#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3inu s VAL 2 N 0.00 5.10 0.26 2.62 1.01 -1.26 -3.52 120.40 124.60 3inu s VAL 2 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 3inu s VAL 2 Cb 0.00 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3inu s VAL 2 CO 0.00 -0.29 0.79 0.00 0.00 0.00 0.00 175.10 175.60 3inu s GLN 3 N 2.15 1.67 -0.19 2.72 -2.07 -0.36 -5.02 119.66 118.56 3inu s GLN 3 Ca 0.13 -0.94 0.00 0.00 -1.82 0.00 0.00 55.36 52.73 3inu s GLN 3 Cb -0.17 0.56 0.04 0.00 -1.09 0.00 0.00 33.01 32.35 3inu s GLN 3 CO 0.13 -0.77 -0.07 -0.51 -1.32 0.00 0.00 175.29 172.75 3inu s LEU 4 N -2.95 2.03 -0.32 2.60 1.43 -1.26 -1.54 118.68 118.67 3inu s LEU 4 Ca 0.12 -0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 3inu s LEU 4 Cb -0.05 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 3inu s LEU 4 CO 0.06 -0.17 0.28 -0.76 0.23 0.00 0.00 176.35 175.98 3inu s LEU 5 N 1.50 4.32 0.00 1.79 1.43 0.98 -4.12 118.68 124.57 3inu s LEU 5 Ca -0.01 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 3inu s LEU 5 Cb -0.16 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 3inu s LEU 5 CO -0.08 -0.21 0.27 -1.61 0.23 0.00 0.00 176.35 174.94 3inu s GLU 6 N 1.85 3.58 0.20 1.70 2.02 -1.26 -0.46 118.70 126.34 3inu s GLU 6 Ca 0.09 -0.06 -0.03 0.00 0.02 0.00 0.00 54.97 54.99 3inu s GLU 6 Cb -0.17 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 3inu s GLU 6 CO 0.11 0.66 0.18 -1.54 0.02 0.00 0.00 175.26 174.68 3inu s SER 7 N -1.65 0.12 0.00 -0.19 1.04 0.25 -5.00 113.70 108.27 3inu s SER 7 Ca 0.27 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.38 3inu s SER 7 Cb -0.13 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3inu s SER 7 CO 0.15 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3inu n GLY 8 N -0.28 -1.97 1.27 7.32 0.00 -1.26 -1.80 105.19 108.47 3inu n GLY 8 Ca 0.01 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3inu n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inu n GLY 9 N -0.00 -2.80 0.00 -0.02 0.00 -1.26 -4.80 105.19 96.30 3inu n GLY 9 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3inu n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inu n GLY 10 N -0.24 0.26 3.78 -0.02 0.00 -0.10 -5.00 105.19 103.87 3inu n GLY 10 Ca 0.00 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.38 3inu n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3inu s LEU 11 N 0.00 4.58 -0.05 0.99 2.96 -1.26 -1.08 118.68 124.82 3inu s LEU 11 Ca 0.00 1.60 -0.15 0.00 -0.22 0.00 0.00 54.13 55.36 3inu s LEU 11 Cb 0.00 -3.26 0.03 0.00 0.50 0.00 0.00 46.19 43.46 3inu s LEU 11 CO 0.00 0.21 0.35 0.54 -1.32 0.00 0.00 176.35 176.12 3inu s VAL 12 N -1.08 0.04 0.46 1.68 0.11 0.41 -4.93 120.40 117.08 3inu s VAL 12 Ca 0.35 -0.32 -0.20 0.00 -2.93 0.00 0.00 61.98 58.88 3inu s VAL 12 Cb -0.23 -0.61 -0.10 0.00 -1.53 0.00 0.00 36.38 33.91 3inu s