#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu6 s SER 2 N 0.00 6.26 -0.10 1.61 0.01 -1.26 -4.97 113.70 115.26 2yu6 s SER 2 Ca 0.00 1.14 -0.14 0.00 1.31 0.00 0.00 55.95 58.25 2yu6 s SER 2 Cb 0.00 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.73 2yu6 s SER 2 CO 0.00 -1.44 0.36 -0.44 0.41 0.00 0.00 173.24 172.13 2yu6 s SER 3 N 4.44 -0.33 0.00 2.44 0.01 -1.26 -5.08 113.70 113.92 2yu6 s SER 3 Ca 0.68 0.53 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2yu6 s SER 3 Cb -0.18 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.66 2yu6 s SER 3 CO 0.31 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2yu6 n GLY 4 N 2.29 1.28 3.87 3.44 0.00 -1.26 -5.15 105.19 109.66 2yu6 n GLY 4 Ca -0.16 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 2yu6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu6 s SER 5 N 0.00 6.11 -0.18 1.61 0.01 -1.26 -5.10 113.70 114.89 2yu6 s SER 5 Ca 0.00 0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.43 2yu6 s SER 5 Cb 0.00 -1.83 0.06 0.00 0.21 0.00 0.00 66.02 64.46 2yu6 s SER 5 CO 0.00 0.20 0.06 -0.44 0.41 0.00 0.00 173.24 173.47 2yu6 s SER 6 N -2.30 2.60 0.40 2.44 0.01 -1.26 -5.10 113.70 110.48 2yu6 s SER 6 Ca 0.31 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.91 2yu6 s SER 6 Cb -0.13 -0.43 -0.01 0.00 0.21 0.00 0.00 66.02 65.66 2yu6 s SER 6 CO 0.23 -0.32 0.12 0.61 0.41 0.00 0.00 173.24 174.29 2yu6 n GLY 7 N 5.15 3.33 3.78 3.44 0.00 -1.26 -4.69 105.19 114.95 2yu6 n GLY 7 Ca -0.08 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.43 2yu6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yu6 s VAL 8 N -2.95 4.08 0.25 1.61 0.11 -1.26 -3.44 120.40 118.80 2yu6 s VAL 8 Ca 0.17 1.73 0.06 0.00 -2.93 0.00 0.00 61.98 61.00 2yu6 s VAL 8 Cb 0.01 -3.96 -0.03 0.00 -1.53 0.00 0.00 36.38 30.87 2yu6 s VAL 8 CO 0.12 0.14 0.30 -0.60 -3.33 0.00 0.00 175.10 171.73 2yu6 s ARG 9 N -2.08 3.24 0.02 1.54 3.52 -0.72 -4.88 118.95 119.59 2yu6 s ARG 9 Ca 0.51 -0.87 0.08 0.00 -0.13 0.00 0.00 55.73 55.31 2yu6 s ARG 9 Cb -0.20 -2.77 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 2yu6 s ARG 9 CO 0.25 0.41 -0.23 0.71 -0.81 0.00 0.00 175.30 175.63 2yu6 s TYR 10 N -2.04 2.07 -0.15 5.12 1.51 -1.25 0.02 117.35 122.62 2yu6 s TYR 10 Ca 0.34 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.93 2yu6 s TYR 10 Cb -0.09 -1.27 0.06 0.00 -0.11 0.00 0.00 41.96 40.55 2yu6 s TYR 10 CO 0.28 0.05 0.34 -0.06 -1.11 0.00 0.00 175.55 175.05 2yu6 s PHE 11 N -0.70 -0.52 0.04 2.71 0.08 -0.64 -1.34 117.98 117.62 2yu6 s PHE 11 Ca 0.09 1.12 -0.27 0.00 0.12 0.00 0.00 56.93 58.00 2yu6 s PHE 11 Cb -0.09 0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.48 2yu6 s PHE 11 CO 0.01 -0.32 0.84 0.42 -0.10 0.00 0.00 175.22 176.06 2yu6 s ILE 12 N 1.56 4.73 -0.23 0.64 -1.09 0.13 -1.29 121.20 125.65 2yu6 s ILE 12 Ca -0.08 1.78 0.02 0.00 -2.23 0.00 0.00 60.65 60.14 2yu6 s ILE 12 Cb -0.10 -4.19 0.06 0.00 -1.58 0.00 0.00 42.46 36.65 2yu6 s ILE 12 CO -0.11 0.31 -0.09 -0.04 -1.23 0.00 0.00 174.94 173.78 2yu6 s MET 13 N 0.20 1.95 0.02 2.79 -1.94 0.49 -2.20 119.30 120.63 2yu6 s MET 13 Ca 0.42 -1.08 -0.10 0.00 -1.71 0.00 0.00 55.69 53.23 2yu6 s MET 13 Cb -0.21 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 2yu6 s MET 13 CO 0.25 -0.54 0.34 0.15 -0.01 0.00 0.00 175.02 175.21 2yu6 s LYS 14 N 1.29 3.72 -0.08 2.03 -0.14 -1.26 -0.21 119.74 125.10 2yu6 s LYS 14 Ca -0.06 0.14 0.01 0.00 -1.36 0.00 0.00 55.97 54.71 2yu6 s LYS 14 Cb -0.19 -3.09 0.02 0.00 -1.68 0.00 0.00 37.83 32.89 2yu6 s LYS 14 CO -0.06 0.64 -0.09 0.45 -0.76 0.00 0.00 175.35 175.52 2yu6 s SER 15 N -1.51 1.82 0.09 2.83 0.15 0.98 -4.80 113.70 113.27 2yu6 s SER 15 Ca 0.28 -0.28 -0.34 0.00 0.70 0.00 0.00 55.95 56.31 2yu6 s SER 15 Cb -0.14 -0.78 -0.15 0.00 -1.71 0.00 0.00 66.02 63.24 2yu6 s SER 15 CO 0.15 -0.03 1.53 0.28 1.20 0.00 0.00 173.24 176.37 2yu6 h SER 16 N 7.44 -1.47 -2.48 5.45 0.02 -1.97 -2.57 113.55 117.98 2yu6 h SER 16 Ca -0.31 0.14 -0.57 0.00 -0.84 0.00 0.00 61.79 60.21 2yu6 h SER 16 Cb 1.16 0.53 -0.09 0.00 0.14 0.00 0.00 62.40 64.13 2yu6 h SER 16 CO 0.45 -0.58 -0.63 0.21 -1.14 0.00 0.00 176.83 175.14 2yu6 s ASN 17 N -4.46 4.77 0.05 3.07 3.84 -1.26 -4.39 114.94 116.57 2yu6 s ASN 17 Ca -0.16 -0.49 -0.20 0.00 0.21 0.00 0.00 52.86 52.22 2yu6 s ASN 17 Cb 0.05 -0.99 -0.12 0.00 -0.55 0.00 0.00 41.25 39.63 2yu6 s ASN 17 CO 0.58 0.03 1.42 0.25 -2.79 0.00 0.00 177.10 176.59 2yu6 h LEU 18 N 2.16 0.35 -0.98 3.21 7.12 -1.99 -3.27 115.31 121.92 2yu6 h LEU 18 Ca -0.46 -0.40 0.09 0.00 0.13 0.00 0.00 57.88 57.24 2yu6 h LEU 18 Cb 1.23 -0.10 -0.12 0.00 -0.53 0.00 0.00 40.66 41.14 2yu6 h LEU 18 CO 0.59 0.67 -0.58 -1.14 -0.13 0.00 0.00 178.44 177.86 2yu6 n ARG 19 N -4.63 -0.43 -0.32 1.25 3.00 -1.26 0.91 116.66 115.18 2yu6 n ARG 19 Ca -0.05 1.47 0.32 0.00 -0.00 0.00 0.00 