#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yek s ILE 2 N 0.00 4.37 -0.20 0.53 -1.09 -1.26 -5.03 121.20 118.52 1yek s ILE 2 Ca 0.00 1.84 -0.13 0.00 -2.23 0.00 0.00 60.65 60.12 1yek s ILE 2 Cb 0.00 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 1yek s ILE 2 CO 0.00 0.22 0.27 -0.69 -1.23 0.00 0.00 174.94 173.51 1yek s VAL 3 N 0.47 5.30 -0.25 2.92 1.01 -1.26 -4.80 120.40 123.79 1yek s VAL 3 Ca 0.51 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.91 1yek s VAL 3 Cb -0.25 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1yek s VAL 3 CO 0.30 0.35 0.01 -0.04 0.00 0.00 0.00 175.10 175.72 1yek s MET 4 N 0.82 3.26 -0.21 2.72 -1.94 -1.26 -1.35 119.30 121.33 1yek s MET 4 Ca 0.14 -0.72 -0.06 0.00 -1.71 0.00 0.00 55.69 53.34 1yek s MET 4 Cb -0.13 -3.15 -0.03 0.00 2.01 0.00 0.00 34.83 33.53 1yek s MET 4 CO 0.04 -0.30 0.02 0.99 -0.01 0.00 0.00 175.02 175.77 1yek s THR 5 N 1.48 4.12 -0.07 2.05 2.01 0.52 -3.95 115.64 121.79 1yek s THR 5 Ca 0.04 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1yek s THR 5 Cb -0.16 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1yek s THR 5 CO -0.01 0.41 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.16 1yek s GLN 6 N 1.11 2.82 -0.06 4.92 -0.21 -1.26 -0.68 119.66 126.29 1yek s GLN 6 Ca 0.03 -0.55 -0.07 0.00 0.02 0.00 0.00 55.36 54.79 1yek s GLN 6 Cb -0.14 -2.61 0.02 0.00 1.00 0.00 0.00 33.01 31.28 1yek s GLN 6 CO 0.02 0.62 0.19 -1.54 -2.12 0.00 0.00 175.29 172.46 1yek s SER 7 N -0.70 -0.17 0.94 5.90 1.04 -0.49 -4.57 113.70 115.65 1yek s SER 7 Ca 0.11 0.29 -0.14 0.00 0.48 0.00 0.00 55.95 56.68 1yek s SER 7 Cb -0.11 0.36 0.19 0.00 0.10 0.00 0.00 66.02 66.57 1yek s SER 7 CO 0.02 -0.12 1.29 -2.16 0.98 0.00 0.00 173.24 173.25 1yek s PRO 8 N -0.16 0.72 0.18 4.02 0.04 -1.26 -1.12 135.00 137.43 1yek s PRO 8 Ca -0.03 -0.49 0.08 0.00 0.04 0.00 0.00 61.00 60.60 1yek s PRO 8 Cb -0.02 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1yek s PRO 8 CO 0.01 -2.33 1.42 -0.07 0.04 0.00 0.00 177.00 176.06 1yek h LEU 9 N -1.54 0.03 -7.41 -3.56 -0.00 -1.85 -3.42 115.31 97.56 1yek h LEU 9 Ca -0.43 -0.03 -0.11 0.00 -0.00 0.00 0.00 57.88 57.30 1yek h LEU 9 Cb 1.24 -0.01 -0.21 0.00 -0.00 0.00 0.00 40.66 41.68 1yek h LEU 9 CO 0.38 0.86 -0.22 0.42 -0.00 0.00 0.00 178.44 179.88 1yek s THR 10 N -3.11 0.04 -0.00 0.22 -4.23 -1.26 -1.49 115.64 105.81 1yek s THR 10 Ca -0.00 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1yek s THR 10 Cb 0.11 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.31 1yek s THR 10 CO 0.80 -0.17 -0.01 -1.48 -0.54 0.00 0.00 174.62 173.22 1yek s LEU 11 N -0.95 1.93 -0.23 4.79 0.05 -0.06 -4.93 118.68 119.28 1yek s LEU 11 Ca -0.10 -0.02 -0.02 0.00 0.05 0.00 0.00 54.13 54.04 1yek s LEU 11 Cb -0.04 -0.06 0.01 0.00 -2.05 0.00 0.00 46.19 44.05 1yek s LEU 11 CO 0.04 0.00 -0.07 -0.55 -0.55 0.00 0.00 176.35 175.22 1yek s SER 12 N 0.06 4.15 0.06 1.48 0.15 -1.26 -0.17 113.70 118.18 1yek s SER 12 Ca -0.00 -0.65 0.06 0.00 0.70 0.00 0.00 55.95 56.06 1yek s SER 12 Cb -0.01 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.60 1yek s SER 12 CO -0.00 -0.07 -0.17 -0.69 1.20 0.00 0.00 173.24 173.51 1yek s VAL 13 N 1.38 1.33 0.24 4.45 1.01 -0.30 -4.73 120.40 123.79 1yek s VAL 13 Ca 0.03 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 1yek s VAL 13 Cb -0.15 -1.21 -0.08 0.00 0.00 0.00 0.00 36.38 34.93 1yek s VAL 13 CO -0.05 -0.02 0.73 0.42 0.00 0.00 0.00 175.10 176.17 1yek s THR 14 N -1.00 4.59 0.07 3.92 -4.23 -1.26 -0.45 115.64 117.28 1yek s THR 14 Ca 0.03 1.22 -0.34 0.00 -1.18 0.00 0.00 61.69 61.41 1yek s THR 14 Cb -0.09 -3.81 -0.14 0.00 1.34 0.00 0.00 72.50 69.81 1yek s THR 14 CO 0.02 0.13 1.63 -0.38 -0.54 0.00 0.00 174.62 175.48 1yek n ILE 15 N 0.50 0.16 0.00 2.99 5.41 -1.26 -1.45 119.36 125.71 1yek n ILE 15 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1yek n ILE 15 Cb 0.51 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 1yek n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1yek n GLY 16 N 3.59 2.05 3.94 7.39 0.00 0.84 -4.93 105.19 118.06 1yek n GLY 16 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1yek n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yek s GLN 17 N -0.70 3.50 0.57 1.61 -1.52 -0.53 -4.49 119.66 118.11 1yek s GLN 17 Ca 0.00 -0.36 -0.14 0.00 -1.95 0.00 0.00 55.36 52.91 1yek s GLN 17 Cb 0.00 -2.73 -0.05 0.00 -0.22 0.00 0.00 33.01 30.00 1yek s GLN 17 CO 0.00 0.25 1.01 -1.25 -0.25 0.00 0.00 175.29 175.06 1yek s PRO 18 N -3.95 3.70 -0.05 2.91 0.04 -1.23 -0.79 135.00 135.63 1yek s PRO 18 Ca 0.39 0.89 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 1yek s PRO 18 Cb -0.10 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1yek s PRO 18 CO 0.33 -0.48 0.21 0.00 0.04 0.00 0.00 177.00 177.10 1yek s ALA 19 N -2.86 -0.52 -0.00 8.56 0.00 -0.17 -4.93 121.76 121.83 1yek s ALA 19 Ca 0.58 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 1yek s ALA 19 Cb -0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 1yek s ALA 19 CO 0.42 -0.16 0.02 -1.54 0.00 0.00 0.00 175.76 174.50 1yek s SER 20 N -0.56 0.06 -0.03 0.00 1.04 -1.26 -0.46 113.70 112.49 1yek s SER 20 Ca -0.07 -0.15 0.06 0.00 0.48 0.00 0.00 55.95 56.28 1yek s SER 20 Cb -0.04 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 1yek s SER 20 CO 0.01 -0.14 -0.20 -0.63 0.98 0.00 0.00 173.24 173.26 1yek s ILE 21 N -0.60 1.63 -0.00 -1.02 1.01 0.36 -4.79 121.20 117.79 1yek s ILE 21 Ca -0.07 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1yek s ILE 21 Cb -0.04 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1yek s ILE 21 CO -0.00 0.46 -0.00 -0.55 0.00 0.00 0.00 174.94 174.85 1yek s SER 22 N -0.32 5.10 -0.03 3.58 0.15 -0.27 -0.76 113.70 121.14 1yek s SER 22 Ca 0.04 -0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 1yek s SER 22 Cb -0.09 -1.33 0.03 0.00 -1.71 0.00 0.00 66.02 62.91 1yek s SER 22 CO 0.00 0.28 0.04 0.00 1.20 0.00 0.00 173.24 174.77 1yek s LYS 24 N 1.65 2.28 0.17 0.00 2.36 0.14 -0.35 119.74 126.00 1yek s LYS 24 Ca -0.02 -0.85 0.09 0.00 -2.55 0.00 0.00 55.97 52.65 1yek s LYS 24 Cb -0.13 -2.16 -0.04 0.00 -1.05 0.00 0.00 37.83 34.45 1yek s LYS 24 CO -0.03 0.56 -0.15 -1.54 1.55 0.00 0.00 175.35 175.75 1yek s SER 25 N -0.60 3.99 0.38 1.43 1.04 0.46 -0.36 113.70 120.04 1yek s SER 25 Ca 0.09 -0.64 0.27 0.00 0.48 0.00 0.00 55.95 56.15 1yek s SER 25 Cb -0.11 -0.58 0.85 0.00 0.10 0.00 0.00 66.02 66.29 1yek s SER 25 CO -0.00 0.12 1.77 0.77 0.98 0.00 0.00 173.24 176.88 1yek h SER 26 N 3.15 0.00 -4.20 7.02 4.64 -1.55 -3.45 113.55 119.15 1yek h SER 26 Ca -0.47 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.52 1yek h SER 26 Cb 1.20 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.12 1yek h SER 26 CO 0.51 0.00 -0.73 -1.10 -0.87 0.00 0.00 176.83 174.64 1yek s GLN 27 N -3.33 0.94 0.00 4.77 -1.52 -1.26 -4.98 119.66 114.29 1yek s GLN 27 Ca 0.06 -1.29 0.00 0.00 -1.95 0.00 0.00 55.36 52.18 1yek s GLN 27 Cb 0.09 -0.59 0.00 0.00 -0.22 0.00 0.00 33.01 32.29 1yek s GLN 27 CO 0.56 0.08 0.00 0.45 -0.25 0.00 0.00 175.29 176.14 1yek n SER 27 N 0.24 0.00 -1.52 5.90 2.88 -1.26 -4.67 113.62 115.18 1yek n SER 27 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1yek n SER 27 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1yek n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1yek n LEU 27 N 0.00 -4.50 -4.85 2.46 0.00 -1.26 -4.99 117.00 103.86 1yek n LEU 27 Ca 0.00 1.87 -0.30 0.00 0.00 0.00 0.00 