VAL 12 CO 0.25 -0.18 0.98 -0.54 -3.33 0.00 0.00 175.10 172.29 3inu s LYS 13 N -0.93 4.05 0.24 1.54 1.02 -1.25 -0.54 119.74 123.87 3inu s LYS 13 Ca -0.10 1.17 -0.31 0.00 0.02 0.00 0.00 55.97 56.75 3inu s LYS 13 Cb -0.04 -2.15 -0.14 0.00 -0.52 0.00 0.00 37.83 34.98 3inu s LYS 13 CO 0.04 -0.20 1.23 -2.30 -0.92 0.00 0.00 175.35 173.20 3inu n PRO 14 N -0.89 1.64 0.00 -1.68 -0.02 -1.26 0.39 135.00 133.18 3inu n PRO 14 Ca 0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3inu n PRO 14 Cb 0.54 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3inu n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3inu n GLY 15 N 1.74 2.37 1.81 -1.23 0.00 0.57 -4.91 105.19 105.55 3inu n GLY 15 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3inu n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inu n GLY 16 N -2.00 -1.77 3.21 -0.02 0.00 0.16 -3.71 105.19 101.06 3inu n GLY 16 Ca 0.00 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 3inu n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3inu s SER 17 N -3.21 0.20 -0.17 1.61 1.04 -1.26 -1.24 113.70 110.67 3inu s SER 17 Ca 0.36 -0.90 -0.27 0.00 0.48 0.00 0.00 55.95 55.62 3inu s SER 17 Cb -0.02 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.50 3inu s SER 17 CO 0.26 -0.75 0.69 -0.22 0.98 0.00 0.00 173.24 174.19 3inu s LEU 18 N -2.94 -0.64 -0.16 2.42 2.96 -0.14 -4.99 118.68 115.18 3inu s LEU 18 Ca 0.13 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.16 3inu s LEU 18 Cb 0.06 2.44 0.02 0.00 0.50 0.00 0.00 46.19 49.20 3inu s LEU 18 CO -0.05 -0.40 -0.20 -0.60 -1.32 0.00 0.00 176.35 173.78 3inu s ARG 19 N -0.30 2.92 0.10 1.98 3.52 -1.26 -0.59 118.95 125.32 3inu s ARG 19 Ca -0.05 -0.81 -0.06 0.00 -0.13 0.00 0.00 55.73 54.68 3inu s ARG 19 Cb -0.03 -2.45 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 3inu s ARG 19 CO 0.05 -0.12 0.35 -0.51 -0.81 0.00 0.00 175.30 174.26 3inu s LEU 20 N 1.08 4.31 0.04 -0.88 1.43 0.51 -4.36 118.68 120.81 3inu s LEU 20 Ca -0.01 0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 53.71 3inu s LEU 20 Cb -0.14 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 3inu s LEU 20 CO -0.08 0.12 -0.04 -0.94 0.23 0.00 0.00 176.35 175.65 3inu s SER 21 N -2.14 0.43 -0.02 2.29 1.04 -0.74 -1.13 113.70 113.43 3inu s SER 21 Ca 0.36 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 56.09 3inu s SER 21 Cb -0.13 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.14 3inu s SER 21 CO 0.22 -0.41 -0.03 0.00 0.98 0.00 0.00 173.24 173.99 3inu s ALA 23 N 0.54 2.57 0.00 0.00 0.00 0.40 -0.81 121.76 124.47 3inu s ALA 23 Ca -0.06 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 3inu s ALA 23 Cb -0.10 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.75 3inu s ALA 23 CO -0.00 0.14 0.48 0.00 0.00 0.00 0.00 175.76 176.37 3inu s ALA 24 N 0.53 3.62 0.06 0.00 0.00 -0.50 -0.02 121.76 125.46 