57.85 59.59 2yu6 n ARG 19 Cb 0.29 -2.17 0.58 0.00 0.00 0.00 0.00 32.46 31.17 2yu6 n ARG 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2yu6 n ASN 20 N -5.22 0.33 -0.14 6.15 3.02 -1.23 0.22 115.26 118.39 2yu6 n ASN 20 Ca 0.02 1.60 -0.09 0.00 -0.03 0.00 0.00 54.58 56.07 2yu6 n ASN 20 Cb 0.25 -0.78 0.04 0.00 -0.61 0.00 0.00 39.78 38.69 2yu6 n ASN 20 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2yu6 h LEU 21 N 0.00 0.93 -0.91 3.41 5.85 0.39 -3.03 115.31 121.96 2yu6 h LEU 21 Ca 0.83 -0.33 0.22 0.00 0.84 0.00 0.00 57.88 59.43 2yu6 h LEU 21 Cb 2.22 -0.26 -0.12 0.00 0.37 0.00 0.00 40.66 42.88 2yu6 h LEU 21 CO -0.73 1.10 0.43 -0.33 -0.34 0.00 0.00 178.44 178.57 2yu6 h GLU 22 N 0.80 0.45 -0.95 1.25 5.08 0.31 0.31 114.58 121.83 2yu6 h GLU 22 Ca 0.11 -0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.66 2yu6 h GLU 22 Cb 0.74 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 2yu6 h GLU 22 CO 0.06 0.30 0.62 0.82 -1.00 0.00 0.00 179.01 179.80 2yu6 h ILE 23 N 0.46 0.66 0.00 3.13 5.03 -1.40 0.78 117.51 126.17 2yu6 h ILE 23 Ca 0.56 -0.16 0.00 0.00 -0.12 0.00 0.00 64.86 65.15 2yu6 h ILE 23 Cb 1.04 0.16 0.00 0.00 -3.03 0.00 0.00 36.82 34.99 2yu6 h ILE 23 CO -0.50 0.08 0.00 -1.28 -0.68 0.00 0.00 178.15 175.77 2yu6 h SER 24 N 0.45 0.00 0.55 1.72 0.87 -0.37 0.14 113.55 116.91 2yu6 h SER 24 Ca 0.51 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.78 2yu6 h SER 24 Cb 1.20 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.12 2yu6 h SER 24 CO -0.22 0.00 -1.60 1.56 -0.53 0.00 0.00 176.83 176.04 2yu6 h GLN 25 N 0.00 0.03 0.00 2.24 4.20 0.76 -3.09 115.11 119.25 2yu6 h GLN 25 Ca 0.00 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 2yu6 h GLN 25 Cb 0.79 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 2yu6 h GLN 25 CO 0.00 0.64 -1.28 1.04 -0.67 0.00 0.00 178.83 178.56 2yu6 n GLN 26 N -3.14 0.54 0.10 1.46 1.13 0.03 -4.55 117.38 112.95 2yu6 n GLN 26 Ca -0.15 0.24 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 2yu6 n GLN 26 Cb 1.03 -1.46 0.30 0.00 0.11 0.00 0.00 30.24 30.23 2yu6 n GLN 26 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2yu6 h LYS 27 N -1.00 0.24 -0.60 -1.09 1.79 -0.93 -3.47 116.57 111.50 2yu6 h LYS 27 Ca -0.14 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 2yu6 h LYS 27 Cb 1.10 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2yu6 h LYS 27 CO -0.08 0.50 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 2yu6 n GLY 28 N -0.51 0.77 3.35 3.86 0.00 -1.10 -5.00 105.19 106.57 2yu6 n GLY 28 Ca -0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 2yu6 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yu6 s ILE 29 N -2.60 0.03 -0.11 -0.61 -5.25 -1.25 -2.62 121.20 108.79 2yu6 s ILE 29 Ca 0.00 -1.62 -0.06 0.00 -0.99 0.00 0.00 60.65 57.98 2yu6 s ILE 29 Cb 0.00 -2.16 0.05 0.00 2.95 0.00 0.00 42.46 43.30 2yu6 s ILE 29 CO 0.00 -0.14 0.27 0.86 -1.79 0.00 0.00 174.94 174.14 2yu6 s TRP 30 N -4.05 -0.37 -0.29 1.37 -0.11 0.40 -3.26 118.94 112.63 2yu6 s TRP 30 Ca 0.26 0.85 -0.04 0.00 1.22 0.00 0.00 56.10 58.39 2yu6 s TRP 30 Cb 0.04 0.08 0.03 0.00 -1.50 0.00 0.00 33.47 32.12 2yu6 s TRP 30 CO 0.06 -0.25 0.03 0.45 -4.62 0.00 0.00 176.95 172.63 2yu6 s SER 31 N 1.24 4.89 0.43 5.86 0.15 -1.26 -2.93 113.70 122.08 2yu6 s SER 31 Ca -0.09 -0.99 0.07 0.00 0.70 0.00 0.00 55.95 55.64 2yu6 s SER 31 Cb -0.10 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 2yu6 s SER 31 CO -0.09 -0.22 0.28 0.28 1.20 0.00 0.00 173.24 174.69 2yu6 s THR 32 N 1.37 2.35 0.40 6.45 -1.32 -1.26 -5.04 115.64 118.59 2yu6 s THR 32 Ca -0.01 -1.55 -0.27 0.00 -1.21 0.00 0.00 61.69 58.66 2yu6 s THR 32 Cb -0.18 -2.90 -0.10 0.00 -1.51 0.00 0.00 72.50 67.81 2yu6 s THR 32 CO -0.00 0.00 1.38 1.07 -2.21 0.00 0.00 174.62 174.86 2yu6 n THR 33 N -1.41 2.33 0.96 5.08 5.66 -1.26 -4.54 114.28 121.10 2yu6 n THR 33 Ca 0.00 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.58 2yu6 n THR 33 Cb 0.64 -1.76 0.46 0.00 -1.55 0.00 0.00 70.33 68.11 2yu6 n THR 33 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2yu6 n PRO 34 N 0.21 0.48 0.03 1.09 -0.04 -1.26 -2.05 135.00 133.45 2yu6 n PRO 34 Ca 0.04 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2yu6 n PRO 34 Cb 0.39 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.47 2yu6 n PRO 34 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yu6 n SER 35 N -1.01 0.63 -0.75 3.54 2.88 -1.26 -4.06 113.62 113.58 2yu6 n SER 35 Ca 0.11 -0.16 0.05 0.00 -1.33 0.00 0.00 58.87 57.55 2yu6 n SER 35 Cb 0.06 0.48 0.12 0.00 -0.75 0.00 0.00 64.21 64.11 2yu6 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2yu6 n ASN 36 N -1.87 1.41 0.02 -3.46 3.02 -0.87 -4.73 115.26 108.78 2yu6 n ASN 36 Ca 0.03 -2.98 -0.02 0.00 -0.03 0.00 0.00 54.58 51.58 2yu6 n ASN 36 Cb 0.41 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 2yu6 n ASN 36 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2yu6 h GLU 37 N 0.70 0.00 -0.96 3.52 5.08 -1.70 -3.35 114.58 117.87 2yu6 h GLU 37 Ca -0.07 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2yu6 h GLU 37 Cb 1.