56.01 57.58 1yek n LEU 27 Cb 0.00 -2.29 0.06 0.00 0.00 0.00 0.00 43.42 41.19 1yek n LEU 27 CO 0.00 -1.22 0.73 -0.47 0.00 0.00 0.00 177.39 176.44 1yek s TYR 27 N -0.32 3.18 -0.22 1.96 5.04 0.14 -4.93 117.35 122.20 1yek s TYR 27 Ca 0.00 1.14 0.26 0.00 -2.44 0.00 0.00 57.07 56.03 1yek s TYR 27 Cb 0.00 -3.04 1.22 0.00 0.35 0.00 0.00 41.96 40.49 1yek s TYR 27 CO 0.00 -1.33 1.79 0.66 -1.34 0.00 0.00 175.55 175.33 1yek h SER 27 N -0.77 0.00 -0.22 4.32 4.64 -1.95 0.06 113.55 119.63 1yek h SER 27 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1yek h SER 27 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1yek h SER 27 CO 0.62 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.12 1yek n ASN 28 N -2.43 1.71 0.00 4.97 6.94 -1.26 -4.91 115.26 120.28 1yek n ASN 28 Ca 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.77 1yek n ASN 28 Cb 0.16 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 1yek n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yek n GLY 29 N 1.10 1.04 3.90 4.83 0.00 0.01 -5.04 105.19 111.03 1yek n GLY 29 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1yek n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yek s LYS 30 N -0.27 3.66 -0.28 1.61 3.01 -1.25 -4.80 119.74 121.41 1yek s LYS 30 Ca 0.00 0.01 0.01 0.00 -1.01 0.00 0.00 55.97 54.98 1yek s LYS 30 Cb 0.00 -2.72 0.06 0.00 -1.01 0.00 0.00 37.83 34.15 1yek s LYS 30 CO 0.00 0.33 -0.05 0.99 0.51 0.00 0.00 175.35 177.14 1yek s THR 31 N -1.87 2.58 -1.26 2.17 2.01 -1.26 0.28 115.64 118.29 1yek s THR 31 Ca 0.43 -1.54 -0.09 0.00 0.31 0.00 0.00 61.69 60.80 1yek s THR 31 Cb -0.11 -2.51 0.18 0.00 0.01 0.00 0.00 72.50 70.06 1yek s THR 31 CO 0.26 -0.09 1.82 -1.22 -0.69 0.00 0.00 174.62 174.70 1yek n TYR 32 N 4.52 3.04 -4.35 4.92 4.01 -1.26 -3.87 117.16 124.16 1yek n TYR 32 Ca -0.13 -2.82 -0.34 0.00 -0.16 0.00 0.00 57.90 54.45 1yek n TYR 32 Cb 0.43 -1.92 -0.14 0.00 -0.31 0.00 0.00 39.34 37.39 1yek n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1yek s LEU 33 N -0.19 2.82 0.24 7.72 1.98 -1.26 -0.70 118.68 129.29 1yek s LEU 33 Ca 0.39 -0.35 0.12 0.00 -2.89 0.00 0.00 54.13 51.40 1yek s LEU 33 Cb 0.08 -1.67 -0.05 0.00 0.66 0.00 0.00 46.19 45.21 1yek s LEU 33 CO 0.01 0.08 -0.21 0.20 -1.89 0.00 0.00 176.35 174.54 1yek s ASN 34 N 0.85 3.54 -0.07 3.68 0.01 0.17 -1.36 114.94 121.77 1yek s ASN 34 Ca -0.03 -0.94 0.03 0.00 -0.71 0.00 0.00 52.86 51.21 1yek s ASN 34 Cb -0.15 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.22 1yek s ASN 34 CO 0.01 0.08 -0.17 0.26 -1.51 0.00 0.00 177.10 175.77 1yek s TRP 35 N -2.11 1.81 0.23 2.20 0.52 -0.73 -0.74 118.94 120.11 1yek s TRP 35 Ca 0.26 -0.65 0.10 0.00 0.02 0.00 0.00 56.10 55.83 1yek s TRP 35 Cb -0.06 -1.25 -0.05 0.00 -1.15 0.00 0.00 33.47 30.95 1yek s TRP 35 CO 0.13 -0.28 -0.20 -0.51 0.02 0.00 0.00 176.95 176.11 1yek s LEU 36 N 0.39 2.52 -0.07 2.99 1.43 0.11 -0.72 118.68 125.33 1yek s LEU 36 Ca -0.12 -0.96 0.02 0.00 -1.03 0.00 0.00 54.13 52.04 1yek s LEU 36 Cb -0.15 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.09 1yek s LEU 36 CO 0.05 0.01 -0.12 -0.22 0.23 0.00 0.00 176.35 176.29 1yek s LEU 37 N -3.12 1.63 -0.31 1.79 0.20 -0.04 -1.02 118.68 117.81 1yek s LEU 37 Ca 0.24 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.78 1yek s LEU 37 Cb -0.05 -0.84 0.08 0.00 -0.43 0.00 0.00 46.19 44.95 1yek s LEU 37 CO 0.11 0.03 -0.01 -1.58 -0.29 0.00 0.00 176.35 174.61 1yek s GLN 38 N 0.71 1.87 0.60 1.98 0.74 -0.12 -0.79 119.66 124.64 1yek s GLN 38 Ca -0.14 -1.63 -0.14 0.00 0.05 0.00 0.00 55.36 53.50 1yek s GLN 38 Cb -0.16 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 1yek s GLN 38 CO 0.03 -0.78 1.03 1.03 -0.55 0.00 0.00 175.29 176.05 1yek s ARG 39 N 1.01 3.46 -0.08 1.67 0.52 -1.26 -2.00 118.95 122.27 1yek s ARG 39 Ca 0.02 1.02 -0.38 0.00 -0.52 0.00 0.00 55.73 55.87 1yek s ARG 39 Cb -0.20 -2.06 -0.16 0.00 0.52 0.00 0.00 34.95 33.06 1yek s ARG 39 CO -0.06 -0.68 1.58 -2.30 0.02 0.00 0.00 175.30 173.86 1yek n PRO 40 N -2.22 1.32 -1.29 3.54 -0.02 -1.26 -1.12 135.00 133.94 1yek n PRO 40 Ca 0.07 0.48 -0.10 0.00 -2.02 0.00 0.00 63.50 61.93 1yek n PRO 40 Cb 0.53 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1yek n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yek n GLY 41 N 3.49 1.11 3.48 -1.23 0.00 -1.26 -4.99 105.19 105.78 1yek n GLY 41 Ca 0.22 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1yek n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yek s GLN 42 N -2.68 1.68 0.65 1.61 -1.52 -0.28 -5.14 119.66 113.99 1yek s GLN 42 Ca 0.00 -1.84 -0.12 0.00 -1.95 0.00 0.00 55.36 51.45 1yek s GLN 42 Cb 0.00 -1.49 -0.02 0.00 -0.22 0.00 0.00 33.01 31.28 1yek s GLN 42 CO 0.00 0.14 1.05 -1.12 -0.25 0.00 0.00 175.29 175.10 1yek s SER 43 N -3.52 5.75 0.84 5.90 0.01 -1.26 -4.55 113.70 116.87 1yek s SER 43 Ca 0.30 1.57 -0.11 0.00 1.31 0.00 0.00 55.95 59.03 1yek s SER 43 Cb 0.02 -2.49 0.10 0.00 0.21 0.00 0.00 66.02 63.85 1yek s SER 43 CO 0.14 -1.20 1.10 -2.84 0.41 0.00 0.00 173.24 170.86 1yek s PRO 44 N -4.95 1.69 -0.04 12.44 0.02 -1.26 -4.48 135.00 138.41 1yek s PRO 44 Ca 0.58 1.17 -0.02 0.00 0.02 0.00 0.00 61.00 62.74 1yek s PRO 44 Cb -0.13 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.58 1yek s PRO 44 CO 0.52 -2.04 0.09 0.21 -0.33 0.00 0.00 177.00 175.45 1yek s LYS 45 N -4.84 0.06 0.04 5.54 2.47 0.03 -4.96 119.74 118.09 1yek s LYS 45 Ca 0.63 0.23 -0.30 0.00 -1.56 0.00 0.00 55.97 54.96 1yek s LYS 45 Cb -0.19 -0.10 -0.05 0.00 -1.46 0.00 0.00 37.83 36.03 1yek s LYS 45 CO 0.57 -0.10 1.07 0.50 0.16 0.00 0.00 175.35 177.54 1yek s ARG 46 N 0.69 4.53 -0.27 4.03 3.52 -1.26 -0.86 118.95 129.33 1yek s ARG 46 Ca -0.05 1.57 -0.09 0.00 -0.13 0.00 0.00 55.73 57.03 1yek s ARG 46 Cb -0.07 -3.40 -0.13 0.00 -1.56 0.00 0.00 34.95 29.78 1yek s ARG 46 CO -0.03 -0.10 -0.31 1.28 -0.81 0.00 0.00 175.30 175.33 1yek n LEU 47 N 3.71 2.26 -4.06 -0.88 4.32 0.10 -4.77 117.00 117.67 1yek n LEU 47 Ca 0.07 0.19 -0.16 0.00 -0.02 0.00 0.00 56.01 56.08 1yek n LEU 47 Cb 0.49 -0.83 -0.13 0.00 -1.62 0.00 0.00 43.42 41.32 1yek n LEU 47 CO 0.53 0.68 -0.42 -0.63 -1.22 0.00 0.00 177.39 176.33 1yek s ILE 48 N -2.51 0.70 0.11 -0.08 1.01 -1.09 -1.18 121.20 118.16 1yek s ILE 48 Ca -0.37 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.51 1yek s ILE 48 Cb 0.13 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 1yek s ILE 48 CO 0.52 -0.10 -0.08 -1.38 0.00 0.00 0.00 174.94 173.90 1yek s HIS 49 N -0.82 1.03 -1.43 3.97 -3.43 0.04 -1.78 115.29 112.86 1yek s HIS 49 Ca -0.02 -0.81 -0.06 0.00 -0.80 0.00 0.00 55.06 53.36 1yek s HIS 49 Cb -0.07 -0.56 0.04 0.00 -1.43 0.00 0.00 32.58 30.56 1yek s HIS 49 CO 0.00 -0.05 0.74 1.28 -2.00 0.00 0.00 174.74 174.71 1yek n LEU 50 N 0.06 -2.62 0.00 5.38 4.77 -1.13 -1.43 117.00 122.03 1yek n LEU 50 Ca -0.13 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1yek n LEU 50 Cb 0.60 -2.