#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k87 n TYR 2 N 0.00 0.22 -1.84 2.03 4.19 -1.26 -4.94 117.16 115.56 2k87 n TYR 2 Ca 0.00 0.39 -0.12 0.00 3.31 0.00 0.00 57.90 61.48 2k87 n TYR 2 Cb 0.00 -2.03 0.10 0.00 0.49 0.00 0.00 39.34 37.90 2k87 n TYR 2 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 2k87 n THR 3 N -2.40 2.41 -2.54 2.97 -1.04 -1.26 -4.97 114.28 107.45 2k87 n THR 3 Ca 0.12 -3.80 -0.41 0.00 -2.04 0.00 0.00 64.05 57.92 2k87 n THR 3 Cb 0.49 -0.77 -0.02 0.00 -1.82 0.00 0.00 70.33 68.22 2k87 n THR 3 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2k87 s GLU 4 N -3.45 3.69 0.39 -2.82 -1.05 -1.26 -4.88 118.70 109.31 2k87 s GLU 4 Ca 0.46 -1.42 0.00 0.00 -0.15 0.00 0.00 54.97 53.85 2k87 s GLU 4 Cb 0.39 -5.42 0.00 0.00 -0.44 0.00 0.00 34.13 28.67 2k87 s GLU 4 CO -0.01 -2.30 0.00 0.00 0.95 0.00 0.00 175.26 173.91 2k87 n GLN 5 N 8.69 -2.42 -1.73 -4.83 10.64 -1.26 -4.85 117.38 121.61 2k87 n GLN 5 Ca 0.39 1.60 -0.29 0.00 -1.83 0.00 0.00 57.00 56.87 2k87 n GLN 5 Cb 0.49 -2.96 0.15 0.00 -0.86 0.00 0.00 30.24 27.06 2k87 n GLN 5 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2k87 s PRO 6 N -1.95 0.92 -1.33 2.61 0.04 -1.26 -4.96 135.00 129.07 2k87 s PRO 6 Ca 0.00 -0.06 -0.08 0.00 0.04 0.00 0.00 61.00 60.90 2k87 s PRO 6 Cb 0.00 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.82 2k87 s PRO 6 CO 0.00 -2.28 2.13 -0.89 0.04 0.00 0.00 177.00 176.00 2k87 n ILE 7 N -3.75 4.56 -1.53 0.56 5.41 -1.26 -4.37 119.36 118.98 2k87 n ILE 7 Ca 0.11 -4.16 -0.18 0.00 1.00 0.00 0.00 62.75 59.51 2k87 n ILE 7 Cb 0.60 -2.30 -0.08 0.00 -0.71 0.00 0.00 39.64 37.15 2k87 n ILE 7 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2k87 n ASP 8 N 3.33 -5.40 -4.68 4.38 -0.08 -1.26 -4.43 116.55 108.41 2k87 n ASP 8 Ca 0.50 0.46 -0.42 0.00 -1.51 0.00 0.00 54.79 53.81 2k87 n ASP 8 Cb 0.32 -4.61 -0.03 0.00 2.34 0.00 0.00 41.12 39.14 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 -4.24 4.31 -0.03 -2.67 2.96 -1.26 -3.50 118.68 114.25 2k87 s LEU 9 Ca 0.00 2.14 0.03 0.00 -0.22 0.00 0.00 54.13 56.08 2k87 s LEU 9 Cb 0.00 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.13 2k87 s LEU 9 CO 0.00 -0.77 -0.12 0.68 -1.32 0.00 0.00 176.35 174.82 2k87 s VAL 10 N 2.76 1.00 0.65 1.68 -7.23 -0.08 -4.90 120.40 114.28 2k87 s VAL 10 Ca 0.66 -0.50 -0.16 0.00 -1.81 0.00 0.00 61.98 60.16 2k87 s VAL 10 Cb -0.32 -0.87 -0.00 0.00 0.56 0.00 0.00 36.38 35.75 2k87 s VAL 10 CO 0.27 0.30 1.16 -2.84 -0.31 0.00 0.00 175.10 173.67 2k87 s PRO 11 N 0.01 2.73 0.36 4.82 0.02 -1.26 -0.59 135.00 141.09 2k87 s PRO 11 Ca -0.01 1.61 -0.03 0.00 0.02 0.00 0.00 61.00 62.59 2k87 s PRO 11 Cb -0.08 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.53 2k87 s PRO 11 CO 0.01 -1.35 0.53 -2.37 -0.33 0.00 0.00 177.00 173.49 2k87 n THR 12 N -2.18 0.00 -3.89 0.99 5.66 -0.96 -4.74 114.28 109.16 2k87 n THR 12 Ca 0.12 -1.72 -0.10 0.00 -3.05 0.00 0.00 64.05 59.30 2k87 n THR 12 Cb 0.51 1.10 -0.09 0.00 -1.55 0.00 0.00 70.33 70.30 2k87 n THR 12 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2k87 s GLN 13 N -2.73 0.54 0.62 1.09 1.11 -1.26 -3.41 119.66 115.62 2k87 s GLN 13 Ca 0.28 -0.57 -0.14 0.00 0.01 0.00 0.00 55.36 54.94 2k87 s GLN 13 Cb -0.01 0.22 -0.03 0.00 -1.01 0.00 0.00 33.01 32.18 2k87 s GLN 13 CO 0.20 -0.14 1.05 -1.25 0.01 0.00 0.00 175.29 175.17 2k87 s PRO 14 N -1.99 3.27 0.50 2.91 0.04 -1.26 -5.01 135.00 133.47 2k87 s PRO 14 Ca -0.10 1.09 -0.05 0.00 0.04 0.00 0.00 61.00 61.97 2k87 s PRO 14 Cb -0.05 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2k87 s PRO 14 CO -0.01 -0.84 0.81 -0.48 0.04 0.00 0.00 177.00 176.51 2k87 s LEU 15 N -4.81 3.55 0.00 -3.56 0.05 -1.26 -5.08 118.68 107.58 2k87 s LEU 15 Ca 0.61 0.91 -0.12 0.00 0.05 0.00 0.00 54.13 55.58 2k87 s LEU 15 Cb -0.15 -3.84 0.16 0.00 -2.05 0.00 0.00 46.19 40.31 2k87 s LEU 15 CO 0.43 -0.66 0.87 -0.81 -0.55 0.00 0.00 176.35 175.63 2k87 n PRO 16 N -2.33 -1.15 0.00 1.48 -0.04 -1.26 -4.27 135.00 127.43 2k87 n PRO 16 Ca 0.01 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 2k87 n PRO 16 Cb 0.55 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 2k87 n PRO 16 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2k87 n ASN 17 N -3.70 0.00 -4.48 3.54 3.02 -1.26 -4.94 115.26 107.45 2k87 n ASN 17 Ca 0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.28 2k87 n ASN 17 Cb 0.39 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.59 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 0.02 -1.09 -2.98 5.41 0.00 -1.26 -4.53 120.51 116.08 2k87 n ALA 18 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 2k87 n ALA 18 Cb 0.00 -1.85 -0.09 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.20 -0.02 0.68 0.00 0.15 -0.34 -4.96 113.70 108.01 2k87 s SER 19 Ca 0.69 -0.25 -0.16 0.00 0.70 0.00 0.00 55.95 56.93 2k87 s SER 19 Cb -0.43 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.17 2k87 s SER 19 CO 0.54 -0.52 1.21 0.12 1.20 0.00 0.00 173.24 175.80 2k87 s PHE 20 N -2.17 2.18 0.40 3.44 5.36 -1.26 -2.35 117.98 123.58 2k87 s PHE 20 Ca -0.08 1.56 0.04 0.00 -0.96 0.00 0.00 56.93 57.49 2k87 s PHE 20 Cb -0.03 -3.48 -0.01 0.00 -0.34 0.00 0.00 43.02 39.15 2k87 s PHE 20 CO -0.02 -2.49 0.14 -0.25 -1.46 0.00 0.00 175.22 171.14 2k87 n ASP 21 N -2.31 1.27 -0.76 6.13 8.00 -1.26 -4.92 116.55 122.70 2k87 n ASP 21 Ca 0.14 -3.14 0.00 0.00 0.71 0.00 0.00 54.79 52.49 2k87 n ASP 21 Cb 0.50 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.61 2k87 n ASP 21 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k87 n ASN 22 N -1.53 1.48 -4.72 -2.24 4.13 -1.26 -4.81 115.26 106.31 2k87 n ASN 22 Ca -0.06 -1.45 -0.42 0.00 1.68 0.00 0.00 54.58 54.33 2k87 n ASN 22 Cb 0.60 -0.36 -0.03 0.00 -1.54 0.00 0.00 39.78 38.45 2k87 n ASN 22 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2k87 s PHE 23 N -0.34 3.39 0.27 3.10 -0.12 -1.26 -0.39 117.98 122.63 2k87 s PHE 23 Ca 0.00 1.24 -0.04 0.00 -0.05 0.00 0.00 56.93 58.08 2k87 s PHE 23 Cb 0.00 -3.48 -0.05 0.00 -0.63 0.00 0.00 43.02 38.86 2k87 s PHE 23 CO 0.00 -1.53 0.51 0.21 -0.05 0.00 0.00 175.22 174.36 2k87 s LYS 24 N 0.88 3.60 -0.03 1.99 2.20 0.32 -4.89 119.74 123.80 2k87 s LYS 24 Ca 0.59 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 56.06 2k87 s LYS 24 Cb -0.32 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 2k87 s LYS 24 CO 0.31 0.26 0.19 -0.51 -0.36 0.00 0.00 175.35 175.23 2k87 s LEU 25 N -3.52 4.38 0.14 5.43 1.02 -1.26 -0.69 118.68 124.17 2k87 s LEU 25 Ca 0.42 0.40 0.00 0.00 0.02 0.00 0.00 54.13 54.98 2k87 s LEU 25 Cb -0.11 -2.51 -0.04 0.00 0.02 0.00 0.00 46.19 43.55 2k87 s LEU 25 CO 0.30 0.29 0.02 0.42 0.02 0.00 0.00 176.35 177.40 2k87 s THR 26 N -1.26 0.39 0.03 5.49 -4.23 0.70 -4.76 115.64 112.00 2k87 s THR 26 Ca 0.25 -1.94 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 2k87 s THR 26 Cb -0.13 -2.03 0.10 0.00 1.34 0.00 0.00 72.50 71.78 2k87 s THR 26 CO 0.15 -0.52 1.06 0.00 -0.54 0.00 0.00 174.62 174.78 2k87 h SER 28 N 2.00 -1.31 -2.73 0.00 0.02 -2.01 -3.39 113.55 106.13 2k87 h SER 28 Ca -0.23 0.16 -0.57 0.00 -0.84 0.00 0.00 61.79 60.30 2k87 h SER 28 Cb 1.22 0.51 -0.03 0.00 0.14 0.00 0.00 62.40 64.24 2k87 h SER 28 CO 0.27 -0.36 1.23 0.21 -1.14 0.00 0.00 176.83 177.03 2k87 s ASN 29 N -4.30 6.05 0.04 3.07 3.84 -1.26 -4.90 114.94 117.49 2k87 s ASN 29 Ca -0.12 1.38 -0.28 0.00 0.21 0.00 0.00 52.86 54.05 2k87 s ASN 29 Cb 0.05 -2.53 -0.17 0.00 -0.55 0.00 0.00 41.25 38.05 2k87 s ASN 29 CO 0.46 -1.56 1.41 0.71 -2.79 0.00 0.00 177.10 175.33 2k87 h THR 30 N 6.61 0.49 -0.72 -5.21 1.35 -1.93 -3.03 112.91 110.47 2k87 h THR 30 Ca -0.34 -0.28 0.15 0.00 -0.55 0.00 0.00 66.41 65.39 2k87 h THR 30 Cb 1.16 0.61 -0.13 0.00 -1.73 0.00 0.00 68.15 68.05 2k87 h THR 