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 2yu6 h GLU 37 CO 0.03 0.36 0.62 0.07 -1.00 0.00 0.00 179.01 179.09 2yu6 h ARG 38 N 0.00 1.10 0.68 2.33 0.11 -1.85 0.28 114.38 117.04 2yu6 h ARG 38 Ca -0.19 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 59.79 2yu6 h ARG 38 Cb 1.70 -0.25 0.01 0.00 1.11 0.00 0.00 29.97 32.54 2yu6 h ARG 38 CO 0.06 0.73 -0.33 1.57 0.10 0.00 0.00 179.97 182.10 2yu6 h LYS 39 N 1.13 -0.88 -0.47 0.08 2.10 -1.93 0.11 116.57 116.72 2yu6 h LYS 39 Ca 0.41 0.06 0.07 0.00 -2.00 0.00 0.00 60.65 59.19 2yu6 h LYS 39 Cb 0.15 0.20 -0.06 0.00 -0.90 0.00 0.00 32.23 31.62 2yu6 h LYS 39 CO -0.17 -0.58 0.13 -0.07 -2.00 0.00 0.00 179.45 176.76 2yu6 h LEU 40 N -1.24 0.08 0.45 7.07 3.38 -1.66 0.80 115.31 124.19 2yu6 h LEU 40 Ca -0.09 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2yu6 h LEU 40 Cb 0.70 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2yu6 h LEU 40 CO 0.15 0.08 -0.21 -1.13 0.09 0.00 0.00 178.44 177.41 2yu6 h ASN 41 N 0.28 -0.51 0.49 -0.43 -0.73 -0.48 -2.23 115.58 111.98 2yu6 h ASN 41 Ca 0.23 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.40 2yu6 h ASN 41 Cb 0.27 0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 2yu6 h ASN 41 CO -0.27 -0.33 -0.50 -0.09 -0.37 0.00 0.00 177.43 175.87 2yu6 h ARG 42 N -0.66 -0.96 -0.96 6.67 9.65 -0.69 -2.74 114.38 124.68 2yu6 h ARG 42 Ca -0.06 0.07 0.17 0.00 -1.10 0.00 0.00 59.98 59.05 2yu6 h ARG 42 Cb 0.46 0.22 -0.17 0.00 -1.39 0.00 0.00 29.97 29.09 2yu6 h ARG 42 CO 0.10 -0.64 -0.32 0.00 2.80 0.00 0.00 179.97 181.91 2yu6 n ALA 43 N -2.81 0.02 -0.32 2.80 0.00 0.28 0.58 120.51 121.06 2yu6 n ALA 43 Ca -0.12 1.00 0.13 0.00 0.00 0.00 0.00 53.44 54.44 2yu6 n ALA 43 Cb 0.46 -0.51 0.26 0.00 0.00 0.00 0.00 19.45 19.67 2yu6 n ALA 43 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2yu6 h PHE 44 N 0.00 0.00 0.00 0.00 3.57 -1.08 1.13 116.94 120.57 2yu6 h PHE 44 Ca 0.38 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 2yu6 h PHE 44 Cb 0.62 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2yu6 h PHE 44 CO -0.80 -0.37 -0.18 -1.49 -2.23 0.00 0.00 178.31 173.25 2yu6 h TRP 45 N 0.05 0.00 0.00 0.41 6.55 0.13 -3.30 115.95 119.80 2yu6 h TRP 45 Ca 0.56 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.40 2yu6 h TRP 45 Cb 1.12 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.42 2yu6 h TRP 45 CO -0.45 0.61 0.25 0.93 -1.05 0.00 0.00 178.44 178.73 2yu6 h GLU 46 N -1.00 0.00 -5.15 0.49 5.08 0.21 -3.41 114.58 110.79 2yu6 h GLU 46 Ca -0.04 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.86 2yu6 h GLU 46 Cb 0.64 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.75 2yu6 h GLU 46 CO -0.02 0.00 -0.60 -1.12 -1.00 0.00 0.00 179.01 176.27 2yu6 s SER 47 N -3.99 2.26 -0.05 1.42 0.01 0.38 -4.79 113.70 108.95 2yu6 s SER 47 Ca -0.03 -1.42 -0.23 0.00 1.31 0.00 0.00 55.95 55.58 2yu6 s SER 47 Cb 0.07 0.04 -0.27 0.00 0.21 0.00 0.00 66.02 66.07 2yu6 s SER 47 CO 0.21 -0.67 0.96 -1.28 0.41 0.00 0.00 173.24 172.87 2yu6 h SER 48 N 2.10 0.35 -4.81 2.44 0.87 -1.75 -3.43 113.55 109.33 2yu6 h SER 48 Ca -0.40 -0.87 -0.29 0.00 -1.23 0.00 0.00 61.79 59.01 2yu6 h SER 48 Cb 1.25 -0.11 -0.15 0.00 -0.44 0.00 0.00 62.40 62.95 2yu6 h SER 48 CO 0.67 1.18 -0.63 -0.63 -0.53 0.00 0.00 176.83 176.89 2yu6 s ILE 49 N -2.78 0.44 -0.31 2.23 1.01 -1.26 -4.98 121.20 115.54 2yu6 s ILE 49 Ca -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 60.65 58.50 2yu6 s ILE 49 Cb 0.01 -2.39 0.10 0.00 0.01 0.00 0.00 42.46 40.20 2yu6 s ILE 49 CO 0.79 -0.20 0.12 -0.69 0.00 0.00 0.00 174.94 174.96 2yu6 s VAL 50 N -3.83 0.56 -0.46 2.92 1.01 -1.26 -1.76 120.40 117.57 2yu6 s VAL 50 Ca 0.32 -1.27 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 2yu6 s VAL 50 Cb 0.07 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 35.05 2yu6 s VAL 50 CO 0.09 -0.72 1.05 -0.31 0.00 0.00 0.00 175.10 175.21 2yu6 s TYR 51 N 1.68 2.87 -0.31 5.22 2.02 0.10 -0.07 117.35 128.87 2yu6 s TYR 51 Ca 0.10 0.61 -0.07 0.00 -0.37 0.00 0.00 57.07 57.34 2yu6 s TYR 51 Cb -0.18 -4.21 0.01 0.00 -0.40 0.00 0.00 41.96 37.18 2yu6 s TYR 51 CO -0.26 -1.18 0.10 -0.51 -1.57 0.00 0.00 175.55 172.13 2yu6 s LEU 52 N 4.14 3.97 -0.53 -1.29 1.43 -0.20 -1.63 118.68 124.58 2yu6 s LEU 52 Ca 0.43 -0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 2yu6 s LEU 52 Cb -0.09 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.28 2yu6 s LEU 52 CO 0.29 -0.22 0.83 -0.69 0.23 0.00 0.00 176.35 176.79 2yu6 s VAL 53 N 1.50 4.56 0.14 -1.59 1.01 -0.41 -0.54 120.40 125.07 2yu6 s VAL 53 Ca 0.02 