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.20 1yek n LEU 50 CO 0.30 0.42 0.00 0.52 -1.33 0.00 0.00 177.39 177.30 1yek n VAL 51 N -4.44 0.00 -0.80 4.08 0.31 -0.46 -3.85 118.33 113.17 1yek n VAL 51 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1yek n VAL 51 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1yek n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1yek n SER 52 N 0.87 0.26 -4.67 4.52 3.41 -1.21 -3.63 113.62 113.17 1yek n SER 52 Ca 0.00 -1.06 -0.40 0.00 -0.26 0.00 0.00 58.87 57.15 1yek n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1yek n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1yek s LYS 53 N -0.06 4.25 0.22 4.33 3.01 -0.52 -4.64 119.74 126.35 1yek s LYS 53 Ca 0.00 0.66 -0.29 0.00 -1.01 0.00 0.00 55.97 55.34 1yek s LYS 53 Cb 0.00 -3.55 -0.09 0.00 -1.01 0.00 0.00 37.83 33.18 1yek s LYS 53 CO 0.00 -0.18 0.89 -0.51 0.51 0.00 0.00 175.35 176.06 1yek s LEU 54 N 1.71 4.63 0.65 3.17 1.02 -1.26 -0.78 118.68 127.82 1yek s LEU 54 Ca 0.30 1.86 -0.12 0.00 0.02 0.00 0.00 54.13 56.19 1yek s LEU 54 Cb -0.16 -3.53 -0.02 0.00 0.02 0.00 0.00 46.19 42.51 1yek s LEU 54 CO 0.11 0.17 1.05 -1.81 0.02 0.00 0.00 176.35 175.89 1yek s ASP 55 N -1.18 5.70 0.32 2.29 1.11 -0.32 -4.91 116.67 119.68 1yek s ASP 55 Ca 0.40 1.61 -0.29 0.00 0.18 0.00 0.00 52.55 54.44 1yek s ASP 55 Cb -0.25 -2.50 -0.11 0.00 1.07 0.00 0.00 42.92 41.13 1yek s ASP 55 CO 0.30 -1.22 1.54 -0.44 1.18 0.00 0.00 175.17 176.53 1yek s SER 56 N -3.65 6.39 0.00 0.27 0.01 -1.26 -2.29 113.70 113.17 1yek s SER 56 Ca 0.58 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.81 1yek s SER 56 Cb -0.13 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1yek s SER 56 CO 0.50 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1yek n GLY 57 N 1.52 0.80 3.73 3.44 0.00 -1.26 -5.04 105.19 108.38 1yek n GLY 57 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1yek n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yek s VAL 58 N -3.04 5.34 0.31 1.61 1.01 -0.97 -5.06 120.40 119.61 1yek s VAL 58 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1yek s VAL 58 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 1yek s VAL 58 CO 0.00 0.41 1.55 -2.84 0.00 0.00 0.00 175.10 174.22 1yek s PRO 59 N 0.42 4.13 0.00 2.72 0.02 -1.26 -4.89 135.00 136.15 1yek s PRO 59 Ca 0.14 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.71 1yek s PRO 59 Cb -0.12 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1yek s PRO 59 CO 0.02 -0.59 0.57 -0.40 -0.33 0.00 0.00 177.00 176.27 1yek n ASP 60 N 1.79 0.51 0.20 2.53 5.68 -1.26 -1.74 116.55 124.26 1yek n ASP 60 Ca 0.06 -1.65 0.09 0.00 -0.50 0.00 0.00 54.79 52.79 1yek n ASP 60 Cb 0.38 -0.25 0.24 0.00 -1.14 0.00 0.00 41.12 40.35 1yek n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1yek h ARG 61 N 0.11 0.00 -6.06 0.11 3.08 -1.94 -3.43 114.38 106.25 1yek h ARG 61 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1yek h ARG 61 Cb 0.25 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1yek h ARG 61 CO 0.00 0.23 0.01 0.42 -1.07 0.00 0.00 179.97 179.56 1yek s ILE 62 N -3.28 4.94 0.01 2.04 -1.09 -0.71 -0.34 121.20 122.78 1yek s ILE 62 Ca 0.04 1.29 0.00 0.00 -2.23 0.00 0.00 60.65 59.74 1yek s ILE 62 Cb 0.08 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1yek s ILE 62 CO 0.68 0.38 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.86 1yek s THR 63 N 0.06 0.06 0.08 2.92 2.01 0.11 -4.99 115.64 115.89 1yek s THR 63 Ca 0.32 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 61.94 1yek s THR 63 Cb -0.18 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1yek s THR 63 CO 0.17 -0.24 -0.18 -0.83 -0.69 0.00 0.00 174.62 172.85 1yek s GLY 64 N -0.72 1.04 0.34 4.40 0.00 -1.26 -0.00 107.32 111.11 1yek s GLY 64 Ca -0.08 -1.09 -0.14 0.00 0.00 0.00 0.00 44.72 43.41 1yek s GLY 64 CO -0.00 -1.10 0.67 -1.35 0.00 0.00 0.00 173.10 171.31 1yek s SER 65 N -1.71 0.13 0.00 1.64 1.04 -0.18 -4.38 113.70 110.24 1yek s SER 65 Ca 0.03 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1yek s SER 65 Cb -0.10 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1yek s SER 65 CO 0.03 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.39 1yek n GLY 66 N -0.50 1.07 3.63 7.32 0.00 -1.26 -1.29 105.19 114.15 1yek n GLY 66 Ca -0.05 -2.30 -0.03 0.00 0.00 0.00 0.00 46.02 43.64 1yek n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yek s SER 67 N 0.00 -0.18 1.38 1.61 1.04 -0.81 -4.98 113.70 111.76 1yek s SER 67 Ca 0.00 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1yek s SER 67 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1yek s SER 67 CO 0.00 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1yek n GLY 68 N -0.35 1.45 0.10 7.32 0.00 -1.26 -2.49 105.19 109.97 1yek n GLY 68 Ca -0.06 0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1yek n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yek n THR 69 N 0.00 0.00 -4.58 2.61 -2.24 -1.26 -4.45 114.28 104.36 1yek n THR 69 Ca 0.00 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 1yek n THR 69 Cb 0.00 1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 69.12 1yek n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1yek s ASP 70 N -0.30 2.78 0.05 3.42 1.01 -1.04 -0.40 116.67 122.19 1yek s ASP 70 Ca 0.03 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.79 1yek s ASP 70 Cb 0.02 -1.27 -0.03 0.00 1.01 0.00 0.00 42.92 42.66 1yek s ASP 70 CO 0.04 0.05 -0.07 -0.36 0.21 0.00 0.00 175.17 175.04 1yek s PHE 71 N 0.89 0.69 -0.01 4.23 0.40 0.53 -1.93 117.98 122.78 1yek s PHE 71 Ca -0.07 -0.60 -0.00 0.00 -0.60 0.00 0.00 56.93 55.66 1yek s PHE 71 Cb -0.15 -0.41 0.01 0.00 0.51 0.00 0.00 43.02 42.97 1yek s PHE 71 CO -0.01 -0.11 0.01 0.99 0.70 0.00 0.00 175.22 176.80 1yek s THR 72 N -1.89 -0.02 -0.14 0.64 2.01 -0.41 -1.11 115.64 114.73 1yek s THR 72 Ca -0.06 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 1yek s THR 72 Cb -0.07 -0.04 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 1yek s THR 72 CO -0.01 0.03 0.01 -0.22 -0.69 0.00 0.00 174.62 173.74 1yek s LEU 73 N 0.36 3.55 -0.05 4.42 2.96 0.06 -1.01 118.68 128.97 1yek s LEU 73 Ca -0.03 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1yek s LEU 73 Cb -0.04 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.81 1yek s LEU 73 CO -0.01 0.25 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.64 1yek s LYS 74 N -0.14 1.27 -0.26 1.98 1.02 1.00 -0.48 119.74 124.13 1yek s LYS 74 Ca 0.05 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.66 1yek s LYS 74 Cb -0.13 -1.12 -0.01 0.00 -0.52 0.00 0.00 37.83 36.05 1yek s LYS 74 CO 0.02 0.04 0.04 0.42 -0.92 0.00 0.00 175.35 174.94 1yek s ILE 75 N 0.55 3.86 0.21 2.17 1.01 0.39 0.09 121.20 129.48 1yek s ILE 75 Ca -0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 1yek s ILE 75 Cb -0.13 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1yek s ILE 75 CO 0.02 0.26 1.55 0.77 0.00 0.00 0.00 174.94 177.54 1yek h SER 76 N 8.19 0.62 -2.81 3.58 4.64 -0.96 -0.43 113.55 126.38 1yek h SER 76 Ca -0.36 -0.30 -0.42 0.00 -0.47 0.00 0.00 61.79 60.24 1yek h SER 76 Cb 1.15 -0.17 -0.39 0.00 -0.31 0.00 0.00 62.40 62.68 1yek h SER 76 CO 0.59 0.99 -0.71 -0.13 -0.87 0.00 0.00 176.83 176.70 1yek s ARG 77 N -4.15 0.13 0.17 4.77 0.52 -1.26 -3.52 118.95 115.61 1yek s ARG 77 Ca -0.07 -0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.79 1yek s ARG 77 Cb 0.12 -1.50 -0.08 0.00 0.52 0.00 0.00 34.95 34.01 1yek s ARG 77 CO 0.83 -0.72 1.22 0.08 0.02 0.00 0.00 175.30 176.73 1yek s VAL 78 N 2.20 3.57 0.45 3.52 1.01 0.03 -4.79 120.40 126.39 1yek s VAL 78 Ca 0.05 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.35 1yek s VAL 78 Cb -0.16 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1yek s VAL 78 CO -0.14 0.18 0.04 -1.61 0.00 0.00 0.00 175.10 173.57 1yek s GLU 79 N 0.04 2.08 0.21 2.72 0.41 -1.26 -0.12 118.70 122.78 1yek s GLU 79 Ca 0.55 -2.16 -0.08 0.00 -0.41 0.00 0.00 54.97 52.86 1yek s GLU 79 Cb -0.33 -1.67 0.15 0.00 -1.78 0.00 0.00 34.13 30.50 1yek s GLU 79 CO 0.35 -0.18 1.77 0.00 -0.49 0.00 0.00 175.26 176.72 1yek h ALA 80 N 1.56 1.01 0.00 5.21 0.00 -1.96 -2.71 119.26 122.37 1yek h ALA 80 Ca -0.44 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1yek h ALA 80 Cb 1.