30 CO 1.02 0.05 -0.15 0.50 -0.25 0.00 0.00 175.52 176.69 2k87 h LYS 31 N -0.82 0.02 0.24 4.72 1.63 -1.92 0.12 116.57 120.55 2k87 h LYS 31 Ca -0.07 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2k87 h LYS 31 Cb 0.57 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.17 2k87 h LYS 31 CO 0.11 0.01 -0.37 0.35 -3.45 0.00 0.00 179.45 176.10 2k87 h PHE 32 N 0.02 -1.02 -0.25 1.91 3.57 -1.75 0.66 116.94 120.08 2k87 h PHE 32 Ca 0.35 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.79 2k87 h PHE 32 Cb 0.56 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2k87 h PHE 32 CO -0.54 -0.50 -0.20 0.00 -2.23 0.00 0.00 178.31 174.83 2k87 h ALA 33 N -0.19 1.19 -0.27 2.41 0.00 -1.35 -2.00 119.26 119.04 2k87 h ALA 33 Ca -0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 2k87 h ALA 33 Cb 0.66 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k87 h ALA 33 CO -0.14 0.52 -0.47 0.22 0.00 0.00 0.00 179.25 179.38 2k87 h ASP 34 N 0.40 0.88 -0.59 0.00 3.58 -0.50 0.52 116.42 120.71 2k87 h ASP 34 Ca 0.07 -0.53 -0.06 0.00 0.42 0.00 0.00 57.03 56.93 2k87 h ASP 34 Cb 0.59 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 2k87 h ASP 34 CO 0.04 1.24 0.15 -0.78 -2.88 0.00 0.00 179.24 177.01 2k87 h ASP 35 N 0.55 0.90 -0.29 2.28 1.82 -0.84 -1.30 116.42 119.54 2k87 h ASP 35 Ca 0.02 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2k87 h ASP 35 Cb 1.07 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 2k87 h ASP 35 CO 0.11 0.90 0.18 -0.07 -1.61 0.00 0.00 179.24 178.74 2k87 h LEU 36 N 0.86 0.35 -2.12 2.28 3.38 -1.18 -2.00 115.31 116.88 2k87 h LEU 36 Ca 0.19 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2k87 h LEU 36 Cb 0.35 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k87 h LEU 36 CO 0.00 0.30 -0.07 0.78 0.09 0.00 0.00 178.44 179.53 2k87 h ASN 37 N 0.37 0.00 -0.09 -0.43 2.35 -0.66 -2.61 115.58 114.51 2k87 h ASN 37 Ca 0.10 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.71 2k87 h ASN 37 Cb 0.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.39 2k87 h ASN 37 CO -0.02 0.07 -0.51 1.56 -1.65 0.00 0.00 177.43 176.89 2k87 h GLN 38 N 0.00 0.50 -0.24 0.81 1.08 -0.54 -1.82 115.11 114.90 2k87 h GLN 38 Ca -0.00 -0.42 0.03 0.00 -1.45 0.00 0.00 58.65 56.81 2k87 h GLN 38 Cb 0.23 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2k87 h GLN 38 CO 0.01 1.05 0.16 0.52 -0.95 0.00 0.00 178.83 179.62 2k87 h MET 39 N 0.08 0.20 -0.04 1.46 2.86 -1.00 -1.35 114.93 117.13 2k87 h MET 39 Ca -0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2k87 h MET 39 Cb 1.16 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.77 2k87 h MET 39 CO 0.10 0.13 0.00 -2.37 1.06 0.00 0.00 176.91 175.84 2k87 n THR 40 N -4.50 0.03 -1.94 2.22 5.66 -1.20 -4.99 114.28 109.56 2k87 n THR 40 Ca 0.02 -0.51 -0.18 0.00 -3.05 0.00 0.00 64.05 60.32 2k87 n THR 40 Cb 0.17 1.41 -0.04 0.00 -1.55 0.00 0.00 70.33 70.31 2k87 n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k87 n GLY 41 N 1.18 0.70 1.71 1.09 0.00 -0.51 -4.86 105.19 104.51 2k87 n GLY 41 Ca 0.12 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.24 0.35 -4.84 1.61 7.35 -0.76 -4.99 117.46 112.94 2k87 n PHE 42 Ca -0.20 0.52 -0.31 0.00 -0.76 0.00 0.00 57.45 56.70 2k87 n PHE 42 Cb 0.63 -1.02 -0.14 0.00 0.35 0.00 0.00 39.48 39.30 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 0.09 2.46 0.48 -2.13 2.01 -1.26 -5.03 115.64 112.25 2k87 s THR 43 Ca 0.45 -1.24 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 2k87 s THR 43 Cb -0.63 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 69.90 2k87 s THR 43 CO 0.29 0.39 0.71 -0.54 -0.69 0.00 0.00 174.62 174.77 2k87 s LYS 44 N -1.24 2.97 0.17 4.92 1.02 -1.26 -4.16 119.74 122.15 2k87 s LYS 44 Ca 0.13 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.33 2k87 s LYS 44 Cb -0.10 -2.52 -0.08 0.00 -0.52 0.00 0.00 37.83 34.61 