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 2yu6 s VAL 53 Cb -0.18 -4.44 -0.07 0.00 0.00 0.00 0.00 36.38 31.69 2yu6 s VAL 53 CO 0.03 -0.98 0.65 -0.36 0.00 0.00 0.00 175.10 174.44 2yu6 s PHE 54 N 3.49 3.75 0.03 5.22 0.08 0.29 -0.38 117.98 130.47 2yu6 s PHE 54 Ca 0.26 1.35 -0.20 0.00 0.12 0.00 0.00 56.93 58.46 2yu6 s PHE 54 Cb -0.14 -2.56 0.04 0.00 -0.57 0.00 0.00 43.02 39.78 2yu6 s PHE 54 CO 0.18 0.48 0.44 -1.12 -0.10 0.00 0.00 175.22 175.10 2yu6 s SER 55 N -1.36 -0.33 -0.23 1.36 0.01 0.71 -2.85 113.70 111.01 2yu6 s SER 55 Ca 0.36 0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.65 2yu6 s SER 55 Cb -0.19 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.44 2yu6 s SER 55 CO 0.21 -0.64 0.06 -0.69 0.41 0.00 0.00 173.24 172.59 2yu6 s VAL 56 N -2.20 4.35 0.40 3.43 1.01 -1.26 -0.01 120.40 126.12 2yu6 s VAL 56 Ca -0.07 -0.17 0.22 0.00 0.00 0.00 0.00 61.98 61.97 2yu6 s VAL 56 Cb -0.01 -3.01 0.41 0.00 0.00 0.00 0.00 36.38 33.77 2yu6 s VAL 56 CO -0.00 0.38 1.66 -0.61 0.00 0.00 0.00 175.10 176.53 2yu6 h GLN 57 N 7.79 0.20 0.00 2.72 4.15 -1.67 -3.16 115.11 125.14 2yu6 h GLN 57 Ca -0.37 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.04 2yu6 h GLN 57 Cb 1.18 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2yu6 h GLN 57 CO 0.60 0.14 0.00 0.41 -1.93 0.00 0.00 178.83 178.05 2yu6 n GLY 58 N -1.42 -1.47 2.35 2.39 0.00 -1.26 -4.83 105.19 100.95 2yu6 n GLY 58 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 2yu6 n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yu6 n SER 59 N 0.00 -2.82 -1.96 1.61 2.88 -1.20 -4.83 113.62 107.31 2yu6 n SER 59 Ca 0.00 0.45 -0.02 0.00 -1.33 0.00 0.00 58.87 57.97 2yu6 n SER 59 Cb 0.00 -0.61 0.33 0.00 -0.75 0.00 0.00 64.21 63.18 2yu6 n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu6 n GLY 60 N 1.89 3.37 3.43 0.46 0.00 -1.26 -4.77 105.19 108.31 2yu6 n GLY 60 Ca 0.05 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 2yu6 n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yu6 s HIS 61 N -2.85 1.82 -0.43 1.61 3.76 -1.26 -3.82 115.29 114.11 2yu6 s HIS 61 Ca 0.54 -1.08 -0.21 0.00 -0.15 0.00 0.00 55.06 54.15 2yu6 s HIS 61 Cb 0.42 -1.16 0.02 0.00 1.11 0.00 0.00 32.58 32.98 2yu6 s HIS 61 CO 0.14 -0.15 0.66 -0.06 -0.85 0.00 0.00 174.74 174.49 2yu6 s PHE 62 N -3.40 3.06 -0.13 1.40 0.08 -0.58 -4.53 117.98 113.88 2yu6 s PHE 62 Ca 0.34 0.02 0.14 0.00 0.12 0.00 0.00 56.93 57.55 2yu6 s PHE 62 Cb 0.07 -3.37 0.79 0.00 -0.57 0.00 0.00 43.02 39.94 2yu6 s PHE 62 CO 0.15 -0.86 1.37 1.04 -0.10 0.00 0.00 175.22 176.82 2yu6 n GLN 63 N 6.31 0.10 0.00 0.44 3.00 -1.18 -3.25 117.38 122.78 2yu6 n GLN 63 Ca -0.01 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 2yu6 n GLN 63 Cb 0.48 -2.00 0.00 0.00 0.00 0.00 0.00 30.24 28.72 2yu6 n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2yu6 n GLY 64 N -1.29 0.22 3.21 1.08 0.00 -1.13 -4.57 105.19 102.69 2yu6 n GLY 64 Ca -0.01 -2.31 -0.09 0.00 0.00 0.00 0.00 46.02 43.61 2yu6 n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yu6 s PHE 65 N 0.00 0.49 -0.12 1.61 -0.71 -1.26 -0.55 117.98 117.45 2yu6 s PHE 65 Ca 0.00 -0.91 -0.10 0.00 -1.04 0.00 0.00 56.93 54.88 2yu6 s PHE 65 Cb 0.00 -0.24 0.03 0.00 -1.21 0.00 0.00 43.02 41.61 2yu6 s PHE 65 CO 0.00 -0.56 0.31 -1.12 -1.34 0.00 0.00 175.22 172.51 2yu6 s SER 66 N -2.96 -0.32 -0.21 1.98 0.01 0.30 -3.33 113.70 109.16 2yu6 s SER 66 Ca 0.14 0.62 -0.23 0.00 1.31 0.00 0.00 55.95 57.80 2yu6 s SER 66 Cb 0.06 0.61 -0.02 0.00 0.21 0.00 0.00 66.02 66.88 2yu6 s SER 66 CO -0.04 -0.12 0.74 0.00 0.41 0.00 0.00 173.24 174.23 2yu6 s ARG 67 N 0.34 4.21 0.06 12.44 1.70 0.01 -1.03 118.95 136.68 2yu6 s ARG 67 Ca -0.01 0.80 -0.36 0.00 -0.47 0.00 0.00 55.73 55.68 2yu6 s ARG 67 Cb -0.03 -3.61 -0.15 0.00 -0.57 0.00 0.00 34.95 30.59 2yu6 s ARG 67 CO -0.01 -0.37 1.49 -0.12 -1.08 0.00 0.00 175.30 175.21 2yu6 n MET 68 N 5.47 1.52 -0.07 3.89 0.00 0.90 -1.20 117.12 127.63 2yu6 n MET 68 Ca 0.02 0.55 -0.08 0.00 -0.00 0.00 0.00 57.70 58.19 2yu6 n MET 68 Cb 0.49 -2.25 -0.09 0.00 0.00 0.00 0.00 33.22 31.37 2yu6 n MET 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2yu6 n SER 69 N 3.36 2.18 -4.67 6.12 2.88 -1.22 -4.45 113.62 117.82 2yu6 n SER 69 Ca 0.19 -0.03 -0.28 0.00 -1.33 0.00 0.00 58.87 57.42 2yu6 n SER 69 Cb 0.22 0.39 -0.10 0.00 -0.75 0.00 0.00 64.21 63.98 2yu6 n SER 69 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu6 s SER 70 N -4.98 4.03 0.20 -3.46 0.15 -1.25 -5.02 113.70 103.38 2yu6 s SER 70 Ca -0.13 -1.34 0.05 0.00 0.70 0.00 0.00 55.95 55.23 2yu6 s SER 70 Cb 0.05 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 2yu6 s SER 70 CO 0.47 -0.53 0.22 -1.83 1.20 0.00 0.00 173.24 172.77 2yu6 s GLU 71 N -3.78 3.10 0.14 5.44 -1.05 -1.26 -4.49 118.70 116.80 2yu6 s GLU 71 Ca 0.33 -0.86 -0.30 0.00 -0.15 0.00 0.00 54.97 53.99 2yu6 s GLU 