 1.20 0.00 0.00 173.24 175.61 2k87 h ALA 72 N -0.19 1.65 -0.35 5.45 0.00 -2.01 -1.04 119.26 122.76 2k87 h ALA 72 Ca -0.45 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.55 2k87 h ALA 72 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k87 h ALA 72 CO 0.62 -0.27 0.26 0.77 0.00 0.00 0.00 179.25 180.63 2k87 h SER 73 N 0.00 0.00 -0.52 0.00 0.02 -1.97 -2.50 113.55 108.58 2k87 h SER 73 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2k87 h SER 73 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2k87 h SER 73 CO -0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 2k87 n PHE 74 N -4.40 1.67 -0.17 3.45 3.72 -0.39 -4.65 117.46 116.70 2k87 n PHE 74 Ca 0.05 -0.73 0.15 0.00 -0.05 0.00 0.00 57.45 56.88 2k87 n PHE 74 Cb 0.44 -0.40 0.50 0.00 -0.94 0.00 0.00 39.48 39.08 2k87 n PHE 74 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2k87 h LYS 75 N 3.53 0.41 -0.62 -1.08 2.10 -1.56 -2.11 116.57 117.24 2k87 h LYS 75 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2k87 h LYS 75 Cb 1.72 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.96 2k87 h LYS 75 CO 0.36 0.27 0.00 1.63 -2.00 0.00 0.00 179.45 179.72 2k87 n LYS 76 N -4.48 2.61 0.00 0.07 5.02 -1.26 -4.83 118.16 115.29 2k87 n LYS 76 Ca 0.14 -2.25 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 2k87 n LYS 76 Cb 0.52 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2k87 n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k87 n GLY 77 N 1.38 1.78 3.61 0.72 0.00 -0.79 -4.35 105.19 107.54 2k87 n GLY 77 Ca 0.21 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 2k87 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k87 s ALA 78 N -1.83 -1.44 0.12 4.61 0.00 -1.26 -2.86 121.76 119.10 2k87 s ALA 78 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 2k87 s ALA 78 Cb 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 2k87 s ALA 78 CO 0.00 -0.89 0.11 -1.59 0.00 0.00 0.00 175.76 173.39 2k87 s LYS 79 N -3.81 0.92 0.00 0.00 0.00 -0.08 -3.31 119.74 113.47 2k87 s LYS 79 Ca 0.05 -1.29 0.00 0.00 0.00 0.00 0.00 55.97 54.73 2k87 s LYS 79 Cb -0.03 0.28 0.00 0.00 0.00 0.00 0.00 37.83 38.08 2k87 s LYS 79 CO -0.04 -0.27 0.00 -0.11 0.00 0.00 0.00 175.35 174.92 2k87 n LEU 80 N -0.09 0.00 -0.16 2.77 0.00 0.36 -1.48 117.00 118.41 2k87 n LEU 80 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.90 2k87 n LEU 80 Cb 0.63 0.00 0.06 0.00 0.00 0.00 0.00 43.42 44.11 2k87 n LEU 80 CO 0.28 0.00 0.95 0.25 0.00 0.00 0.00 177.39 178.86 2k87 h LEU 81 N 0.00 0.12 0.00 -1.96 6.46 -1.84 -3.41 115.31 114.69 2k87 h LEU 81 Ca 0.00 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2k87 h LEU 81 Cb 0.00 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2k87 h LEU 81 CO 0.00 0.10 0.00 0.00 -0.62 0.00 0.00 178.44 177.92 2k87 n HIS 82 N -5.04 0.00 -2.09 1.25 1.44 -1.26 -5.13 115.22 104.40 2k87 n HIS 82 Ca 0.05 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.42 2k87 n HIS 82 Cb 0.22 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.34 