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1yek h ALA 80 CO 0.77 0.65 0.00 0.00 0.00 0.00 0.00 179.25 180.67 1yek n ALA 81 N -2.43 1.37 1.34 0.00 0.00 -1.26 -2.57 120.51 116.95 1yek n ALA 81 Ca 0.07 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1yek n ALA 81 Cb 0.20 -1.09 0.52 0.00 0.00 0.00 0.00 19.45 19.07 1yek n ALA 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yek n ASP 82 N -1.38 0.69 -4.74 0.00 8.00 -1.02 -4.91 116.55 113.19 1yek n ASP 82 Ca 0.02 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.41 1yek n ASP 82 Cb 0.06 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 1yek n ASP 82 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1yek s LEU 83 N -2.49 4.36 0.00 0.64 0.20 -1.06 -4.87 118.68 115.45 1yek s LEU 83 Ca 0.27 2.86 0.00 0.00 0.69 0.00 0.00 54.13 57.95 1yek s LEU 83 Cb 0.20 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.33 1yek s LEU 83 CO 0.49 -0.88 0.00 0.61 -0.29 0.00 0.00 176.35 176.28 1yek n GLY 84 N 2.63 0.04 3.41 7.98 0.00 -1.18 -4.56 105.19 113.51 1yek n GLY 84 Ca 0.10 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 1yek n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yek s VAL 85 N -2.82 3.19 -0.12 1.61 1.01 -0.84 -0.61 120.40 121.81 1yek s VAL 85 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1yek s VAL 85 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1yek s VAL 85 CO 0.00 0.53 0.03 -0.31 0.00 0.00 0.00 175.10 175.35 1yek s TYR 86 N 0.16 3.23 0.03 5.22 1.51 0.10 -0.95 117.35 126.66 1yek s TYR 86 Ca -0.06 0.17 0.04 0.00 -1.01 0.00 0.00 57.07 56.21 1yek s TYR 86 Cb -0.15 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1yek s TYR 86 CO 0.05 0.39 -0.13 0.71 -1.11 0.00 0.00 175.55 175.46 1yek s TYR 87 N -0.52 1.11 -0.03 2.71 2.02 -0.19 -0.71 117.35 121.75 1yek s TYR 87 Ca 0.10 -0.34 -0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1yek s TYR 87 Cb -0.12 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.74 1yek s TYR 87 CO 0.02 0.02 0.03 0.00 -1.57 0.00 0.00 175.55 174.05 1yek s VAL 89 N -1.07 0.40 -0.08 0.00 1.01 0.08 -0.68 120.40 120.05 1yek s VAL 89 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1yek s VAL 89 Cb -0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1yek s VAL 89 CO 0.09 0.13 -0.07 0.00 0.00 0.00 0.00 175.10 175.25 1yek s GLN 90 N 0.09 2.89 -0.05 2.72 1.03 -0.58 -0.65 119.66 125.11 1yek s GLN 90 Ca -0.01 -0.56 0.07 0.00 0.04 0.00 0.00 55.36 54.91 1yek s GLN 90 Cb -0.04 -2.63 0.11 0.00 0.03 0.00 0.00 33.01 30.49 1yek s GLN 90 CO -0.00 0.59 1.06 0.41 -2.54 0.00 0.00 175.29 174.80 1yek n GLY 91 N 2.46 3.69 0.16 2.60 0.00 0.13 -3.12 105.19 111.11 1yek n GLY 91 Ca -0.18 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 1yek n GLY 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yek h THR 92 N 0.04 1.38 -4.24 2.61 2.02 -1.95 -3.45 112.91 109.32 1yek h THR 92 Ca 0.00 -2.49 -0.69 0.00 0.77 0.00 0.00 66.41 64.00 1yek h THR 92 Cb 0.69 2.51 -0.26 0.00 -1.74 0.00 0.00 68.15 69.36 1yek h THR 92 CO 0.00 0.75 -0.86 -1.00 0.37 0.00 0.00 175.52 174.78 1yek s HIS 93 N -3.17 2.41 -0.13 3.16 3.76 -1.26 -4.94 115.29 115.12 1yek s HIS 93 Ca -0.07 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 1yek s HIS 93 Cb 0.08 -1.44 -0.05 0.00 1.11 0.00 0.00 32.58 32.28 1yek s HIS 93 CO 0.89 0.14 0.23 0.12 -0.85 0.00 0.00 174.74 175.27 1yek s PHE 94 N -0.81 3.53 0.61 1.40 2.19 -1.26 -3.52 117.98 120.13 1yek s PHE 94 Ca 0.12 0.58 -0.11 0.00 0.33 0.00 0.00 56.93 57.86 1yek s PHE 94 Cb -0.10 -2.18 -0.04 0.00 -1.31 0.00 0.00 43.02 39.39 1yek s PHE 94 CO 0.02 0.45 1.02 -1.25 1.83 0.00 0.00 175.22 177.30 1yek s PRO 95 N -0.22 3.60 0.33 10.12 0.04 -1.26 -4.94 135.00 142.67 1yek s PRO 95 Ca 0.15 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 1yek s PRO 95 Cb -0.13 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1yek s PRO 95 CO 0.04 -0.55 1.28 0.71 0.04 0.00 0.00 177.00 178.52 1yek s TYR 96 N -3.16 3.09 0.06 0.56 2.02 -1.23 -4.71 117.35 113.98 1yek s TYR 96 Ca 0.55 1.45 0.03 0.00 -0.37 0.00 0.00 57.07 58.73 1yek s TYR 96 Cb -0.11 -3.64 -0.03 0.00 -0.40 0.00 0.00 41.96 37.79 1yek s TYR 96 CO 0.53 -1.73 -0.11 0.95 -1.57 0.00 0.00 175.55 173.63 1yek s THR 97 N -1.15 0.79 0.19 -0.71 -4.23 -1.18 -5.00 115.64 104.35 1yek s THR 97 Ca 0.49 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.88 1yek s THR 97 Cb -0.39 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 1yek s THR 97 CO 0.51 -0.32 0.06 -0.36 -0.54 0.00 0.00 174.62 173.97 1yek s PHE 98 N -1.36 2.94 0.77 3.99 0.40 -1.26 -1.52 117.98 121.94 1yek s PHE 98 Ca -0.06 -0.11 -0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1yek s PHE 98 Cb -0.10 -1.40 0.09 0.00 0.51 0.00 0.00 43.02 42.12 1yek s PHE 98 CO 0.01 0.53 1.11 0.20 0.70 0.00 0.00 175.22 177.77 1yek s GLY 99 N -3.14 1.67 0.11 4.36 0.00 0.14 -4.49 107.32 105.97 1yek s GLY 99 Ca 0.29 -0.89 0.22 0.00 0.00 0.00 0.00 44.72 44.33 1yek s GLY 99 CO 0.21 -0.41 1.67 0.61 0.00 0.00 0.00 173.10 175.18 1yek n GLY 100 N -3.16 -1.28 0.00 0.20 0.00 -1.25 -4.73 105.19 94.97 1yek n GLY 100 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1yek n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yek n GLY 101 N 0.45 1.71 2.76 -0.02 0.00 -1.26 -5.04 105.19 103.79 1yek n GLY 101 Ca 0.04 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 1yek n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yek s THR 102 N -2.50 0.43 -0.08 2.61 2.01 0.12 -4.74 115.64 113.49 1yek s THR 102 Ca 0.00 -0.09 -0.23 0.00 0.31 0.00 0.00 61.69 61.68 1yek s THR 102 Cb 0.00 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 1yek s THR 102 CO 0.00 0.12 0.70 -0.75 -0.69 0.00 0.00 174.62 174.00 1yek s LYS 103 N 1.94 4.41 -0.23 4.92 2.20 -0.55 -0.72 119.74 131.70 1yek s LYS 103 Ca 0.03 0.86 -0.07 0.00 -0.36 0.00 0.00 55.97 56.44 1yek s LYS 103 Cb -0.14 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1yek s LYS 103 CO -0.06 0.02 0.06 -1.17 -0.36 0.00 0.00 175.35 173.84 1yek s LEU 104 N 0.96 3.51 0.03 5.43 0.20 0.22 -0.88 118.68 128.14 1yek s LEU 104 Ca 0.37 -0.14 0.09 0.00 0.69 0.00 0.00 54.13 55.14 1yek s LEU 104 Cb -0.17 -1.92 -0.03 0.00 -0.43 0.00 0.00 46.19 43.64 1yek s LEU 104 CO 0.17 0.03 -0.25 -1.83 -0.29 0.00 0.00 176.35 174.17 1yek s GLU 105 N 1.25 1.91 -0.30 1.98 -1.05 0.76 -3.09 118.70 120.16 1yek s GLU 105 Ca 0.05 -1.05 -0.27 0.00 -0.15 0.00 0.00 54.97 53.54 1yek s GLU 105 Cb -0.15 -2.02 0.01 0.00 -0.44 0.00 0.00 34.13 31.54 1yek s GLU 105 CO 0.03 0.53 0.97 0.42 0.95 0.00 0.00 175.26 178.16 1yek s ILE 106 N -0.77 4.64 -0.04 1.83 -1.09 -1.26 -1.15 121.20 123.35 1yek s ILE 106 Ca 0.12 1.59 -0.30 0.00 -2.23 0.00 0.00 60.65 59.83 1yek s ILE 106 Cb -0.10 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.45 1yek s ILE 106 CO 0.02 -0.35 1.03 -0.22 -1.23 0.00 0.00 174.94 174.19 1yek s LEU 107 N 3.33 4.31 0.00 2.97 2.96 0.40 -4.84 118.68 127.81 1yek s LEU 107 Ca 0.40 1.65 0.06 0.00 -0.22 0.00 0.00 54.13 56.03 1yek s LEU 107 Cb -0.13 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1yek s LEU 107 CO 0.13 -0.39 0.23 -2.11 -1.32 0.00 0.00 176.35 172.88 1yek n ARG 108 N 4.50 0.41 -2.18 1.98 -4.01 -1.26 -4.32 116.66 111.79 1yek n ARG 108 Ca 0.08 -2.99 -0.37 0.00 -1.04 0.00 0.00 57.85 53.53 1yek n ARG 108 Cb 0.49 2.28 0.00 0.00 -3.04 0.00 0.00 32.46 32.20 1yek n ARG 108 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1yek s ALA 109 N -3.16 2.89 0.50 2.89 0.00 -1.26 -4.95 121.76 118.66 1yek s ALA 109 Ca 0.32 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 53.04 1yek s ALA 109 Cb 0.02 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 1yek s ALA 109 CO 0.23 -0.80 1.13 -0.25 0.00 0.00 0.00 175.76 176.07 1yek n ASP 110 N -0.73 1.72 -3.72 0.00 8.00 -1.26 -4.78 116.55 115.77 1yek n ASP 110 Ca 0.09 0.98 -0.17 0.00 0.71 0.00 0.00 54.79 56.39 1yek n ASP 110 Cb 0.48 -1.44 -0.17 0.00 -0.02 0.00 0.00 41.12 39.97 1yek n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yek s ALA 111 N -1.33 0.07 0.33 2.24 0.00 0.65 -4.89 121.76 118.83 1yek s ALA 111 Ca 0.68 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.71 1yek s ALA 111 Cb -0.48 -0.48 -0.10 0.00 0.00 0.00 0.00 23.12 22.07 1yek s ALA 111 CO 0.53 -0.32 0.99 0.00 0.00 0.00 0.00 175.76 176.96 1yek s ALA 112 N 1.65 3.22 0.51 0.00 0.00 -1.26 -1.37 121.76 124.51 1yek s ALA 112 Ca -0.02 0.63 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 1yek s ALA 112 Cb -0.12 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 1yek s ALA 112 CO -0.04 0.04 1.18 -2.14 0.00 0.00 0.00 175.76 174.80 1yek s PRO 113 N -1.98 3.47 -0.32 0.00 0.02 -1.26 -4.62 135.00 130.31 1yek s PRO 113 Ca 0.50 1.77 -0.10 0.00 0.02 0.00 0.00 61.00 63.19 1yek s PRO 113 Cb -0.22 -2.20 -0.00 0.00 0.02 0.00 0.00 34.50 32.09 1yek s PRO 113 CO 0.28 -0.79 0.17 0.99 -0.33 0.00 0.00 177.00 177.32 1yek s THR 114 N -1.60 4.66 -0.12 0.99 2.01 -0.38 -4.90 115.64 116.30 1yek s THR 114 Ca 0.69 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 1yek s THR 114 Cb -0.28 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1yek s THR 114 CO 0.33 0.03 0.05 -0.69 -0.69 0.00 0.00 174.62 173.65 1yek s VAL 115 N 1.62 4.75 -0.02 3.82 1.01 -1.26 -0.25 120.40 130.07 1yek s VAL 115 Ca 0.04 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1yek s VAL 115 Cb -0.17 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 1yek s VAL 115 CO 0.07 0.57 -0.11 -0.44 0.00 0.00 0.00 175.10 175.19 1yek s SER 116 N -0.61 1.37 -0.06 3.32 0.01 0.28 -4.96 113.70 113.05 1yek s SER 116 Ca 0.11 -0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.21 1yek s SER 116 Cb -0.12 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 1yek s SER 116 CO 0.02 0.09 -0.24 -0.51 0.41 0.00 0.00 173.24 173.02 1yek s ILE 117 N 0.06 1.98 -0.10 1.44 2.07 -1.26 -0.64 121.20 124.76 1yek s ILE 117 Ca -0.01 -1.02 0.01 0.00 -1.41 0.00 0.00 60.65 58.21 1yek s ILE 117 Cb -0.08 -1.68 0.02 0.00 0.13 0.00 0.00 42.46 40.85 1yek s ILE 117 CO 0.00 0.55 -0.12 -0.36 -1.91 0.00 0.00 174.94 173.11 1yek s PHE 118 N -0.10 1.68 0.78 3.50 0.40 0.91 -5.00 117.98 120.14 1yek s PHE 118 Ca -0.05 -0.78 -0.12 0.00 -0.60 0.00 0.00 56.93 55.39 1yek s PHE 118 Cb -0.14 -1.27 0.06 0.00 0.51 0.00 0.00 43.02 42.18 1yek s PHE 118 CO 0.04 -0.45 1.13 -2.14 0.70 0.00 0.00 175.22 174.51 1yek s PRO 119 N 1.17 2.24 0.46 0.24 0.02 -1.26 -1.27 135.00 136.59 1yek s PRO 119 Ca -0.04 0.32 -0.24 0.00 0.02 0.00 0.00 61.00 61.06 1yek s PRO 119 Cb -0.14 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 1yek s PRO 119 CO -0.03 -1.45 1.19 -2.30 -0.33 0.00 0.00 177.00 174.08 1yek n PRO 120 N -3.26 1.65 -2.11 5.54 -0.02 -1.16 -4.85 135.00 130.79 1yek n PRO 120 Ca 0.07 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 1yek n PRO 120 Cb 0.59 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1yek n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1yek s SER 121 N -0.72 6.34 0.16 2.55 1.04 -1.26 -4.92 113.70 116.89 1yek s SER 121 Ca 0.65 1.41 -0.16 0.00 0.48 0.00 0.00 55.95 58.33 1yek s SER 121 Cb -0.49 -2.46 0.04 0.00 0.10 0.00 0.00 66.02 63.21 1yek s SER 121 CO 0.55 -0.76 1.81 0.28 0.98 0.00 0.00 173.24 176.11 1yek h SER 122 N 0.10 0.45 -0.51 7.02 0.02 -1.99 -1.76 113.55 116.87 1yek h SER 122 Ca -0.45 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.59 1yek h SER 122 Cb 1.19 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.54 1yek h SER 122 CO 0.62 0.32 0.01 -0.33 -1.14 0.00 0.00 176.83 176.31 1yek h GLU 123 N 0.54 0.12 -0.17 3.45 3.07 -2.00 -1.33 114.58 118.26 1yek h GLU 123 Ca 0.16 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1yek h GLU 123 Cb -0.03 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1yek h GLU 123 CO -0.06 0.08 0.01 0.37 -1.40 0.00 0.00 179.01 178.02 1yek h GLN 124 N 0.13 0.29 -0.87 2.33 4.15 -1.76 -2.84 115.11 116.54 1yek h GLN 124 Ca 0.26 -0.09 0.14 0.00 0.77 0.00 0.00 58.65 59.74 1yek h GLN 124 Cb 0.39 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 27.96 1yek h GLN 124 CO -0.42 0.49 0.47 -0.07 -1.93 0.00 0.00 178.83 177.37 1yek h LEU 125 N 0.06 0.60 -0.75 -2.39 3.38 -0.92 0.16 115.31 115.45 1yek h LEU 125 Ca 0.05 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.24 1yek h LEU 125 Cb 0.35 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1yek h LEU 125 CO 0.01 0.27 0.30 0.74 0.09 0.00 0.00 178.44 179.84 1yek h THR 126 N 0.69 0.67 0.00 0.22 2.02 -1.01 0.86 112.91 116.36 1yek h THR 126 Ca 0.47 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1yek h THR 126 Cb 0.64 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1yek h THR 126 CO -0.34 0.08 0.00 -1.20 0.37 0.00 0.00 175.52 174.43 1yek n SER 127 N -4.99 0.00 0.00 4.18 7.64 0.03 -4.86 113.62 115.62 1yek n SER 127 Ca 0.14 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1yek n SER 127 Cb 0.40 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1yek n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yek n GLY 128 N 0.32 0.82 3.47 0.23 0.00 0.30 -5.07 105.19 105.26 1yek n GLY 128 Ca 0.10 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1yek n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yek s GLY 129 N -2.06 1.97 -0.20 -0.02 0.00 -1.12 -2.15 107.32 103.74 1yek s GLY 129 Ca 0.00 -1.98 -0.06 0.00 0.00 0.00 0.00 44.72 42.69 1yek s GLY 129 CO 0.00 -1.91 0.39 0.00 0.00 0.00 0.00 173.10 171.58 1yek s ALA 130 N -2.86 -1.08 -0.08 3.20 0.00 -0.35 -3.01 121.76 117.59 1yek s ALA 130 Ca 0.31 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.61 1yek s ALA 130 Cb 0.03 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1yek s ALA 130 CO 0.14 -0.86 -0.20 -1.12 0.00 0.00 0.00 175.76 173.72 1yek s SER 131 N 2.58 3.51 -0.20 0.00 0.01 -1.26 -0.11 113.70 118.23 1yek s SER 131 Ca 0.02 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 56.83 1yek s SER 131 Cb -0.13 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.95 1yek s SER 131 CO -0.13 0.23 -0.04 -0.69 0.41 0.00 0.00 173.24 173.02 1yek s VAL 132 N -0.05 3.52 -0.06 3.43 1.01 0.41 -3.01 120.40 125.65 1yek s VAL 132 Ca -0.05 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1yek s VAL 132 Cb -0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1yek s VAL 132 CO 0.04 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 174.85 1yek s VAL 133 N 1.09 3.86 -0.08 2.92 1.01 -0.39 -0.73 120.40 128.08 1yek s VAL 133 Ca 0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1yek s VAL 133 Cb -0.15 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.65 1yek s VAL 133 CO -0.00 0.57 -0.03 0.00 0.00 0.00 0.00 175.10 175.64 1yek s PHE 135 N 1.71 3.22 -0.49 0.00 0.08 0.19 -1.54 117.98 121.15 1yek s PHE 135 Ca 0.02 -0.01 -0.01 0.00 0.12 0.00 0.00 56.93 57.05 1yek s PHE 135 Cb -0.13 -2.14 0.13 0.00 -0.57 0.00 0.00 43.02 40.31 1yek s PHE 135 CO -0.05 0.03 0.28 -0.51 -0.10 0.00 0.00 175.22 174.87 1yek s LEU 136 N 0.73 5.08 0.01 -0.37 1.02 -0.05 -0.55 118.68 124.55 1yek s LEU 136 Ca 0.04 -2.46 -0.06 0.00 0.02 0.00 0.00 54.13 51.67 1yek s LEU 136 Cb -0.13 -1.79 -0.05 0.00 0.02 0.00 0.00 46.19 44.24 1yek s LEU 136 CO 0.02 -0.43 0.26 0.20 0.02 0.00 0.00 176.35 176.43 1yek s ASN 137 N 1.06 6.48 -0.91 2.29 0.01 0.65 -0.60 114.94 123.92 1yek s ASN 137 Ca 0.13 0.54 -0.08 0.00 -0.71 0.00 0.00 52.86 52.74 1yek s ASN 137 Cb -0.22 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.36 1yek s ASN 137 CO -0.04 0.25 0.68 0.59 -1.51 0.00 0.00 177.10 177.07 1yek n ASN 138 N 1.06 -5.67 -4.51 -1.22 4.13 -0.88 -1.25 115.26 106.92 1yek n ASN 138 Ca -0.11 -0.78 -0.25 0.00 1.68 0.00 0.00 54.58 55.13 1yek n ASN 138 Cb 0.53 -3.00 -0.10 0.00 -1.54 0.00 0.00 39.78 35.66 1yek n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1yek s PHE 139 N -3.14 2.28 -0.26 3.10 -0.71 -0.38 -4.58 117.98 114.29 1yek s PHE 139 Ca 0.15 -0.52 -0.19 0.00 -1.04 0.00 0.00 56.93 55.34 1yek s PHE 139 Cb -0.06 -1.26 0.07 0.00 -1.21 0.00 0.00 43.02 40.56 1yek s PHE 139 CO 0.86 0.54 0.67 -0.47 -1.34 0.00 0.00 175.22 175.48 1yek s TYR 140 N -2.68 -0.91 1.12 3.49 6.14 -0.47 -1.39 117.35 122.65 1yek s TYR 140 Ca 0.31 1.97 -0.13 0.00 0.64 0.00 0.00 57.07 59.85 1yek s TYR 140 Cb 0.02 0.46 0.26 0.00 0.42 0.00 0.00 41.96 43.12 1yek s TYR 140 CO 0.15 -0.45 1.05 -2.14 0.64 0.00 0.00 175.55 174.80 1yek s PRO 141 N 1.12 -0.58 0.44 4.97 0.02 -1.26 -0.25 135.00 139.46 1yek s PRO 141 Ca -0.06 0.60 0.23 0.00 0.02 0.00 0.00 61.00 61.79 1yek s PRO 141 Cb -0.05 -1.61 0.99 0.00 0.02 0.00 0.00 34.50 33.85 1yek s PRO 141 CO -0.11 -3.43 1.87 1.57 -0.33 0.00 0.00 177.00 176.57 1yek h LYS 142 N -2.40 0.00 -6.22 5.54 2.10 -1.98 -3.43 116.57 110.18 1yek h LYS 142 Ca -0.58 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.49 1yek h LYS 142 Cb 1.34 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.65 1yek h LYS 142 CO 0.52 0.24 1.29 -0.51 -2.00 0.00 0.00 179.45 179.00 1yek s ASP 143 N -6.29 5.91 0.01 7.07 1.01 -1.26 -4.97 116.67 118.16 1yek s ASP 143 Ca -0.01 1.56 -0.12 0.00 0.71 0.00 0.00 52.55 54.69 1yek s ASP 143 Cb 0.11 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.54 1yek s ASP 143 CO 0.64 -1.65 0.26 -0.51 0.21 0.00 0.00 175.17 174.12 1yek s ILE 144 N 6.76 0.08 -0.11 0.77 2.07 -1.26 -4.57 121.20 124.93 1yek s ILE 144 Ca 0.83 -0.63 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1yek s ILE 144 Cb -0.26 -0.70 0.02 0.00 0.13 0.00 0.00 42.46 41.65 1yek s ILE 144 CO 0.34 -0.34 -0.10 0.21 -1.91 0.00 0.00 174.94 173.13 1yek s ASN 145 N -1.62 2.19 -0.08 4.50 2.47 -0.21 -4.95 114.94 117.24 1yek s ASN 145 Ca -0.11 -0.33 0.04 0.00 0.42 0.00 0.00 52.86 52.88 1yek s ASN 145 Cb -0.04 -0.90 -0.01 0.00 -1.45 0.00 0.00 41.25 38.85 1yek s ASN 145 CO 0.01 -0.07 -0.20 0.54 -3.72 0.00 0.00 177.10 173.66 1yek s VAL 146 N 1.44 2.51 0.05 -5.21 0.11 -1.26 0.55 120.40 118.60 1yek s VAL 146 Ca 0.01 -0.89 0.05 0.00 -2.93 0.00 0.00 61.98 58.22 1yek s VAL 146 Cb -0.13 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.72 1yek s VAL 146 CO -0.06 0.56 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.59 1yek s LYS 147 N -0.13 0.92 0.01 1.54 -0.14 -0.23 -4.98 119.74 116.72 1yek s LYS 147 Ca -0.03 -0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 53.71 1yek s LYS 147 Cb -0.14 -0.95 -0.04 0.00 -1.68 0.00 0.00 37.83 35.02 1yek s LYS 147 CO 0.04 0.23 0.13 -1.58 -0.76 0.00 0.00 175.35 173.40 1yek s TRP 148 N -1.02 3.40 -0.02 3.18 0.52 -1.26 -1.37 118.94 122.38 1yek s TRP 148 Ca 0.01 0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.40 1yek s TRP 148 Cb -0.09 -1.77 0.01 0.00 -1.15 0.00 0.00 33.47 30.48 1yek s TRP 148 CO 0.02 0.59 -0.02 0.15 0.02 0.00 0.00 176.95 177.71 1yek s LYS 149 N -1.93 0.32 -0.18 4.98 1.02 -0.19 -1.42 119.74 122.34 1yek s LYS 149 Ca 0.26 -0.05 0.01 0.00 0.02 0.00 0.00 55.97 56.21 1yek s LYS 149 Cb -0.12 -0.39 0.03 0.00 -0.52 0.00 0.00 37.83 36.83 1yek s LYS 149 CO 0.17 -0.01 -0.16 0.42 -0.92 0.00 0.00 175.35 174.85 1yek s ILE 150 N 0.39 1.86 -1.50 2.17 1.01 0.26 -0.44 121.20 124.95 1yek s ILE 150 Ca -0.04 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 1yek s ILE 150 Cb -0.07 -1.77 0.07 0.00 0.01 0.00 0.00 42.46 40.70 1yek s ILE 150 CO -0.01 0.39 1.00 0.47 0.00 0.00 0.00 174.94 176.79 1yek n ASP 151 N 4.65 -4.82 0.00 3.58 8.00 -0.53 -1.85 116.55 125.59 1yek n ASP 151 Ca -0.18 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1yek n ASP 151 Cb 0.49 -4.02 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 1yek n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yek n GLY 152 N -1.72 0.97 3.31 0.44 0.00 -1.26 -5.03 105.19 101.89 1yek n GLY 152 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1yek n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yek s SER 153 N -3.03 3.11 0.28 1.61 1.04 -0.77 -5.07 113.70 110.86 1yek s SER 153 Ca 0.00 -0.46 -0.30 0.00 0.48 0.00 0.00 55.95 55.67 1yek s SER 153 Cb 0.00 -0.47 -0.10 0.00 0.10 0.00 0.00 66.02 65.54 1yek s SER 153 CO 0.00 0.31 1.47 -0.70 0.98 0.00 0.00 173.24 175.30 1yek s GLU 154 N -0.52 4.22 -0.18 4.02 2.12 -1.26 -0.57 118.70 126.52 1yek s GLU 154 Ca 0.07 2.39 0.01 0.00 0.36 0.00 0.00 54.97 57.80 1yek s GLU 154 Cb -0.11 -3.07 0.02 0.00 0.26 0.00 0.00 34.13 31.23 1yek s GLU 154 CO 0.00 -0.47 -0.18 0.50 -0.54 0.00 0.00 175.26 174.57 1yek s ARG 155 N -0.64 3.03 0.00 4.30 6.06 -0.51 -4.88 118.95 126.31 1yek s ARG 155 Ca 0.59 -0.81 0.10 0.00 -2.50 0.00 0.00 55.73 53.11 1yek s ARG 155 Cb -0.44 -2.61 -0.10 0.00 0.06 0.00 0.00 34.95 31.87 1yek s ARG 155 CO 0.47 -0.20 0.44 1.04 -2.50 0.00 0.00 175.30 174.54 1yek n GLN 156 N 4.62 3.61 -4.10 5.12 6.02 -1.26 -4.18 117.38 127.20 1yek n GLN 156 Ca -0.21 -0.06 -0.35 0.00 -0.01 0.00 0.00 57.00 56.37 1yek n GLN 156 Cb 0.50 -0.97 -0.08 0.00 1.02 0.00 0.00 30.24 30.70 1yek n GLN 156 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1yek s ASN 157 N -1.88 5.73 0.00 1.08 4.22 -1.26 -4.35 114.94 118.48 1yek s ASN 157 Ca 0.04 0.23 0.00 0.00 -2.14 0.00 0.00 52.86 50.99 1yek s ASN 157 Cb 0.07 -1.82 0.00 0.00 1.28 0.00 0.00 41.25 40.79 1yek s ASN 157 CO 0.39 0.33 0.00 0.61 -2.04 0.00 0.00 177.10 176.39 1yek n GLY 158 N 2.52 0.80 3.76 0.45 0.00 -1.26 -4.85 105.19 106.61 1yek n GLY 158 Ca -0.18 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1yek n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yek s VAL 159 N -2.00 5.34 -0.14 1.61 1.01 -1.26 -0.82 120.40 124.14 1yek s VAL 159 Ca 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 1yek s VAL 159 Cb 0.00 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1yek s VAL 159 CO 0.00 0.46 -0.02 -0.22 0.00 0.00 0.00 175.10 175.31 1yek s LEU 160 N 0.07 1.23 0.01 3.92 1.98 0.27 -4.98 118.68 121.18 1yek s LEU 160 Ca 0.15 -0.53 0.03 0.00 -2.89 0.00 0.00 54.13 50.89 1yek s LEU 160 Cb -0.13 -0.72 -0.03 0.00 0.66 0.00 0.00 46.19 45.97 1yek s LEU 160 CO 0.03 -0.21 -0.06 0.20 -1.89 0.00 0.00 176.35 174.42 1yek s ASN 161 N 1.77 4.67 -0.03 3.68 0.01 -1.26 -0.69 114.94 123.10 1yek s ASN 161 Ca 0.02 -0.14 -0.04 0.00 -0.71 0.00 0.00 52.86 51.99 1yek s ASN 161 Cb -0.15 -1.10 0.01 0.00 0.41 0.00 0.00 41.25 40.42 1yek s ASN 161 CO -0.07 0.28 0.10 -0.55 -1.51 0.00 0.00 177.10 175.35 1yek s SER 162 