71 Cb 0.08 -2.72 -0.07 0.00 -0.44 0.00 0.00 34.13 30.98 2yu6 s GLU 71 CO 0.17 0.46 1.02 0.42 0.95 0.00 0.00 175.26 178.28 2yu6 s ILE 72 N -1.90 4.22 0.00 1.83 1.01 -1.26 -4.69 121.20 120.40 2yu6 s ILE 72 Ca 0.33 1.88 0.00 0.00 0.00 0.00 0.00 60.65 62.85 2yu6 s ILE 72 Cb -0.09 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.18 2yu6 s ILE 72 CO 0.26 0.31 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2yu6 n GLY 73 N 2.15 -0.55 0.33 6.18 0.00 -1.25 -4.96 105.19 107.09 2yu6 n GLY 73 Ca 0.02 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.16 2yu6 n GLY 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yu6 n ARG 74 N 0.00 -0.13 -1.29 1.61 3.00 -1.26 -4.40 116.66 114.19 2yu6 n ARG 74 Ca 0.00 1.37 -0.50 0.00 -0.00 0.00 0.00 57.85 58.72 2yu6 n ARG 74 Cb 0.00 -2.05 -0.07 0.00 0.00 0.00 0.00 32.46 30.34 2yu6 n ARG 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2yu6 n GLU 75 N -5.39 0.00 -3.77 -0.14 1.02 -1.26 -4.91 120.64 106.18 2yu6 n GLU 75 Ca 0.12 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 2yu6 n GLU 75 Cb 0.41 -1.19 -0.15 0.00 -0.02 0.00 0.00 31.44 30.49 2yu6 n GLU 75 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yu6 s LYS 76 N 1.25 0.02 0.19 3.49 -0.14 -1.26 -2.72 119.74 120.56 2yu6 s LYS 76 Ca 0.78 0.24 0.07 0.00 -1.36 0.00 0.00 55.97 55.70 2yu6 s LYS 76 Cb -1.10 -0.20 -0.05 0.00 -1.68 0.00 0.00 37.83 34.81 2yu6 s LYS 76 CO 0.56 -0.15 -0.14 -1.12 -0.76 0.00 0.00 175.35 173.74 2yu6 s SER 77 N 0.99 2.39 -0.14 2.83 0.01 -1.26 -5.04 113.70 113.49 2yu6 s SER 77 Ca -0.08 -1.00 -0.10 0.00 1.31 0.00 0.00 55.95 56.08 2yu6 s SER 77 Cb -0.11 -0.11 -0.06 0.00 0.21 0.00 0.00 66.02 65.95 2yu6 s SER 77 CO -0.04 -0.19 -0.23 0.00 0.41 0.00 0.00 173.24 173.19 2yu6 n GLN 78 N -0.26 0.36 -1.52 12.44 6.02 -1.26 -4.91 117.38 128.24 2yu6 n GLN 78 Ca -0.09 0.15 -0.32 0.00 -0.01 0.00 0.00 57.00 56.73 2yu6 n GLN 78 Cb 0.60 -1.11 -0.12 0.00 1.02 0.00 0.00 30.24 30.63 2yu6 n GLN 78 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2yu6 n ASP 79 N -3.92 0.69 -3.62 1.08 5.68 -1.26 -4.83 116.55 110.37 2yu6 n ASP 79 Ca -0.24 -0.38 -0.15 0.00 -0.50 0.00 0.00 54.79 53.51 2yu6 n ASP 79 Cb 0.58 -1.12 -0.07 0.00 -1.14 0.00 0.00 41.12 39.36 2yu6 n ASP 79 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 2yu6 s TRP 80 N 8.90 -0.61 0.12 2.11 0.23 -1.26 -4.97 118.94 123.45 2yu6 s TRP 80 Ca 1.19 1.30 -0.03 0.00 -2.03 0.00 0.00 56.10 56.54 2yu6 s TRP 80 Cb -0.73 0.28 -0.15 0.00 0.03 0.00 0.00 33.47 32.90 2yu6 s TRP 80 CO 0.39 -0.44 1.26 0.78 0.96 0.00 0.00 176.95 179.90 2yu6 h GLY 81 N 4.22 0.34 -7.49 0.98 0.00 -1.94 -3.42 103.07 95.76 2yu6 h GLY 81 Ca -0.28 -0.70 -0.68 0.00 0.00 0.00 0.00 47.33 45.67 2yu6 h GLY 81 CO 0.25 0.61 -0.69 -0.56 0.00 0.00 0.00 176.54 176.15 2yu6 s SER 82 N -7.07 4.80 0.45 0.19 0.01 -1.26 -4.97 113.70 105.86 2yu6 s SER 82 Ca -0.04 -1.04 0.13 0.00 1.31 0.00 0.00 55.95 56.30 2yu6 s SER 82 Cb 0.08 -1.74 1.03 0.00 0.21 0.00 0.00 66.02 65.60 2yu6 s SER 82 CO 0.86 -0.22 2.04 0.00 0.41 0.00 0.00 173.24 176.34 2yu6 h ALA 83 N 8.07 1.76 -0.09 1.44 0.00 -1.97 -3.37 119.26 125.11 2yu6 h ALA 83 Ca -0.27 -0.10 -0.34 0.00 0.00 0.00 0.00 54.91 54.21 2yu6 h ALA 83 Cb 1.09 -0.05 0.06 0.00 0.00 0.00 0.00 17.79 18.89 2yu6 h ALA 83 CO 0.57 0.18 0.92 0.41 0.00 0.00 0.00 179.25 181.32 2yu6 n GLY 84 N -1.23 0.43 3.31 0.00 0.00 -1.26 -4.78 105.19 101.66 2yu6 n GLY 84 Ca -0.01 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 2yu6 n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yu6 s LEU 85 N 8.23 1.44 -0.31 0.99 1.43 -1.26 -4.89 118.68 124.31 2yu6 s LEU 85 Ca 0.73 -1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.11 2yu6 s LEU 85 Cb 0.05 0.70 0.19 0.00 0.03 0.00 0.00 46.19 47.16 2yu6 s LEU 85 CO 0.24 -1.05 1.09 -0.83 0.23 0.00 0.00 176.35 176.02 2yu6 s GLY 86 N -3.29 -1.38 0.00 -3.19 0.00 -1.26 -5.02 107.32 93.19 2yu6 s GLY 86 Ca 0.38 1.61 0.00 0.00 0.00 0.00 0.00 44.72 46.71 2yu6 s GLY 86 CO 0.22 4.30 0.00 0.61 0.00 0.00 0.00 173.10 178.23 2yu6 n GLY 87 N 4.04 1.32 3.86 0.20 0.00 -1.26 -4.70 105.19 108.65 2yu6 n GLY 87 Ca 0.06 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 2yu6 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yu6 s VAL 88 N 0.00 5.07 0.03 1.61 1.01 -1.10 -4.51 120.40 122.51 2yu6 s VAL 88 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2yu6 s VAL 88 Cb 0.00 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2yu6 s VAL 88 CO 0.00 0.14 -0.01 0.72 0.00 0.00 0.00 175.10 175.95 2yu6 s PHE 89 N -1.46 0.32 0.62 5.22 -0.71 -1.15 -3.87 117.98 116.94 2yu6 s PHE 89 Ca 0.33 -0.66 -0.11 0.00 -1.04 0.00 0.00 56.93 55.44 2yu6 s PHE 89 Cb -0.13 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.41 2yu6 s PHE 89 CO 0.26 -0.27 1.03 0.15 -1.34 0.00 0.00 175.22 175.05 2yu6 s LYS 90 