3inu s ALA 24 Ca -0.09 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 51.80 3inu s ALA 24 Cb -0.16 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 3inu s ALA 24 CO 0.04 0.36 -0.15 -1.54 0.00 0.00 0.00 175.76 174.47 3inu s SER 25 N -0.76 1.77 0.00 0.00 1.04 -0.59 -4.81 113.70 110.35 3inu s SER 25 Ca 0.26 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3inu s SER 25 Cb -0.17 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.87 3inu s SER 25 CO 0.15 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.95 3inu n GLY 26 N 1.47 0.74 3.82 7.32 0.00 -1.23 -1.22 105.19 116.09 3inu n GLY 26 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 3inu n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3inu s PHE 27 N -2.75 -0.00 -0.23 1.61 -0.12 -1.26 -4.66 117.98 110.56 3inu s PHE 27 Ca 0.00 -0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 56.47 3inu s PHE 27 Cb 0.00 0.70 0.02 0.00 -0.63 0.00 0.00 43.02 43.11 3inu s PHE 27 CO 0.00 -0.97 -0.08 0.99 -0.05 0.00 0.00 175.22 175.11 3inu s THR 28 N -2.63 2.82 0.32 -4.49 2.01 -1.26 -4.94 115.64 107.47 3inu s THR 28 Ca 0.17 -0.94 0.10 0.00 0.31 0.00 0.00 61.69 61.33 3inu s THR 28 Cb -0.02 -2.39 0.31 0.00 0.01 0.00 0.00 72.50 70.41 3inu s THR 28 CO 0.05 0.27 1.71 -0.07 -0.69 0.00 0.00 174.62 175.89 3inu h LEU 29 N 8.01 0.59 -1.66 4.42 3.38 -1.91 -2.29 115.31 125.85 3inu h LEU 29 Ca -0.36 0.15 0.35 0.00 0.09 0.00 0.00 57.88 58.11 3inu h LEU 29 Cb 1.12 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 3inu h LEU 29 CO 0.58 0.03 0.82 -0.29 0.09 0.00 0.00 178.44 179.68 3inu h ILE 30 N 0.49 0.37 0.00 1.22 6.09 -1.91 -0.94 117.51 122.84 3inu h ILE 30 Ca 0.66 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 64.09 3inu h ILE 30 Cb 1.32 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.81 3inu h ILE 30 CO -0.52 0.03 -0.12 0.59 -3.07 0.00 0.00 178.15 175.06 3inu n ASN 31 N -4.42 0.77 -4.38 2.19 3.02 -0.86 -4.71 115.26 106.87 3inu n ASN 31 Ca 0.29 0.48 -0.24 0.00 -0.03 0.00 0.00 54.58 55.08 3inu n ASN 31 Cb 1.19 -0.60 -0.11 0.00 -0.61 0.00 0.00 39.78 39.65 3inu n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3inu s TYR 32 N -3.11 2.04 0.04 3.10 1.51 -0.36 -4.94 117.35 115.64 3inu s TYR 32 Ca 0.10 -0.42 -0.25 0.00 -1.01 0.00 0.00 57.07 55.49 3inu s TYR 32 Cb 0.13 -1.00 -0.05 0.00 -0.11 0.00 0.00 41.96 40.92 3inu s TYR 32 CO 0.62 0.43 0.78 0.50 -1.11 0.00 0.00 175.55 176.78 3inu s ARG 33 N -2.84 4.51 -0.03 -0.62 3.52 -1.26 -4.07 118.95 118.16 3inu s ARG 33 Ca 0.19 1.10 0.02 0.00 -0.13 0.00 0.00 55.73 56.91 3inu s ARG 33 Cb -0.06 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 3inu s ARG 33 CO 0.09 0.26 -0.09 -1.64 -0.81 0.00 0.00 175.30 173.11 3inu s MET 34 N 0.02 2.61 0.24 5.12 -1.94 -0.13 -1.29 119.30 123.93 3inu s MET 34 Ca 0.40 -0.65 0.03 0.00 -1.71 0.00 0.00 55.69 53.76 3inu s MET 