2k87 s LYS 44 CO 0.03 -0.38 1.29 -2.14 -0.92 0.00 0.00 175.35 173.23 2k87 s PRO 45 N -4.63 4.40 -0.33 -1.68 0.02 -1.26 -5.09 135.00 126.44 2k87 s PRO 45 Ca 0.50 1.99 -0.29 0.00 0.02 0.00 0.00 61.00 63.23 2k87 s PRO 45 Cb -0.10 -3.23 -0.00 0.00 0.02 0.00 0.00 34.50 31.19 2k87 s PRO 45 CO 0.39 -0.25 1.46 0.00 -0.33 0.00 0.00 177.00 178.26 2k87 s ALA 46 N 0.33 3.17 0.39 -1.55 0.00 -1.26 -4.86 121.76 117.99 2k87 s ALA 46 Ca 0.57 0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.73 2k87 s ALA 46 Cb -0.35 -3.88 0.81 0.00 0.00 0.00 0.00 23.12 19.70 2k87 s ALA 46 CO 0.36 -2.13 1.92 0.77 0.00 0.00 0.00 175.76 176.68 2k87 h SER 47 N 10.48 0.20 -5.23 0.00 0.02 -1.06 -3.45 113.55 114.51 2k87 h SER 47 Ca -0.29 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.50 2k87 h SER 47 Cb 1.12 -0.05 -0.15 0.00 0.14 0.00 0.00 62.40 63.46 2k87 h SER 47 CO 1.05 0.36 -0.62 0.00 -1.14 0.00 0.00 176.83 176.48 2k87 s ARG 48 N -4.72 0.68 -0.39 3.45 1.70 -1.22 -5.01 118.95 113.43 2k87 s ARG 48 Ca -0.05 -1.18 0.03 0.00 -0.47 0.00 0.00 55.73 54.05 2k87 s ARG 48 Cb 0.15 0.24 0.16 0.00 -0.57 0.00 0.00 34.95 34.93 2k87 s ARG 48 CO 0.73 -0.15 0.32 -1.21 -1.08 0.00 0.00 175.30 173.91 2k87 s GLU 49 N -3.92 0.76 -0.43 3.89 2.02 -1.25 -0.52 118.70 119.24 2k87 s GLU 49 Ca 0.08 -1.63 -0.29 0.00 0.02 0.00 0.00 54.97 53.15 2k87 s GLU 49 Cb 0.07 -1.21 0.01 0.00 0.10 0.00 0.00 34.13 33.10 2k87 s GLU 49 CO -0.10 -1.30 1.42 -0.51 0.02 0.00 0.00 175.26 174.79 2k87 s LEU 50 N 0.62 3.56 0.32 1.80 1.02 0.13 -4.61 118.68 121.52 2k87 s LEU 50 Ca 0.26 0.75 -0.28 0.00 0.02 0.00 0.00 54.13 54.88 2k87 s LEU 50 Cb -0.08 -3.47 -0.09 0.00 0.02 0.00 0.00 46.19 42.57 2k87 s LEU 50 CO -0.10 -1.48 1.11 -0.94 0.02 0.00 0.00 176.35 174.96 2k87 s SER 51 N 4.05 7.05 0.31 2.29 1.04 -1.26 -0.21 113.70 126.96 2k87 s SER 51 Ca 0.60 2.26 -0.07 0.00 0.48 0.00 0.00 55.95 59.22 2k87 s SER 51 Cb -0.13 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.31 2k87 s SER 51 CO 0.32 -0.30 0.61 -0.69 0.98 0.00 0.00 173.24 174.16 2k87 s VAL 52 N -1.29 4.95 0.01 5.02 1.01 0.03 -1.03 120.40 129.11 2k87 s VAL 52 Ca 0.49 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.76 2k87 s VAL 52 Cb -0.30 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2k87 s VAL 52 CO 0.39 -0.34 -0.08 0.42 0.00 0.00 0.00 175.10 175.49 2k87 s THR 53 N -2.12 0.59 -0.16 3.92 -4.23 -0.79 -4.66 115.64 108.19 2k87 s THR 53 Ca 0.46 -0.55 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 2k87 s THR 53 Cb -0.11 -0.54 -0.05 0.00 1.34 0.00 0.00 72.50 73.14 2k87 s THR 53 CO 0.29 0.00 0.25 -0.36 -0.54 0.00 0.00 174.62 174.26 2k87 s PHE 54 N -0.53 3.47 0.73 3.99 0.08 -1.25 -0.36 117.98 124.11 2k87 s PHE 54 Ca -0.01 0.55 -0.16 0.00 0.12 0.00 0.00 56.93 57.44 2k87 s PHE 54 Cb -0.05 -2.27 0.03 0.00 -0.57 0.00 0.00 43.02 40.16 2k87 s PHE 54 CO 0.00 0.31 1.15 0.34 -0.10 0.00 0.00 175.22 176.92 2k87 n PHE 55 N 3.35 1.26 -2.51 0.36 7.35 -1.06 -1.69 117.46 124.52 2k87 n PHE 55 Ca -0.13 0.41 -0.40 0.00 -0.76 0.00 0.00 57.45 56.56 2k87 n PHE 55 Cb 0.52 -2.14 -0.03 0.00 0.35 0.00 0.00 39.48 38.17 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 -3.63 3.41 -0.17 -7.13 0.04 -1.26 -5.10 135.00 121.16 2k87 s PRO 56 Ca 0.76 -0.83 -0.12 0.00 0.04 0.00 0.00 61.00 60.85 2k87 s PRO 56 Cb -0.34 -5.06 0.05 0.00 0.04 0.00 0.00 34.50 29.20 2k87 s PRO 56 CO 0.48 -2.29 0.43 0.34 0.04 0.00 0.00 177.00 175.99 2k87 s ASP 57 N 4.99 -0.50 -0.36 6.66 -1.08 -0.68 -5.09 116.67 120.61 2k87 s ASP 57 Ca 0.46 0.90 0.13 0.00 -0.52 0.00 0.00 52.55 53.52 2k87 s ASP 57 Cb -0.03 0.85 0.42 0.00 -1.46 0.00 0.00 42.92 42.70 2k87 s ASP 57 CO -0.03 -0.17 1.28 0.00 0.52 0.00 0.00 175.17 176.76 2k87 n LEU 58 N 3.56 -0.84 -0.02 -1.34 -0.00 -1.26 -3.91 117.00 113.19 2k87 n LEU 58 Ca -0.18 -3.45 0.06 0.00 -0.00 0.00 0.00 56.01 52.44 2k87 n LEU 58 Cb 