N -2.27 3.60 -0.05 1.99 1.02 -1.26 -0.45 119.74 122.31 2yu6 s LYS 90 Ca -0.08 0.77 -0.04 0.00 0.02 0.00 0.00 55.97 56.64 2yu6 s LYS 90 Cb -0.04 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.21 2yu6 s LYS 90 CO -0.04 -0.57 0.13 0.14 -0.92 0.00 0.00 175.35 174.10 2yu6 s VAL 91 N -3.14 -0.01 -0.48 3.17 -7.23 -1.08 -3.43 120.40 108.20 2yu6 s VAL 91 Ca 0.55 0.05 -0.18 0.00 -1.81 0.00 0.00 61.98 60.60 2yu6 s VAL 91 Cb -0.11 -0.20 0.06 0.00 0.56 0.00 0.00 36.38 36.68 2yu6 s VAL 91 CO 0.52 0.02 0.53 -0.70 -0.31 0.00 0.00 175.10 175.16 2yu6 s GLU 92 N 0.37 3.08 0.06 4.82 2.56 -0.34 -4.74 118.70 124.50 2yu6 s GLU 92 Ca -0.03 -0.99 -0.30 0.00 0.00 0.00 0.00 54.97 53.65 2yu6 s GLU 92 Cb -0.04 -4.08 -0.05 0.00 2.00 0.00 0.00 34.13 31.96 2yu6 s GLU 92 CO -0.02 -1.10 1.09 -1.58 -0.56 0.00 0.00 175.26 173.09 2yu6 s TRP 93 N 2.26 3.57 -0.22 5.30 0.52 -1.26 -0.81 118.94 128.30 2yu6 s TRP 93 Ca 0.12 1.53 -0.16 0.00 0.02 0.00 0.00 56.10 57.60 2yu6 s TRP 93 Cb -0.20 -3.26 -0.09 0.00 -1.15 0.00 0.00 33.47 28.77 2yu6 s TRP 93 CO 0.11 -0.61 -0.35 -0.89 0.02 0.00 0.00 176.95 175.24 2yu6 n ILE 94 N 3.64 1.49 -4.33 2.03 -0.00 -1.21 -4.99 119.36 116.00 2yu6 n ILE 94 Ca 0.07 -0.10 -0.21 0.00 -0.00 0.00 0.00 62.75 62.50 2yu6 n ILE 94 Cb 0.48 -2.11 -0.16 0.00 -0.00 0.00 0.00 39.64 37.85 2yu6 n ILE 94 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2yu6 s ARG 95 N -2.70 1.09 -0.14 0.38 1.81 -1.26 -5.01 118.95 113.11 2yu6 s ARG 95 Ca -0.33 -0.23 0.17 0.00 -1.72 0.00 0.00 55.73 53.63 2yu6 s ARG 95 Cb 0.09 -1.00 0.73 0.00 -0.45 0.00 0.00 34.95 34.32 2yu6 s ARG 95 CO 0.45 -0.01 1.64 1.63 -0.68 0.00 0.00 175.30 178.33 2yu6 n LYS 96 N 3.83 3.96 -1.74 3.54 5.02 -1.26 -4.14 118.16 127.37 2yu6 n LYS 96 Ca -0.24 -2.94 -0.30 0.00 -2.02 0.00 0.00 58.31 52.81 2yu6 n LYS 96 Cb 0.52 -1.96 0.05 0.00 -0.02 0.00 0.00 35.03 33.62 2yu6 n LYS 96 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2yu6 s GLU 97 N -2.08 2.77 -0.24 1.97 2.12 -1.26 -4.91 118.70 117.07 2yu6 s GLU 97 Ca 0.51 0.64 -0.07 0.00 0.36 0.00 0.00 54.97 56.41 2yu6 s GLU 97 Cb 0.35 -2.00 -0.02 0.00 0.26 0.00 0.00 34.13 32.72 2yu6 s GLU 97 CO 0.22 -1.14 0.05 -1.12 -0.54 0.00 0.00 175.26 172.73 2yu6 s SER 98 N -4.11 4.98 -0.23 -1.70 0.01 -1.26 -4.14 113.70 107.25 2yu6 s SER 98 Ca 0.58 -0.24 -0.09 0.00 1.31 0.00 0.00 55.95 57.51 2yu6 s SER 98 Cb -0.12 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 2yu6 s SER 98 CO 0.53 -0.03 0.12 -0.22 0.41 0.00 0.00 173.24 174.05 2yu6 s LEU 99 N 1.59 3.88 0.14 2.44 2.96 -1.20 -4.87 118.68 123.62 2yu6 s LEU 99 Ca 0.06 0.03 -0.31 0.00 -0.22 0.00 0.00 54.13 53.69 2yu6 s LEU 99 Cb -0.15 -2.03 -0.08 0.00 0.50 0.00 0.00 46.19 44.43 2yu6 s LEU 99 CO 0.02 0.07 1.34 -2.16 -1.32 0.00 0.00 176.35 174.30 2yu6 s PRO 100 N 1.03 4.36 0.39 0.98 0.04 -1.26 -1.52 135.00 139.01 2yu6 s PRO 100 Ca 0.06 2.04 0.21 0.00 0.04 0.00 0.00 61.00 63.34 2yu6 s PRO 100 Cb -0.14 -3.23 1.20 0.00 0.04 0.00 0.00 34.50 32.37 2yu6 s PRO 100 CO 0.04 -0.35 1.68 0.74 0.04 0.00 0.00 177.00 179.15 2yu6 h PHE 101 N 6.21 0.73 -0.97 0.56 0.04 -1.95 0.22 116.94 121.77 2yu6 h PHE 101 Ca -0.43 0.03 0.32 0.00 2.80 0.00 0.00 57.97 60.68 2yu6 h PHE 101 Cb 1.21 -0.19 -0.16 0.00 2.20 0.00 0.00 35.95 39.01 2yu6 h PHE 101 CO 0.64 -0.12 0.45 0.37 -0.60 0.00 0.00 178.31 179.06 2yu6 h GLN 102 N 0.27 0.21 -0.85 1.51 4.15 -1.91 0.90 115.11 119.40 2yu6 h GLN 102 Ca 0.72 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 60.11 2yu6 h GLN 102 Cb 1.91 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 29.51 2yu6 h GLN 102 CO -0.46 0.14 0.44 0.74 -1.93 0.00 0.00 178.83 177.77 2yu6 h PHE 103 N 0.22 1.19 -0.50 3.99 -1.00 -0.93 -1.80 116.94 118.11 2yu6 h PHE 103 Ca 0.71 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.45 2yu6 h PHE 103 Cb 1.62 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 40.81 2yu6 h PHE 103 CO -0.10 0.84 0.00 0.00 -1.61 0.00 0.00 178.31 177.44 2yu6 n ALA 104 N -2.42 3.33 1.26 2.45 0.00 0.28 -4.29 120.51 121.13 2yu6 n ALA 104 Ca 0.09 -1.42 0.09 0.00 0.00 0.00 0.00 53.44 52.19 2yu6 n ALA 104 Cb 0.11 -1.07 0.52 0.00 0.00 0.00 0.00 19.45 19.01 2yu6 n ALA 104 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2yu6 n HIS 105 N 0.68 0.00 0.14 0.00 -0.00 0.42 -2.15 115.22 114.31 2yu6 n HIS 105 Ca 0.22 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.98 2yu6 n HIS 105 Cb 0.89 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.83 2yu6 n HIS 105 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2yu6 n HIS 106 N -0.93 0.00 -3.47 1.57 1.44 -1.26 -5.00 115.22 107.56 2yu6 n HIS 106 Ca 0.13 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.48 2yu6 n HIS 106 Cb 0.06 -0.11 -0.06 0.00 0.12 0.00 0.00 29.99 30.01 2yu6 n HIS 106 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2yu6 