N -1.47 -0.09 0.13 -1.22 0.15 0.30 -5.00 113.70 106.51 1yek s SER 162 Ca 0.18 0.15 0.10 0.00 0.70 0.00 0.00 55.95 57.08 1yek s SER 162 Cb -0.11 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1yek s SER 162 CO 0.08 -0.07 -0.23 0.26 1.20 0.00 0.00 173.24 174.47 1yek s TRP 163 N -0.11 2.08 0.39 3.44 0.51 -1.26 -0.54 118.94 123.44 1yek s TRP 163 Ca -0.02 -0.40 0.02 0.00 -2.12 0.00 0.00 56.10 53.59 1yek s TRP 163 Cb -0.02 -1.10 -0.01 0.00 -0.81 0.00 0.00 33.47 31.53 1yek s TRP 163 CO 0.00 0.32 0.58 0.95 -0.51 0.00 0.00 176.95 178.29 1yek s THR 164 N -1.30 4.26 0.90 2.01 -4.23 -0.56 -5.01 115.64 111.70 1yek s THR 164 Ca 0.13 -0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 59.84 1yek s THR 164 Cb -0.09 -3.54 0.17 0.00 1.34 0.00 0.00 72.50 70.38 1yek s THR 164 CO 0.06 -0.32 1.25 -0.62 -0.54 0.00 0.00 174.62 174.45 1yek s ASP 165 N -4.16 3.51 0.11 3.99 -1.08 -1.26 -4.55 116.67 113.24 1yek s ASP 165 Ca 0.45 0.24 -0.31 0.00 -0.52 0.00 0.00 52.55 52.41 1yek s ASP 165 Cb -0.10 -0.40 -0.09 0.00 -1.46 0.00 0.00 42.92 40.87 1yek s ASP 165 CO 0.35 -2.47 1.55 -1.58 0.52 0.00 0.00 175.17 173.54 1yek s GLN 166 N -5.72 4.23 0.07 4.34 0.74 -1.26 -4.72 119.66 117.34 1yek s GLN 166 Ca 0.71 2.27 -0.31 0.00 0.05 0.00 0.00 55.36 58.08 1yek s GLN 166 Cb -0.05 -3.34 -0.07 0.00 1.10 0.00 0.00 33.01 30.65 1yek s GLN 166 CO 0.51 -0.61 1.48 0.34 -0.55 0.00 0.00 175.29 176.45 1yek s ASP 167 N 1.58 6.76 0.00 6.67 -1.08 0.08 -4.92 116.67 125.76 1yek s ASP 167 Ca 0.70 2.32 0.31 0.00 -0.52 0.00 0.00 52.55 55.36 1yek s ASP 167 Cb -0.40 -2.57 1.78 0.00 -1.46 0.00 0.00 42.92 40.26 1yek s ASP 167 CO 0.31 -0.75 2.16 -1.54 0.52 0.00 0.00 175.17 175.87 1yek n SER 168 N 4.84 0.10 -0.06 -0.34 3.41 -1.26 -0.18 113.62 120.12 1yek n SER 168 Ca 0.13 -0.88 -0.10 0.00 -0.26 0.00 0.00 58.87 57.76 1yek n SER 168 Cb 0.42 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.17 1yek n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1yek n LYS 169 N -0.98 0.66 0.00 4.33 4.76 -1.26 -4.70 118.16 120.97 1yek n LYS 169 Ca 0.22 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1yek n LYS 169 Cb 0.15 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 1yek n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1yek n ASP 170 N -2.96 0.00 -1.49 4.39 5.68 -1.22 -5.01 116.55 115.94 1yek n ASP 170 Ca -0.26 -1.00 -0.18 0.00 -0.50 0.00 0.00 54.79 52.85 1yek n ASP 170 Cb 1.09 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 41.01 1yek n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1yek n SER 171 N 0.00 -5.15 -4.97 -1.12 7.64 0.74 -5.00 113.62 105.76 1yek n SER 171 Ca 0.00 0.35 -0.18 0.00 1.01 0.00 0.00 58.87 60.05 1yek n SER 171 Cb 0.39 -4.21 -0.00 0.00 -1.01 0.00 0.00 64.21 59.37 1yek n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1yek s THR 172 N -2.70 2.99 0.22 0.44 -4.23 -1.25 -4.69 115.64 106.41 1yek s THR 172 Ca 0.00 -1.09 0.10 0.00 -1.18 0.00 0.00 61.69 59.52 1yek s THR 172 Cb 0.00 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1yek s THR 172 CO 0.00 -0.01 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.64 1yek s TYR 173 N -2.37 2.52 0.06 3.99 2.02 -0.48 -0.74 117.35 122.34 1yek s TYR 173 Ca 0.53 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 1yek s TYR 173 Cb -0.08 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 1yek s TYR 173 CO 0.32 0.57 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.67 1yek s SER 174 N -3.10 0.89 0.01 2.29 0.01 -1.26 -1.25 113.70 111.29 1yek s SER 174 Ca 0.26 -0.67 -0.06 0.00 1.31 0.00 0.00 55.95 56.79 1yek s SER 174 Cb -0.07 0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 1yek s SER 174 CO 0.15 -0.28 0.11 0.00 0.41 0.00 0.00 173.24 173.63 1yek s MET 175 N -2.19 0.49 -0.04 12.44 0.00 0.23 -1.50 119.30 128.72 1yek s MET 175 Ca -0.04 -0.50 0.05 0.00 0.00 0.00 0.00 55.69 55.19 1yek s MET 175 Cb -0.06 0.20 -0.01 0.00 0.00 0.00 0.00 34.83 34.96 1yek s MET 175 CO -0.01 -0.11 -0.20 0.45 0.00 0.00 0.00 175.02 175.14 1yek s SER 176 N -1.56 2.50 -0.08 -1.18 0.15 0.30 -0.87 113.70 112.96 1yek s SER 176 Ca -0.13 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1yek s SER 176 Cb -0.07 -0.63 0.02 0.00 -1.71 0.00 0.00 66.02 63.63 1yek s SER 176 CO -0.00 0.20 -0.07 -0.55 1.20 0.00 0.00 173.24 174.02 1yek s SER 177 N -0.10 1.71 -0.09 5.45 0.15 -0.59 -0.54 113.70 119.68 1yek s SER 177 Ca -0.02 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.44 1yek s SER 177 Cb -0.12 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1yek s SER 177 CO 0.02 -0.08 -0.23 -0.89 1.20 0.00 0.00 173.24 173.26 1yek s THR 178 N 1.34 1.95 -0.23 6.45 2.01 0.14 -0.86 115.64 126.43 1yek s THR 178 Ca -0.03 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 1yek s THR 178 Cb -0.14 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1yek s THR 178 CO -0.03 0.54 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.20 1yek s LEU 179 N 0.37 3.10 -0.12 4.42 2.96 0.09 -0.57 118.68 128.92 1yek s LEU 179 Ca -0.18 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 1yek s LEU 179 Cb -0.18 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1yek s LEU 179 CO 0.08 -0.04 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.12 1yek s THR 180 N 1.50 3.75 0.37 3.68 2.01 0.00 -0.44 115.64 126.50 1yek s THR 180 Ca 0.05 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.68 1yek s THR 180 Cb -0.15 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1yek s THR 180 CO -0.01 0.54 0.21 -0.76 -0.69 0.00 0.00 174.62 173.90 1yek s LEU 181 N -0.08 1.84 0.59 4.42 1.43 0.84 -4.67 118.68 123.06 1yek s LEU 181 Ca 0.01 -1.73 -0.08 0.00 -1.03 0.00 0.00 54.13 51.31 1yek s LEU 181 Cb -0.13 0.26 -0.01 0.00 0.03 0.00 0.00 46.19 46.34 1yek s LEU 181 CO 0.03 -1.01 0.93 0.42 0.23 0.00 0.00 176.35 176.95 1yek s THR 182 N -3.35 4.04 0.24 5.49 -4.23 -1.26 -1.22 115.64 115.35 1yek s THR 182 Ca 0.32 0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 61.04 1yek s THR 182 Cb 0.02 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 70.40 1yek s THR 182 CO 0.21 -0.68 1.77 0.50 -0.54 0.00 0.00 174.62 175.89 1yek h LYS 183 N -0.20 1.02 -0.31 3.99 3.64 -1.65 -2.03 116.57 121.04 1yek h LYS 183 Ca -0.45 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 58.70 1yek h LYS 183 Cb 1.24 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1yek h LYS 183 CO 0.62 0.89 0.17 -0.44 -2.27 0.00 0.00 179.45 178.42 1yek h ASP 184 N 0.98 0.38 -0.14 4.20 3.32 -1.93 -1.47 116.42 121.76 1yek h ASP 184 Ca 0.21 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 1yek h ASP 184 Cb 0.32 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1yek h ASP 184 CO -0.00 0.35 -0.36 -0.08 -1.72 0.00 0.00 179.24 177.43 1yek h GLU 185 N 0.38 0.66 -0.39 3.56 4.81 -1.93 -3.00 114.58 118.67 1yek h GLU 185 Ca 0.11 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1yek h GLU 185 Cb 0.05 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1yek h GLU 185 CO -0.02 0.92 0.15 -0.92 -0.73 0.00 0.00 179.01 178.41 1yek h TYR 186 N 0.55 0.28 0.00 0.92 3.20 -1.11 -1.69 116.97 119.12 1yek h TYR 186 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1yek h TYR 186 Cb 0.87 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1yek h TYR 186 CO 0.04 0.12 0.00 0.39 -1.64 0.00 0.00 178.16 177.07 1yek n GLU 187 N -4.99 0.92 0.00 1.82 1.02 -0.58 -2.86 120.64 115.98 1yek n GLU 187 Ca 0.02 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.19 