0.56 0.16 -0.13 0.00 -0.00 0.00 0.00 43.42 44.01 2k87 n LEU 58 CO 0.10 1.74 -0.74 0.59 -0.00 0.00 0.00 177.39 179.07 2k87 n ASN 59 N -0.63 1.16 -4.78 1.45 3.02 -1.26 -5.03 115.26 109.18 2k87 n ASN 59 Ca -0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.23 2k87 n ASN 59 Cb 0.84 1.65 0.09 0.00 -0.61 0.00 0.00 39.78 41.75 2k87 n ASN 59 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k87 s GLY 60 N -4.07 1.64 0.50 7.41 0.00 -1.26 -4.94 107.32 106.61 2k87 s GLY 60 Ca -0.06 -0.01 0.33 0.00 0.00 0.00 0.00 44.72 44.98 2k87 s GLY 60 CO 0.69 0.38 1.98 -1.80 0.00 0.00 0.00 173.10 174.35 2k87 h ASP 61 N -1.09 0.00 -4.38 1.64 3.58 -1.52 -3.40 116.42 111.25 2k87 h ASP 61 Ca -0.46 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 56.59 2k87 h ASP 61 Cb 1.25 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 42.06 2k87 h ASP 61 CO 0.56 0.00 -0.78 -0.69 -2.88 0.00 0.00 179.24 175.45 2k87 s VAL 62 N -3.67 0.94 0.26 2.25 1.01 -0.20 -4.74 120.40 116.24 2k87 s VAL 62 Ca 0.01 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.08 2k87 s VAL 62 Cb 0.10 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2k87 s VAL 62 CO 0.48 -0.08 0.21 -0.69 0.00 0.00 0.00 175.10 175.01 2k87 s VAL 63 N -0.93 4.39 -0.08 2.92 1.01 -0.95 -1.88 120.40 124.88 2k87 s VAL 63 Ca -0.01 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 60.61 2k87 s VAL 63 Cb -0.08 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2k87 s VAL 63 CO 0.01 -0.34 -0.18 0.00 0.00 0.00 0.00 175.10 174.59 2k87 s ALA 64 N -2.15 1.73 0.08 5.51 0.00 0.51 -1.25 121.76 126.19 2k87 s ALA 64 Ca 0.34 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.68 2k87 s ALA 64 Cb -0.08 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2k87 s ALA 64 CO 0.25 0.21 -0.22 0.42 0.00 0.00 0.00 175.76 176.42 2k87 s ILE 65 N 0.47 2.52 0.24 0.00 -1.09 0.17 -2.58 121.20 120.93 2k87 s ILE 65 Ca -0.16 -1.46 -0.30 0.00 -2.23 0.00 0.00 60.65 56.50 2k87 s ILE 65 Cb -0.17 -2.08 -0.09 0.00 -1.58 0.00 0.00 42.46 38.54 2k87 s ILE 65 CO 0.06 0.22 1.19 -0.62 -1.23 0.00 0.00 174.94 174.57 2k87 s ASP 66 N -1.73 7.08 0.50 3.58 -1.08 -1.26 -2.45 116.67 121.31 2k87 s ASP 66 Ca 0.15 2.33 0.17 0.00 -0.52 0.00 0.00 52.55 54.67 2k87 s ASP 66 Cb -0.10 -2.62 0.94 0.00 -1.46 0.00 0.00 42.92 39.68 2k87 s ASP 66 CO 0.06 -0.33 1.47 0.22 0.52 0.00 0.00 175.17 177.10 2k87 h TYR 67 N 4.53 0.00 0.00 -5.34 5.03 -1.91 -2.16 116.97 117.12 2k87 h TYR 67 Ca -0.46 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.85 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 0.60 0.00 0.00 0.54 -1.32 0.00 0.00 178.16 177.98 2k87 n ARG 68 N -2.41 0.56 -0.04 1.82 1.74 -1.26 -0.75 116.66 116.33 2k87 n ARG 68 Ca -0.01 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.09 2k87 n ARG 68 Cb 0.45 -1.45 0.05 0.00 -1.02 0.00 0.00 32.46 30.49 2k87 n ARG 68 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2k87 n HIS 69 N -0.95 0.11 -1.02 -1.55 8.25 -0.81 -4.89 115.22 114.36 2k87 n HIS 69 Ca 0.12 -0.28 -0.33 0.00 -0.26 0.00 0.00 57.72 56.97 2k87 n HIS 69 Cb 0.06 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 2k87 n HIS 69 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2k87 n TYR 70 N 0.09 1.82 -1.43 4.41 9.36 0.07 -4.92 117.16 126.56 2k87 n TYR 70 Ca 0.04 -2.10 -0.30 0.00 3.32 0.00 0.00 57.90 58.86 2k87 n TYR 70 Cb 0.24 -1.83 0.09 0.00 -0.63 0.00 0.00 39.34 37.20 2k87 n TYR 70 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2k87 s SER 71 N 3.83 4.58 0.00 2.98 0.15 -1.26 -4.95 113.70 119.04 2k87 s SER 71 Ca 0.49 1.54 0.15 0.00 0.70 0.00 0.00 55.95 58.83 2k87 s SER 71 Cb 0.13 -2.30 0.65 0.00 -1.71 0.00 0.00 66.02 62.79 2k87 s SER 71 CO 0.01 -1.95 1.45 0.00 1.20 0.00 0.00 173.24 173.96 2k87 n ALA 72 N -3.44 1.71 -0.02 5.45 0.00 -1.26 -1.40 120.51 121.54 2k87 n ALA 72 Ca 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 