s LEU 107 N -3.06 4.39 0.00 2.39 1.43 -0.92 -5.08 118.68 117.83 2yu6 s LEU 107 Ca -0.01 0.95 0.04 0.00 -1.03 0.00 0.00 54.13 54.09 2yu6 s LEU 107 Cb 0.05 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 2yu6 s LEU 107 CO 0.32 0.19 0.16 0.18 0.23 0.00 0.00 176.35 177.43 2yu6 n LEU 108 N 1.14 0.00 -3.81 1.79 4.77 -1.26 -2.76 117.00 116.87 2yu6 n LEU 108 Ca -0.09 -2.21 -0.30 0.00 -0.03 0.00 0.00 56.01 53.38 2yu6 n LEU 108 Cb 0.52 0.99 -0.15 0.00 -2.33 0.00 0.00 43.42 42.45 2yu6 n LEU 108 CO 0.41 -0.36 -0.32 0.21 -1.33 0.00 0.00 177.39 176.01 2yu6 s ASN 109 N -2.69 4.19 0.00 -1.43 3.84 0.15 -4.44 114.94 114.56 2yu6 s ASN 109 Ca 0.22 -1.92 0.16 0.00 0.21 0.00 0.00 52.86 51.53 2yu6 s ASN 109 Cb 0.01 -1.10 0.92 0.00 -0.55 0.00 0.00 41.25 40.53 2yu6 s ASN 109 CO 0.16 -0.38 1.35 -0.81 -2.79 0.00 0.00 177.10 174.62 2yu6 n PRO 110 N 4.50 0.48 -0.00 0.43 -0.04 -1.26 -0.93 135.00 138.17 2yu6 n PRO 110 Ca 0.01 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 2yu6 n PRO 110 Cb 0.41 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.25 2yu6 n PRO 110 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2yu6 n TRP 111 N -1.01 0.00 -2.78 0.54 7.02 -1.26 -4.36 117.44 115.59 2yu6 n TRP 111 Ca 0.12 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.41 2yu6 n TRP 111 Cb 0.06 -0.02 -0.00 0.00 -2.42 0.00 0.00 31.31 28.92 2yu6 n TRP 111 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2yu6 n ASN 112 N -1.51 2.71 -2.04 -0.99 5.15 -0.77 -4.91 115.26 112.90 2yu6 n ASN 112 Ca 0.03 -3.22 -0.10 0.00 -0.60 0.00 0.00 54.58 50.69 2yu6 n ASN 112 Cb 0.32 -0.54 0.04 0.00 -0.53 0.00 0.00 39.78 39.07 2yu6 n ASN 112 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2yu6 n ASP 113 N -0.13 -3.25 -2.43 1.20 2.03 -1.25 -3.13 116.55 109.59 2yu6 n ASP 113 Ca 0.24 -0.27 -0.07 0.00 0.52 0.00 0.00 54.79 55.21 2yu6 n ASP 113 Cb 0.66 -2.66 -0.01 0.00 -0.72 0.00 0.00 41.12 38.39 2yu6 n ASP 113 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2yu6 n ASN 114 N -1.18 -0.91 -4.82 1.67 6.94 -0.11 -4.83 115.26 112.02 2yu6 n ASN 114 Ca -0.05 0.10 -0.35 0.00 -0.02 0.00 0.00 54.58 54.26 2yu6 n ASN 114 Cb 0.55 -0.87 -0.06 0.00 -2.36 0.00 0.00 39.78 37.03 2yu6 n ASN 114 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2yu6 s LYS 115 N -4.29 4.26 0.31 -3.83 -0.14 -1.03 -4.42 119.74 110.59 2yu6 s LYS 115 Ca 0.14 0.95 -0.25 0.00 -1.36 0.00 0.00 55.97 55.45 2yu6 s LYS 115 Cb -0.08 -2.65 -0.15 0.00 -1.68 0.00 0.00 37.83 33.26 2yu6 s LYS 115 CO 0.17 0.25 0.45 1.17 -0.76 0.00 0.00 175.35 176.63 2yu6 n LYS 116 N 0.23 0.25 -0.15 1.68 4.81 -1.26 0.33 118.16 124.05 2yu6 n LYS 116 Ca 0.01 0.09 -0.03 0.00 -0.87 0.00 0.00 58.31 57.51 2yu6 n LYS 116 Cb 0.52 -1.18 0.05 0.00 0.02 0.00 0.00 35.03 34.44 2yu6 n LYS 116 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2yu6 h VAL 117 N 0.86 0.65 -0.95 3.15 2.07 -1.73 0.35 116.25 120.65 2yu6 h VAL 117 Ca -0.34 -0.05 0.25 0.00 0.82 0.00 0.00 66.70 67.38 2yu6 h VAL 117 Cb 1.42 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 2yu6 h VAL 117 CO 0.53 0.02 0.65 0.06 0.02 0.00 0.00 177.57 178.86 2yu6 h GLN 118 N 0.13 0.21 -4.41 1.57 -0.00 -1.88 -3.20 115.11 107.53 2yu6 h GLN 118 Ca 0.24 -0.01 -0.67 0.00 -0.00 0.00 0.00 58.65 58.21 2yu6 h GLN 118 Cb 0.35 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.77 2yu6 h GLN 118 CO -0.38 0.14 2.64 -0.89 -0.00 0.00 0.00 178.83 180.34 2yu6 n ILE 119 N -4.41 2.81 -4.06 1.86 5.41 0.11 -4.86 119.36 116.22 2yu6 n ILE 119 Ca 0.21 -2.53 -0.14 0.00 1.00 0.00 0.00 62.75 61.29 2yu6 n ILE 119 Cb 0.88 -2.46 -0.13 0.00 -0.71 0.00 0.00 39.64 37.22 2yu6 n ILE 119 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2yu6 s SER 120 N 4.13 0.52 0.62 4.38 0.15 -1.21 -4.82 113.70 117.47 2yu6 s SER 120 Ca 0.53 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.94 2yu6 s SER 120 Cb 0.13 -0.01 0.08 0.00 -1.71 0.00 0.00 66.02 64.50 2yu6 s SER 120 CO 0.01 -0.06 0.87 -0.13 1.20 0.00 0.00 173.24 175.13 2yu6 s ARG 121 N -0.64 2.16 -0.29 5.44 1.81 -1.26 -4.90 118.95 121.27 2yu6 s ARG 121 Ca -0.04 -0.97 -0.29 0.00 -1.72 0.00 0.00 55.73 52.71 2yu6 s ARG 121 Cb -0.05 -2.43 -0.02 0.00 -0.45 0.00 0.00 34.95 32.01 2yu6 s ARG 121 CO -0.00 -1.04 1.66 0.16 -0.68 0.00 0.00 175.30 175.40 2yu6 s ASP 122 N -4.57 6.19 0.00 0.23 -4.77 -1.26 -2.59 116.67 109.89 2yu6 s ASP 122 Ca 0.61 1.39 0.00 0.00 -3.30 0.00 0.00 52.55 51.26 2yu6 s ASP 122 Cb -0.08 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2yu6 s ASP 122 CO 0.41 -1.46 0.00 0.61 0.70 0.00 0.00 175.17 175.43 2yu6 n GLY 123 N 5.02 1.47 3.88 2.12 0.00 -0.93 -4.91 105.19 111.84 2yu6 n GLY 123 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2yu6 n GLY 123 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu6 s GLN 124 N -0.34 3.64 0.25 1.61 2.00 -1.07 -4.94 