2k87 n HIS 82 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2k87 s LYS 83 N -1.00 3.16 0.66 -1.40 1.02 -1.26 -4.97 119.74 115.95 2k87 s LYS 83 Ca 0.00 1.56 -0.15 0.00 0.02 0.00 0.00 55.97 57.41 2k87 s LYS 83 Cb 0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 2k87 s LYS 83 CO 0.00 -1.00 1.10 -1.25 -0.92 0.00 0.00 175.35 173.29 2k87 s PRO 84 N -3.53 2.79 0.20 -1.68 0.04 -1.26 -0.48 135.00 131.07 2k87 s PRO 84 Ca 0.71 1.36 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2k87 s PRO 84 Cb -0.23 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2k87 s PRO 84 CO 0.32 -1.26 -0.03 0.96 0.04 0.00 0.00 177.00 177.03 2k87 s ILE 85 N -2.40 1.02 0.30 0.56 -5.25 -1.21 -1.40 121.20 112.82 2k87 s ILE 85 Ca 0.66 -2.03 0.03 0.00 -0.99 0.00 0.00 60.65 58.32 2k87 s ILE 85 Cb -0.20 -2.17 -0.04 0.00 2.95 0.00 0.00 42.46 43.00 2k87 s ILE 85 CO 0.43 -0.47 0.15 0.68 -1.79 0.00 0.00 174.94 173.94 2k87 s VAL 86 N -3.43 0.34 -0.35 8.37 -7.23 -0.95 -4.75 120.40 112.41 2k87 s VAL 86 Ca 0.24 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2k87 s VAL 86 Cb 0.05 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.48 2k87 s VAL 86 CO 0.06 0.00 0.16 0.26 -0.31 0.00 0.00 175.10 175.26 2k87 s TRP 87 N -3.64 3.22 -0.03 2.82 0.52 -1.26 -0.58 118.94 120.00 2k87 s TRP 87 Ca 0.36 -1.02 0.04 0.00 0.02 0.00 0.00 56.10 55.50 2k87 s TRP 87 Cb 0.05 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.98 2k87 s TRP 87 CO 0.17 -0.63 -0.12 -3.38 0.02 0.00 0.00 176.95 173.01 2k87 s HIS 88 N 1.52 2.75 -0.21 -1.98 -3.43 -0.74 -4.85 115.29 108.35 2k87 s HIS 88 Ca 0.02 -0.12 0.01 0.00 -0.80 0.00 0.00 55.06 54.17 2k87 s HIS 88 Cb -0.19 -1.61 0.04 0.00 -1.43 0.00 0.00 32.58 29.40 2k87 s HIS 88 CO 0.05 0.26 -0.12 0.42 -2.00 0.00 0.00 174.74 173.35 2k87 s ILE 89 N -0.83 1.84 -1.40 -5.38 1.01 -0.83 -2.58 121.20 113.03 2k87 s ILE 89 Ca 0.13 -1.17 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 2k87 s ILE 89 Cb -0.11 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.48 2k87 s ILE 89 CO 0.03 0.17 0.62 -0.46 0.00 0.00 0.00 174.94 175.29 2k87 n ASN 90 N 4.61 -5.79 -3.85 3.58 2.04 -1.26 -0.30 115.26 114.29 2k87 n ASN 90 Ca -0.15 -0.29 -0.27 0.00 -0.44 0.00 0.00 54.58 53.42 2k87 n ASN 90 Cb 0.46 -4.59 0.03 0.00 -2.53 0.00 0.00 39.78 33.15 2k87 n ASN 90 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k87 n GLN 91 N -3.85 -5.26 -4.16 -3.83 6.02 -1.26 -5.02 117.38 100.03 2k87 n GLN 91 Ca -0.09 0.60 -0.10 0.00 -0.01 0.00 0.00 57.00 57.40 2k87 n GLN 91 Cb 0.60 -5.35 -0.10 0.00 1.02 0.00 0.00 30.24 26.41 2k87 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k87 s ALA 92 N -3.44 0.90 0.13 -1.58 0.00 0.58 -4.74 121.76 113.61 2k87 s ALA 92 Ca 0.43 -1.48 0.08 0.00 0.00 0.00 0.00 51.96 50.99 2k87 s ALA 92 Cb -0.22 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2k87 s ALA 92 CO 0.83 -0.48 -0.13 -0.08 0.00 0.00 0.00 175.76 175.89 2k87 s THR 93 N -4.03 3.11 0.30 0.00 -1.32 -1.26 -1.96 115.64 110.49 2k87 s THR 93 Ca 