2k87 n ALA 72 Cb 0.55 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 2k87 n ALA 72 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k87 h SER 73 N 0.00 -0.33 -0.06 0.00 0.02 -1.96 -3.14 113.55 108.08 2k87 h SER 73 Ca 0.00 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2k87 h SER 73 Cb 0.22 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2k87 h SER 73 CO 0.00 -0.14 0.02 0.49 -1.14 0.00 0.00 176.83 176.06 2k87 n PHE 74 N -5.25 0.19 0.21 3.45 3.72 -0.50 -4.31 117.46 114.97 2k87 n PHE 74 Ca -0.03 -0.27 0.16 0.00 -0.05 0.00 0.00 57.45 57.26 2k87 n PHE 74 Cb 0.17 -0.20 0.80 0.00 -0.94 0.00 0.00 39.48 39.32 2k87 n PHE 74 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2k87 h LYS 75 N 0.22 0.00 -0.06 -1.08 1.63 -1.65 -2.57 116.57 113.06 2k87 h LYS 75 Ca 0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2k87 h LYS 75 Cb 0.82 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 2k87 h LYS 75 CO 0.06 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.69 2k87 n LYS 76 N -3.98 2.25 0.00 1.90 5.02 -1.26 -4.92 118.16 117.17 2k87 n LYS 76 Ca 0.01 -2.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.14 2k87 n LYS 76 Cb 0.27 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.81 1.01 3.78 0.72 0.00 -0.97 -4.24 105.19 104.69 2k87 n GLY 77 Ca 0.10 -2.18 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.28 -0.86 0.20 4.61 0.00 -1.26 -2.27 121.76 120.90 2k87 s ALA 78 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 2k87 s ALA 78 Cb 0.00 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 2k87 s ALA 78 CO 0.00 -0.98 0.23 -1.59 0.00 0.00 0.00 175.76 173.42 2k87 s LYS 79 N -3.63 1.24 0.00 0.00 -2.85 0.24 -3.64 119.74 111.11 2k87 s LYS 79 Ca 0.15 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 2k87 s LYS 79 Cb -0.05 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 2k87 s LYS 79 CO 0.09 -0.44 0.00 -0.11 0.10 0.00 0.00 175.35 174.99 2k87 n LEU 80 N -0.26 0.00 -0.35 2.77 7.94 0.79 -0.90 117.00 126.99 2k87 n LEU 80 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2k87 n LEU 80 Cb 0.64 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.65 2k87 n LEU 80 CO 0.29 0.00 0.55 -0.11 -1.11 0.00 0.00 177.39 177.01 2k87 n LEU 81 N 0.00 -0.55 0.00 -1.96 7.94 -1.23 -3.96 117.00 117.25 2k87 n LEU 81 Ca 0.00 1.60 0.00 0.00 -1.11 0.00 0.00 56.01 56.50 2k87 n LEU 81 Cb 0.00 -0.39 0.00 0.00 0.53 0.00 0.00 43.42 43.56 2k87 n LEU 81 CO 0.00 -1.45 -0.02 0.00 -1.11 0.00 0.00 177.39 174.81 2k87 n HIS 82 N -5.38 0.00 -3.57 1.96 1.44 -1.26 -5.12 115.22 103.28 2k87 n HIS 82 Ca 0.10 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.57 2k87 n HIS 82 Cb 0.39 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.48 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 -0.17 3.49 0.74 -1.40 1.02 -1.25 -5.09 119.74 117.07 2k87 s LYS 83 Ca 0.00 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.47 2k87 s LYS 83 Cb 0.00 -2.75 0.04 0.00 -0.52 0.00 0.00 37.83 34.60 2k87 s LYS 83 CO 0.00 0.27 1.11 -1.25 -0.92 0.00 0.00 175.35 174.55 2k87 s PRO 84 N -3.99 2.47 0.17 -1.68 0.04 -1.26 -0.15 135.00 130.60 2k87 s PRO 84 Ca 0.39 0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.68 2k87 s PRO 84 Cb -0.10 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2k87 s PRO 84 CO 0.33 -1.24 -0.04 0.96 0.04 0.00 0.00 177.00 177.05 2k87 s ILE 85 N -3.40 0.90 0.19 0.56 -5.25 -1.24 -2.24 121.20 110.72 2k87 s ILE 85 Ca 0.59 -2.01 0.05 0.00 -0.99 0.00 0.00 60.65 58.29 2k87 s ILE 85 Cb -0.11 -2.02 -0.05 0.00 2.95 0.00 0.00 42.46 43.23 2k87 s ILE 85 CO 0.50 -0.58 -0.07 0.68 -1.79 0.00 0.00 174.94 173.67 2k87 s VAL 86 N -3.50 1.26 -0.18 8.37 -7.23 -0.38 -4.77 120.40 113.96 2k87 s VAL 86 Ca 0.21 -2.08 -0.19 0.00 -1.81 0.00 0.00 61.98 58.11 2k87 s VAL 86 Cb 0.05 