34 Cb -0.21 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.08 3inu s MET 34 CO 0.23 0.63 0.01 -0.80 -0.01 0.00 0.00 175.02 175.08 3inu s ASN 35 N -1.04 1.86 -0.04 3.03 0.01 -0.12 0.00 114.94 118.64 3inu s ASN 35 Ca 0.14 -1.24 0.06 0.00 -0.71 0.00 0.00 52.86 51.11 3inu s ASN 35 Cb -0.11 0.01 -0.01 0.00 0.41 0.00 0.00 41.25 41.55 3inu s ASN 35 CO 0.04 -0.53 -0.23 0.26 -1.51 0.00 0.00 177.10 175.12 3inu s TRP 36 N -3.42 2.20 0.01 2.20 0.52 -0.05 -1.04 118.94 119.36 3inu s TRP 36 Ca 0.30 -0.59 0.04 0.00 0.02 0.00 0.00 56.10 55.87 3inu s TRP 36 Cb 0.06 -1.44 -0.01 0.00 -1.15 0.00 0.00 33.47 30.92 3inu s TRP 36 CO 0.10 -0.16 -0.12 0.08 0.02 0.00 0.00 176.95 176.87 3inu s VAL 37 N -0.24 0.97 0.23 4.03 1.01 -0.13 -1.19 120.40 125.09 3inu s VAL 37 Ca 0.00 -0.65 0.12 0.00 0.00 0.00 0.00 61.98 61.44 3inu s VAL 37 Cb -0.12 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 3inu s VAL 37 CO 0.02 0.18 -0.22 0.00 0.00 0.00 0.00 175.10 175.08 3inu s ARG 38 N -0.55 1.60 -0.11 2.72 1.70 -0.25 0.47 118.95 124.53 3inu s ARG 38 Ca 0.03 -1.62 -0.04 0.00 -0.47 0.00 0.00 55.73 53.63 3inu s ARG 38 Cb -0.06 -1.83 0.06 0.00 -0.57 0.00 0.00 34.95 32.56 3inu s ARG 38 CO 0.00 0.37 0.23 -1.14 -1.08 0.00 0.00 175.30 173.68 3inu s GLN 39 N -3.03 0.11 0.19 3.89 0.74 0.66 -0.72 119.66 121.50 3inu s GLN 39 Ca 0.25 0.69 -0.19 0.00 0.05 0.00 0.00 55.36 56.16 3inu s GLN 39 Cb -0.07 -0.11 -0.08 0.00 1.10 0.00 0.00 33.01 33.85 3inu s GLN 39 CO 0.12 -0.29 0.68 0.00 -0.55 0.00 0.00 175.29 175.25 3inu s ALA 40 N 2.38 3.47 -0.47 1.58 0.00 -1.26 0.12 121.76 127.58 3inu s ALA 40 Ca 0.02 0.11 -0.40 0.00 0.00 0.00 0.00 51.96 51.68 3inu s ALA 40 Cb -0.12 -2.75 -0.16 0.00 0.00 0.00 0.00 23.12 20.09 3inu s ALA 40 CO -0.08 0.36 2.18 -2.30 0.00 0.00 0.00 175.76 175.93 3inu n PRO 41 N 0.90 0.39 -0.18 0.00 -0.02 -1.26 -0.36 135.00 134.46 3inu n PRO 41 Ca -0.04 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3inu n PRO 41 Cb 0.51 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3inu n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3inu n GLY 42 N 7.11 0.67 0.00 -1.23 0.00 -1.26 -5.05 105.19 105.43 3inu n GLY 42 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3inu n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3inu n LYS 43 N -2.05 1.47 -0.06 1.61 5.02 0.52 -5.16 118.16 119.51 3inu n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3inu n LYS 43 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3inu n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3inu n GLY 44 N 3.15 -0.37 3.62 0.72 0.00 -1.26 -4.63 105.19 106.42 3inu n GLY 44 Ca 0.00 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 3inu n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3inu s LEU 45 N 0.00 3.37 -0.14 0.99 1.43 -1.26 -4.08 118.68 118.99 3inu s LEU 45 Ca 0.00 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3inu