0.24 -1.45 0.04 0.00 -1.21 0.00 0.00 61.69 59.32 2k87 s THR 93 Cb 0.07 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.57 2k87 s THR 93 CO 0.02 0.06 0.20 0.42 -2.21 0.00 0.00 174.62 173.11 2k87 s THR 94 N -1.29 0.14 0.47 5.08 -4.23 -1.26 -5.01 115.64 109.54 2k87 s THR 94 Ca 0.21 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.98 2k87 s THR 94 Cb -0.10 -2.49 0.46 0.00 1.34 0.00 0.00 72.50 71.71 2k87 s THR 94 CO 0.13 0.00 1.80 0.11 -0.54 0.00 0.00 174.62 176.12 2k87 h LYS 95 N 2.22 0.20 -0.27 3.99 1.79 -2.02 0.51 116.57 122.99 2k87 h LYS 95 Ca -0.30 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.14 2k87 h LYS 95 Cb 1.24 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 2k87 h LYS 95 CO 0.46 0.13 0.10 1.15 -1.08 0.00 0.00 179.45 180.21 2k87 h THR 96 N 0.20 1.18 0.00 -0.16 2.02 -2.02 -3.18 112.91 110.95 2k87 h THR 96 Ca 0.56 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2k87 h THR 96 Cb 1.79 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 2k87 h THR 96 CO -0.16 0.19 -0.55 0.35 0.37 0.00 0.00 175.52 175.73 2k87 n THR 97 N -4.75 0.29 0.01 3.16 -2.24 -0.31 -4.27 114.28 106.16 2k87 n THR 97 Ca -0.03 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 2k87 n THR 97 Cb 0.14 -0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.18 2k87 n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2k87 h PHE 98 N 0.00 -0.02 -0.29 4.78 3.57 -0.94 -0.94 116.94 123.08 2k87 h PHE 98 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2k87 h PHE 98 Cb 0.69 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 2k87 h PHE 98 CO 0.00 0.37 0.18 0.87 -2.23 0.00 0.00 178.31 177.50 2k87 h LYS 99 N -0.42 0.37 -0.16 1.11 1.79 -1.74 -1.18 116.57 116.34 2k87 h LYS 99 Ca -0.00 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 2k87 h LYS 99 Cb 0.40 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 2k87 h LYS 99 CO 0.00 0.24 -0.30 -1.00 -1.08 0.00 0.00 179.45 177.32 2k87 h PRO 100 N 0.38 0.30 0.00 3.15 0.13 -1.77 -3.28 132.00 130.92 2k87 h PRO 100 Ca 0.11 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2k87 h PRO 100 Cb -0.03 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.08 2k87 h PRO 100 CO -0.04 0.58 -0.08 -0.91 -0.23 0.00 0.00 178.00 177.32 2k87 h ASN 101 N 0.27 0.00 -0.43 1.44 2.35 0.10 -0.85 115.58 118.46 2k87 h ASN 101 Ca 0.04 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.88 2k87 h ASN 101 Cb 0.66 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 2k87 h ASN 101 CO 0.05 0.08 0.30 0.71 -1.65 0.00 0.00 177.43 176.92 2k87 h THR 102 N 0.00 0.88 0.00 2.81 1.35 -1.56 0.14 112.91 116.54 2k87 h THR 102 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2k87 h THR 102 Cb 0.16 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2k87 h THR 102 CO 0.01 0.04 0.00 0.79 -0.25 0.00 0.00 175.52 176.11 2k87 n TRP 103 N -4.46 0.00 -0.12 4.73 7.02 -0.32 -0.79 117.44 123.51 2k87 n TRP 103 Ca 0.07 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.33 2k87 n TRP 103 Cb 