119.66 120.80 2yu6 s GLN 124 Ca 0.00 -0.01 -0.08 0.00 -2.00 0.00 0.00 55.36 53.27 2yu6 s GLN 124 Cb 0.00 -3.03 -0.06 0.00 0.80 0.00 0.00 33.01 30.71 2yu6 s GLN 124 CO 0.00 0.60 0.55 -1.83 -0.50 0.00 0.00 175.29 174.11 2yu6 s GLU 125 N -1.91 3.73 -0.03 1.67 1.03 -1.26 0.22 118.70 122.15 2yu6 s GLU 125 Ca 0.31 0.17 0.05 0.00 0.03 0.00 0.00 54.97 55.53 2yu6 s GLU 125 Cb -0.13 -2.65 -0.01 0.00 -0.80 0.00 0.00 34.13 30.54 2yu6 s GLU 125 CO 0.18 0.28 -0.18 -1.17 -1.33 0.00 0.00 175.26 173.04 2yu6 s LEU 126 N -3.08 1.97 0.62 1.83 2.96 -0.45 -4.82 118.68 117.72 2yu6 s LEU 126 Ca 0.46 -0.35 -0.18 0.00 -0.22 0.00 0.00 54.13 53.84 2yu6 s LEU 126 Cb -0.11 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 2yu6 s LEU 126 CO 0.25 0.19 1.24 -1.61 -1.32 0.00 0.00 176.35 175.09 2yu6 s GLU 127 N -0.16 2.75 0.12 1.98 8.01 -1.26 -3.84 118.70 126.30 2yu6 s GLU 127 Ca 0.01 1.90 0.19 0.00 0.01 0.00 0.00 54.97 57.07 2yu6 s GLU 127 Cb -0.10 -1.89 0.79 0.00 -4.31 0.00 0.00 34.13 28.62 2yu6 s GLU 127 CO 0.01 -1.40 1.58 -0.35 0.01 0.00 0.00 175.26 175.11 2yu6 n PRO 128 N -1.81 0.09 -0.08 0.39 -0.04 -1.26 0.10 135.00 132.39 2yu6 n PRO 128 Ca 0.14 0.34 -0.15 0.00 -0.04 0.00 0.00 63.50 63.79 2yu6 n PRO 128 Cb 0.49 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 2yu6 n PRO 128 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2yu6 h GLN 129 N 0.00 0.00 0.00 0.54 -0.00 -1.99 -3.13 115.11 110.53 2yu6 h GLN 129 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 2yu6 h GLN 129 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.77 2yu6 h GLN 129 CO 0.00 0.77 -0.57 -0.39 0.00 0.00 0.00 178.83 178.64 2yu6 h VAL 130 N -1.00 0.22 0.00 2.39 -1.51 -1.85 -3.16 116.25 111.33 2yu6 h VAL 130 Ca -0.15 -1.35 -0.13 0.00 -1.23 0.00 0.00 66.70 63.85 2yu6 h VAL 130 Cb 0.96 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 32.03 2yu6 h VAL 130 CO -0.09 0.13 -0.65 1.23 -1.23 0.00 0.00 177.57 176.96 2yu6 h GLY 131 N 3.87 0.00 0.39 5.19 0.00 -0.52 -2.71 103.07 109.29 2yu6 h GLY 131 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 2yu6 h GLY 131 CO 0.02 0.00 -0.64 1.05 0.00 0.00 0.00 176.54 176.97 2yu6 h GLU 132 N 0.00 0.17 0.00 4.80 4.11 -1.62 -3.28 114.58 118.76 2yu6 h GLU 132 Ca -0.02 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2yu6 h GLU 132 Cb 1.47 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.83 2yu6 h GLU 132 CO 0.08 1.14 0.00 0.00 0.07 0.00 0.00 179.01 180.29 2yu6 n GLN 133 N -4.29 0.03 0.10 1.06 10.64 -1.19 -2.89 117.38 120.84 2yu6 n GLN 133 Ca -0.15 0.13 -0.15 0.00 -1.83 0.00 0.00 57.00 55.00 2yu6 n GLN 133 Cb 0.71 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.45 2yu6 n GLN 133 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2yu6 h LEU 134 N 0.00 0.38 -0.01 2.61 5.85 -1.55 -3.35 115.31 119.24 2yu6 h LEU 134 Ca 0.00 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 2yu6 h LEU 134 Cb 0.35 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2yu6 h LEU 134 CO 0.00 1.32 -0.07 -0.07 -0.34 0.00 0.00 178.44 179.28 2yu6 h LEU 135 N 0.07 0.08 -0.94 2.25 3.38 -1.58 -3.17 115.31 115.39 2yu6 h LEU 135 Ca -0.13 -0.73 0.11 0.00 0.09 0.00 0.00 57.88 57.23 2yu6 h LEU 135 Cb 1.95 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 2yu6 h LEU 135 CO 0.19 0.80 0.88 0.06 0.09 0.00 0.00 178.44 180.46 2yu6 h GLN 136 N -0.64 0.00 -0.64 1.13 3.07 -1.68 0.28 115.11 116.63 2yu6 h GLN 136 Ca -0.01 0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.81 2yu6 h GLN 136 Cb 0.80 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.30 2yu6 h GLN 136 CO 0.01 0.00 0.30 -0.07 0.09 0.00 0.00 178.83 179.16 2yu6 h LEU 137 N 0.00 0.38 -2.00 0.06 3.38 -1.68 0.28 115.31 115.74 2yu6 h LEU 137 Ca 0.18 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.37 2yu6 h LEU 137 Cb 1.95 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 2yu6 h LEU 137 CO -0.00 0.23 0.45 -0.50 0.09 0.00 0.00 178.44 178.71 2yu6 h TRP 138 N 0.53 0.00 0.00 1.13 6.55 -0.65 0.54 115.95 124.05 2yu6 h TRP 138 Ca 0.31 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.10 2yu6 h TRP 138 Cb 0.31 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.61 2yu6 h TRP 138 CO -0.12 0.00 -0.23 0.93 -1.05 0.00 0.00 178.44 177.97 2yu6 h GLU 139 N 0.00 0.00 0.00 0.49 5.08 -1.08 -2.84 114.58 116.22 2yu6 h GLU 139 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2yu6 h GLU 139 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2yu6 h GLU 139 CO -0.00 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 2yu6 h ARG 140 N 0.00 0.00 0.00 2.33 3.08 0.14 -3.53 114.38 116.40 2yu6 h ARG 140 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2yu6 h ARG 140 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2yu6 h ARG 140 CO 0.03 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.21