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2k87 s VAL 86 CO 0.03 -0.55 0.53 0.26 -0.31 0.00 0.00 175.10 175.05 2k87 s TRP 87 N -3.27 3.41 0.11 2.82 0.52 -1.26 -0.66 118.94 120.61 2k87 s TRP 87 Ca 0.22 0.83 0.09 0.00 0.02 0.00 0.00 56.10 57.26 2k87 s TRP 87 Cb 0.03 -2.66 -0.04 0.00 -1.15 0.00 0.00 33.47 29.65 2k87 s TRP 87 CO 0.05 -0.05 -0.17 -3.38 0.02 0.00 0.00 176.95 173.42 2k87 s HIS 88 N 1.43 2.55 -0.20 -1.98 -3.43 -1.02 -4.89 115.29 107.75 2k87 s HIS 88 Ca 0.25 -0.25 0.01 0.00 -0.80 0.00 0.00 55.06 54.27 2k87 s HIS 88 Cb -0.15 -1.36 0.04 0.00 -1.43 0.00 0.00 32.58 29.68 2k87 s HIS 88 CO 0.10 0.38 -0.10 0.42 -2.00 0.00 0.00 174.74 173.54 2k87 s ILE 89 N -1.13 1.61 -1.88 -5.38 1.01 -0.62 -3.14 121.20 111.65 2k87 s ILE 89 Ca 0.18 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.85 2k87 s ILE 89 Cb -0.11 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.68 2k87 s ILE 89 CO 0.10 0.17 0.00 -0.46 0.00 0.00 0.00 174.94 174.75 2k87 n ASN 90 N 4.70 -5.36 -0.12 3.58 2.04 -1.26 -0.23 115.26 118.61 2k87 n ASN 90 Ca -0.14 0.26 -0.02 0.00 -0.44 0.00 0.00 54.58 54.24 2k87 n ASN 90 Cb 0.47 -4.62 -0.01 0.00 -2.53 0.00 0.00 39.78 33.09 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 -2.62 -0.30 -4.64 -3.83 6.02 -1.26 -5.05 117.38 105.69 2k87 n GLN 91 Ca -0.21 0.31 -0.29 0.00 -0.01 0.00 0.00 57.00 56.80 2k87 n GLN 91 Cb 0.66 -3.74 -0.10 0.00 1.02 0.00 0.00 30.24 28.08 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 -1.96 3.38 0.23 -1.58 0.00 0.68 -4.45 121.76 118.07 2k87 s ALA 92 Ca 0.00 -1.58 0.11 0.00 0.00 0.00 0.00 51.96 50.49 2k87 s ALA 92 Cb 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 2k87 s ALA 92 CO 0.00 -0.12 -0.17 -0.08 0.00 0.00 0.00 175.76 175.39 2k87 s THR 93 N -2.86 2.68 0.28 0.00 -1.32 -1.26 -1.60 115.64 111.57 2k87 s THR 93 Ca 0.25 -2.08 0.02 0.00 -1.21 0.00 0.00 61.69 58.67 2k87 s THR 93 Cb 0.07 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 68.66 2k87 s THR 93 CO 0.13 -0.25 0.15 0.42 -2.21 0.00 0.00 174.62 172.86 2k87 s THR 94 N -2.05 0.30 0.26 5.08 -4.23 -1.26 -5.00 115.64 108.75 2k87 s THR 94 Ca 0.26 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.72 2k87 s THR 94 Cb -0.07 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.50 2k87 s THR 94 CO 0.14 0.00 1.93 0.11 -0.54 0.00 0.00 174.62 176.25 2k87 h LYS 95 N 2.30 1.25 0.00 3.99 1.57 -2.01 0.36 116.57 124.03 2k87 h LYS 95 Ca -0.34 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.27 2k87 h LYS 95 Cb 1.25 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2k87 h LYS 95 CO 0.53 0.83 -0.46 1.15 -0.57 0.00 0.00 179.45 180.93 2k87 h THR 96 N 1.29 1.02 0.00 -0.16 2.02 -2.02 -2.75 112.91 112.31 2k87 h THR 96 Ca 0.37 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.77 2k87 h THR 96 Cb -0.08 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2k87 h THR 96 CO -0.10 0.45 -0.75 0.35 0.37 0.00 0.00 175.52 175.84 2k87 n THR 97 N -3.54 0.24 0.44 3.16 -2.24 -1.07 -4.29 114.28 106.98 2k87 n THR 97 Ca -0.00 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 2k87 n THR 97 Cb 0.57 0.04 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.04 -0.52 4.78 3.57 -0.62 -1.72 116.94 121.40 2k87 h PHE 98 Ca 0.00 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.53 2k87 h PHE 98 Cb 0.71 0.34 -0.08 0.00 2.79 0.00 0.00 35.95 39.71 2k87 h PHE 98 CO 0.00 -0.65 -0.52 0.87 -2.23 0.00 0.00 178.31 175.78 2k87 h LYS 99 N -1.23 -0.26 -0.65 1.11 1.79 -1.73 -0.21 116.57 115.38 2k87 h LYS 99 Ca -0.11 0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.31 2k87 h LYS 99 Cb 0.86 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 2k87 h LYS 99 CO 0.19 -0.17 0.14 -1.00 -1.08 0.00 0.00 179.45 177.53 2k87 h PRO 100 N -0.27 1.05 0.00 3.15 0.13 -1.75 -2.63 132.00 131.68 2k87 h PRO 100 Ca 0.09 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 