0.36 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.13 2k87 n TRP 103 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2k87 h LEU 105 N -0.29 1.08 -1.55 0.00 4.07 -1.23 -0.04 115.31 117.36 2k87 h LEU 105 Ca -0.58 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.16 2k87 h LEU 105 Cb 1.82 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 43.27 2k87 h LEU 105 CO -0.16 1.02 0.00 0.03 -1.08 0.00 0.00 178.44 178.25 2k87 h ARG 106 N 1.10 0.00 0.00 1.13 3.08 -1.20 -0.08 114.38 118.41 2k87 h ARG 106 Ca 0.23 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.05 2k87 h ARG 106 Cb 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 2k87 h ARG 106 CO -0.00 0.00 -1.32 0.00 -1.07 0.00 0.00 179.97 177.57 2k87 h LEU 108 N 0.00 0.00 -8.68 0.00 3.38 -0.84 -3.44 115.31 105.73 2k87 h LEU 108 Ca -0.15 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.13 2k87 h LEU 108 Cb 1.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 2k87 h LEU 108 CO 0.10 0.81 1.26 0.79 0.09 0.00 0.00 178.44 181.49 2k87 n TRP 109 N -3.48 1.71 -2.04 1.13 7.02 -0.17 -4.92 117.44 116.69 2k87 n TRP 109 Ca -0.00 0.38 -0.38 0.00 -1.02 0.00 0.00 57.50 56.48 2k87 n TRP 109 Cb 0.81 -2.49 0.01 0.00 -2.42 0.00 0.00 31.31 27.21 2k87 n TRP 109 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2k87 s SER 110 N 6.02 5.81 0.86 -0.99 0.15 -0.51 -4.25 113.70 120.78 2k87 s SER 110 Ca 1.07 2.53 -0.11 0.00 0.70 0.00 0.00 55.95 60.14 2k87 s SER 110 Cb -0.97 -2.62 0.11 0.00 -1.71 0.00 0.00 66.02 60.83 2k87 s SER 110 CO 0.55 -1.18 1.14 0.42 1.20 0.00 0.00 173.24 175.38 2k87 s THR 111 N -1.42 2.35 -0.58 6.45 -4.23 -1.26 -0.01 115.64 116.94 2k87 s THR 111 Ca 0.66 0.12 -0.27 0.00 -1.18 0.00 0.00 61.69 61.02 2k87 s THR 111 Cb -0.34 -2.31 -0.15 0.00 1.34 0.00 0.00 72.50 71.03 2k87 s THR 111 CO 0.41 -0.14 1.82 1.17 -0.54 0.00 0.00 174.62 177.34 2k87 n LYS 112 N -3.88 0.00 -0.79 3.99 0.00 -1.25 -4.83 118.16 111.41 2k87 n LYS 112 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 58.11 2k87 n LYS 112 Cb 0.52 -1.11 0.15 0.00 0.00 0.00 0.00 35.03 34.59 2k87 n LYS 112 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2k87 n PRO 113 N 5.97 -0.30 -0.29 1.64 -0.02 -1.26 -4.92 135.00 135.81 2k87 n PRO 113 Ca 0.45 -0.02 0.05 0.00 -2.02 0.00 0.00 63.50 61.96 2k87 n PRO 113 Cb -0.00 -2.31 0.17 0.00 -0.02 0.00 0.00 33.50 31.34 2k87 n PRO 113 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2k87 n VAL 114 N -3.95 0.86 0.12 -1.45 0.24 -1.26 -4.30 118.33 108.59 2k87 n VAL 114 Ca 0.12 -0.56 -0.22 0.00 -2.04 0.00 0.00 64.34 61.64 2k87 n VAL 114 Cb 0.52 -0.06 -0.15 0.00 -1.47 0.00 0.00 33.84 32.67 2k87 n VAL 114 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2k87 h ASP 115 N 1.96 0.68 0.00 -1.34 1.82 -2.00 -3.57 116.42 113.96 2k87 h ASP 115 Ca 0.00 -0.79 0.00 0.00 -0.39 0.00 0.00 57.03 55.85 2k87 h ASP 115 Cb 0.81 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.60 2k87 h ASP 115 CO 0.11 1.63 0.00 1.07 -1.61 0.00 0.00 179.24 180.44