1yek n GLU 187 Cb 0.13 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.31 1yek n GLU 187 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1yek n ARG 188 N -0.24 3.60 -4.17 3.49 0.63 -0.64 -5.03 116.66 114.31 1yek n ARG 188 Ca 0.00 -0.25 -0.24 0.00 -0.92 0.00 0.00 57.85 56.44 1yek n ARG 188 Cb 0.11 -0.88 -0.07 0.00 0.45 0.00 0.00 32.46 32.07 1yek n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1yek s HIS 189 N -1.29 2.65 -0.06 -0.14 3.76 -1.14 -5.10 115.29 113.98 1yek s HIS 189 Ca 0.04 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.46 1yek s HIS 189 Cb 0.05 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 32.09 1yek s HIS 189 CO 0.20 0.36 -0.13 0.09 -0.85 0.00 0.00 174.74 174.41 1yek n ASN 190 N -1.10 0.85 -4.84 1.40 3.02 -1.26 -4.73 115.26 108.61 1yek n ASN 190 Ca -0.03 0.14 -0.37 0.00 -0.03 0.00 0.00 54.58 54.29 1yek n ASN 190 Cb 0.62 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 1yek n ASN 190 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1yek s SER 191 N -5.05 6.42 -0.14 6.41 0.01 -1.26 -0.54 113.70 119.54 1yek s SER 191 Ca -0.11 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1yek s SER 191 Cb 0.01 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.16 1yek s SER 191 CO 0.16 0.33 -0.13 -0.31 0.41 0.00 0.00 173.24 173.71 1yek s TYR 192 N -0.69 2.06 -0.08 2.43 1.51 -0.66 -1.45 117.35 120.47 1yek s TYR 192 Ca 0.15 -1.14 0.04 0.00 -1.01 0.00 0.00 57.07 55.11 1yek s TYR 192 Cb -0.13 -1.54 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1yek s TYR 192 CO 0.04 -0.64 -0.19 0.99 -1.11 0.00 0.00 175.55 174.64 1yek s THR 193 N 1.52 1.66 -0.31 -0.71 2.01 0.41 -2.47 115.64 117.76 1yek s THR 193 Ca 0.05 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 1yek s THR 193 Cb -0.13 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1yek s THR 193 CO -0.10 0.47 0.20 0.00 -0.69 0.00 0.00 174.62 174.49 1yek s GLU 195 N 1.71 2.20 0.09 0.00 2.12 -0.47 -1.80 118.70 122.55 1yek s GLU 195 Ca 0.06 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 54.88 1yek s GLU 195 Cb -0.17 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 1yek s GLU 195 CO 0.09 -0.26 -0.01 0.00 -0.54 0.00 0.00 175.26 174.55 1yek s ALA 196 N 1.50 3.28 -0.20 6.30 0.00 0.91 -1.07 121.76 132.48 1yek s ALA 196 Ca 0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1yek s ALA 196 Cb -0.13 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 21.81 1yek s ALA 196 CO -0.10 0.70 -0.12 0.99 0.00 0.00 0.00 175.76 177.22 1yek s THR 197 N -1.30 2.71 0.00 0.00 2.01 0.19 0.08 115.64 119.32 1yek s THR 197 Ca 0.25 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 1yek s THR 197 Cb -0.12 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.22 1yek s THR 197 CO 0.18 0.49 0.23 -2.28 -0.69 0.00 0.00 174.62 172.54 1yek s HIS 198 N 1.33 -0.06 0.37 4.92 2.46 -1.26 -1.04 115.29 122.00 1yek s HIS 198 Ca 0.04 0.04 0.14 0.00 0.47 0.00 0.00 55.06 55.76 1yek s HIS 198 Cb -0.14 0.02 0.99 0.00 -0.13 0.00 0.00 32.58 33.33 1yek s HIS 198 CO -0.07 -0.36 1.78 -0.22 -2.47 0.00 0.00 174.74 173.40 1yek h LYS 199 N 3.97 0.49 0.00 2.88 3.64 -1.95 -2.19 116.57 123.41 1yek h LYS 199 Ca -0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1yek h LYS 199 Cb 1.19 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1yek h LYS 199 CO 0.41 0.32 0.00 0.25 -2.27 0.00 0.00 179.45 178.17 1yek n THR 200 N -4.67 0.00 -3.64 1.00 -2.24 -1.26 -4.69 114.28 98.77 1yek n THR 200 Ca 0.24 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.92 1yek n THR 200 Cb 0.76 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1yek n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1yek s SER 201 N -1.50 -0.83 0.09 3.42 0.15 -0.82 -4.97 113.70 109.24 1yek s SER 201 Ca 0.01 1.43 0.25 0.00 0.70 0.00 0.00 55.95 58.34 1yek s SER 201 Cb 0.00 1.36 0.99 0.00 -1.71 0.00 0.00 66.02 66.67 1yek s SER 201 CO 0.01 -0.24 1.79 0.35 1.20 0.00 0.00 173.24 176.35 1yek n THR 202 N 3.64 0.42 -4.34 6.45 -2.24 -1.26 -4.59 114.28 112.36 1yek n THR 202 Ca -0.18 -0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 1yek n THR 202 Cb 0.57 -0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 68.01 1yek n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1yek s SER 203 N -3.57 2.84 0.37 3.42 1.04 -1.26 -5.11 113.70 111.43 1yek s SER 203 Ca 0.11 -0.78 -0.27 0.00 0.48 0.00 0.00 55.95 55.49 1yek s SER 203 Cb 0.15 -0.17 -0.11 0.00 0.10 0.00 0.00 66.02 65.98 1yek s SER 203 CO 0.49 0.06 1.30 -0.81 0.98 0.00 0.00 173.24 175.26 1yek n PRO 204 N 0.68 2.11 -2.99 4.02 -0.04 -1.26 -4.85 135.00 132.67 1yek n PRO 204 Ca -0.16 0.74 -0.41 0.00 -0.04 0.00 0.00 63.50 63.64 1yek n PRO 204 Cb 0.55 -2.38 -0.05 0.00 -0.04 0.00 0.00 33.50 31.58 1yek n PRO 204 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1yek s ILE 205 N -1.13 4.95 0.03 0.52 1.01 0.11 -4.89 121.20 121.80 1yek s ILE 205 Ca 0.57 1.46 0.08 0.00 0.00 0.00 0.00 60.65 62.76 1yek s ILE 205 Cb -0.54 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 37.85 1yek s ILE 205 CO 0.61 0.09 -0.22 -0.69 0.00 0.00 0.00 174.94 174.72 1yek s VAL 206 N 1.86 1.81 -0.10 2.92 1.01 -1.26 -0.06 120.40 126.57 1yek s VAL 206 Ca 0.35 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1yek s VAL 206 Cb -0.16 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.71 1yek s VAL 206 CO 0.13 0.30 0.23 -0.75 0.00 0.00 0.00 175.10 175.01 1yek s LYS 207 N -1.07 0.16 0.28 2.72 2.20 -0.74 -5.04 119.74 118.25 1yek s LYS 207 Ca 0.09 0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 56.21 1yek s LYS 207 Cb -0.09 -0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 1yek s LYS 207 CO 0.01 -0.21 0.41 -1.54 -0.36 0.00 0.00 175.35 173.66 1yek s SER 208 N 1.63 0.47 0.01 1.43 1.04 -1.26 -1.07 113.70 115.95 1yek s SER 208 Ca -0.06 -1.29 -0.20 0.00 0.48 0.00 0.00 55.95 54.88 1yek s SER 208 Cb -0.11 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.63 1yek s SER 208 CO -0.08 -1.15 0.45 0.72 0.98 0.00 0.00 173.24 174.16 1yek s PHE 209 N -3.59 -0.34 -0.22 5.02 -0.12 -1.03 -5.02 117.98 112.68 1yek s PHE 209 Ca 0.30 0.45 -0.05 0.00 -0.05 0.00 0.00 56.93 57.58 1yek s PHE 209 Cb 0.01 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.63 1yek s PHE 209 CO 0.15 -0.54 -0.02 -0.80 -0.05 0.00 0.00 175.22 173.96 1yek s ASN 210 N -1.67 4.54 0.13 1.98 -0.87 -1.26 -1.66 114.94 116.14 1yek s ASN 210 Ca -0.09 -0.32 -0.17 0.00 -1.57 0.00 0.00 52.86 50.71 1yek s ASN 210 Cb -0.02 -1.79 -0.07 0.00 -0.02 0.00 0.00 41.25 39.36 1yek s ASN 210 CO 0.02 -0.01 0.59 0.00 -2.57 0.00 0.00 177.10 175.13 1yek s ARG 211 N 1.41 4.12 0.00 -0.60 1.70 0.29 -4.99 118.95 120.88 1yek s ARG 211 Ca 0.05 0.66 0.00 0.00 -0.47 0.00 0.00 55.73 55.97 1yek s ARG 211 Cb -0.14 -3.05 0.00 0.00 -0.57 0.00 0.00 34.95 31.19 1yek s ARG 211 CO -0.01 0.53 0.00 0.09 -1.08 0.00 0.00 175.30 174.83 1yek n ASN 212 N 1.16 3.88 -3.77 -2.89 4.13 -1.26 -4.66 115.26 111.84 1yek n ASN 212 Ca -0.07 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.06 1yek n ASN 212 Cb 0.51 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.66 1yek n ASN 212 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1yek s GLU 213 N 4.55 0.65 0.00 3.52 1.03 -1.26 -5.20 118.70 121.99 1yek s GLU 213 Ca 0.00 -0.19 0.00 0.00 0.03 0.00 0.00 54.97 54.81 1yek s GLU 213 Cb 0.00 0.29 0.00 0.00 -0.80 0.00 0.00 34.13 33.62 1yek s GLU 213 CO 0.00 -0.18 0.00 0.00 -1.33 0.00 0.00 175.26 173.75