2k87 h PRO 100 Cb 0.50 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 2k87 h PRO 100 CO -0.63 0.94 -0.06 -0.91 -0.23 0.00 0.00 178.00 177.11 2k87 h ASN 101 N 0.99 0.00 -0.98 1.44 2.35 -0.21 0.38 115.58 119.55 2k87 h ASN 101 Ca 0.21 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 56.02 2k87 h ASN 101 Cb 0.37 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.68 2k87 h ASN 101 CO 0.00 0.06 0.64 0.71 -1.65 0.00 0.00 177.43 177.19 2k87 h THR 102 N 0.00 1.08 0.00 2.81 1.35 -0.70 -0.88 112.91 116.57 2k87 h THR 102 Ca -0.00 -0.39 -0.04 0.00 -0.55 0.00 0.00 66.41 65.43 2k87 h THR 102 Cb 0.36 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.61 2k87 h THR 102 CO 0.01 0.21 -0.17 -0.50 -0.25 0.00 0.00 175.52 174.82 2k87 h TRP 103 N 1.14 0.00 0.50 4.73 4.06 -1.03 -1.29 115.95 124.07 2k87 h TRP 103 Ca 0.42 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.35 2k87 h TRP 103 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 2k87 h TRP 103 CO -0.00 0.17 -0.24 0.00 -3.56 0.00 0.00 178.44 174.80 2k87 h LEU 105 N -0.69 0.88 -2.57 0.00 3.38 -0.15 0.25 115.31 116.41 2k87 h LEU 105 Ca -0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2k87 h LEU 105 Cb 0.53 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k87 h LEU 105 CO 0.11 0.52 -0.02 0.03 0.09 0.00 0.00 178.44 179.17 2k87 h ARG 106 N 0.99 0.00 -0.14 1.13 3.08 -1.33 -2.01 114.38 116.09 2k87 h ARG 106 Ca 0.44 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.30 2k87 h ARG 106 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2k87 h ARG 106 CO -0.22 0.02 -0.67 0.00 -1.07 0.00 0.00 179.97 178.02 2k87 h LEU 108 N 0.41 0.55 -8.81 0.00 -0.00 -1.35 -3.46 115.31 102.65 2k87 h LEU 108 Ca -0.02 -0.27 -0.68 0.00 -0.00 0.00 0.00 57.88 56.91 2k87 h LEU 108 Cb 1.25 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 41.75 2k87 h LEU 108 CO 0.13 0.96 1.24 0.79 -0.00 0.00 0.00 178.44 181.55 2k87 n TRP 109 N -3.98 1.84 -1.97 1.13 7.02 -1.20 -4.94 117.44 115.34 2k87 n TRP 109 Ca -0.02 0.29 -0.30 0.00 -1.02 0.00 0.00 57.50 56.45 2k87 n TRP 109 Cb 0.57 -2.54 0.03 0.00 -2.42 0.00 0.00 31.31 26.95 2k87 n TRP 109 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2k87 s SER 110 N 5.83 5.81 0.59 -0.99 0.01 -0.99 -4.34 113.70 119.62 2k87 s SER 110 Ca 1.04 1.19 -0.03 0.00 1.31 0.00 0.00 55.95 59.46 2k87 s SER 110 Cb -0.89 -2.14 0.03 0.00 0.21 0.00 0.00 66.02 63.23 2k87 s SER 110 CO 0.54 -1.09 0.87 0.42 0.41 0.00 0.00 173.24 174.39 2k87 s THR 111 N -3.22 3.07 0.20 1.44 -4.23 -1.26 -1.19 115.64 110.45 2k87 s THR 111 Ca 0.56 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 2k87 s THR 111 Cb -0.11 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2k87 s THR 111 CO 0.52 -0.20 0.00 1.17 -0.54 0.00 0.00 174.62 175.57 2k87 n LYS 112 N -2.55 -5.27 -1.97 3.99 0.00 -1.26 -4.93 118.16 106.18 2k87 n LYS 112 Ca 0.06 3.71 -0.42 0.00 0.00 0.00 0.00 58.31 61.67 2k87 n LYS 112 Cb 0.59 -4.06 -0.02 0.00 0.00 0.00 0.00 35.03 31.53 2k87 n LYS 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2k87 s PRO 113 N -0.53 4.24 -0.50 1.64 0.04 -1.26 -4.95 135.00 133.68 2k87 s PRO 113 Ca 0.00 2.35 0.07 0.00 0.04 0.00 0.00 61.00 63.46 2k87 s PRO 113 Cb 0.00 -3.11 0.27 0.00 0.04 0.00 0.00 34.50 31.70 2k87 s PRO 113 CO 0.00 -0.49 0.66 0.28 0.04 0.00 0.00 177.00 177.50 2k87 n VAL 114 N 2.65 0.81 -0.05 -0.36 0.31 -1.26 -4.76 118.33 115.68 2k87 n VAL 114 Ca 0.08 -4.65 0.00 0.00 -0.01 0.00 0.00 64.34 59.76 2k87 n VAL 114 Cb 0.40 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 2k87 n VAL 114 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2k87 n ASP 115 N 0.94 0.05 0.00 4.52 8.00 -1.26 -4.76 116.55 124.03 2k87 n ASP 115 Ca 0.26 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2k87 n ASP 115 Cb 0.49 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22