s LEU 45 Cb 0.00 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.50 3inu s LEU 45 CO 0.00 0.35 -0.02 -0.70 0.23 0.00 0.00 176.35 176.22 3inu s GLU 46 N -0.74 1.01 0.28 1.70 2.12 0.10 -4.99 118.70 118.17 3inu s GLU 46 Ca 0.11 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 3inu s GLU 46 Cb -0.11 -1.67 -0.11 0.00 0.26 0.00 0.00 34.13 32.49 3inu s GLU 46 CO 0.02 -0.43 1.54 -0.46 -0.54 0.00 0.00 175.26 175.40 3inu s TRP 47 N 1.80 2.84 -0.12 5.30 -0.00 -1.26 -1.09 118.94 126.40 3inu s TRP 47 Ca 0.02 0.87 -0.03 0.00 -0.00 0.00 0.00 56.10 56.96 3inu s TRP 47 Cb -0.14 -3.99 -0.07 0.00 -0.00 0.00 0.00 33.47 29.27 3inu s TRP 47 CO -0.07 -3.28 -0.14 0.28 -0.00 0.00 0.00 176.95 173.74 3inu n VAL 48 N 2.20 0.69 -3.52 5.86 0.31 -0.33 -4.58 118.33 118.96 3inu n VAL 48 Ca 0.08 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 3inu n VAL 48 Cb 0.38 -1.31 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 3inu n VAL 48 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3inu s SER 49 N -5.67 -0.39 0.02 4.52 0.15 -1.03 -0.88 113.70 110.42 3inu s SER 49 Ca -0.17 0.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.59 3inu s SER 49 Cb 0.06 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 3inu s SER 49 CO 0.25 -0.56 0.08 -0.94 1.20 0.00 0.00 173.24 173.27 3inu s SER 50 N -2.03 0.14 0.15 5.45 1.04 -0.46 -0.87 113.70 117.13 3inu s SER 50 Ca 0.02 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.06 3inu s SER 50 Cb -0.01 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 3inu s SER 50 CO -0.05 -0.40 0.16 0.00 0.98 0.00 0.00 173.24 173.93 3inu n ILE 51 N 1.24 0.00 0.11 -1.02 3.06 0.10 -1.50 119.36 121.35 3inu n ILE 51 Ca -0.22 -0.96 -0.23 0.00 -2.50 0.00 0.00 62.75 58.84 3inu n ILE 51 Cb 0.56 0.52 -0.15 0.00 0.54 0.00 0.00 39.64 41.11 3inu n ILE 51 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 3inu h SER 52 N 0.89 0.71 -0.06 9.51 0.87 -1.84 -0.31 113.55 123.32 3inu h SER 52 Ca -0.11 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.52 3inu h SER 52 Cb 0.53 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3inu h SER 52 CO 0.16 1.61 0.00 -1.54 -0.53 0.00 0.00 176.83 176.52 3inu n SER 53 N -3.86 1.97 -0.97 6.23 3.41 -1.26 -4.90 113.62 114.24 3inu n SER 53 Ca -0.16 -1.67 -0.13 0.00 -0.26 0.00 0.00 58.87 56.65 3inu n SER 53 Cb 1.01 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.88 3inu n SER 53 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3inu n SER 54 N 0.53 -4.91 0.10 4.04 7.64 -1.26 -4.89 113.62 114.88 3inu n SER 54 Ca 0.17 0.31 0.12 0.00 1.01 0.00 0.00 58.87 60.49 3inu n SER 54 Cb 0.42 -3.52 0.24 0.00 -1.01 0.00 0.00 64.21 60.33 3inu n SER 54 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3inu h SER 55 N 0.00 0.00 -3.20 6.43 0.02 -1.97 -3.43 113.55 111.40 3inu h SER 55 Ca -0.26 -0.08 -0.46 0.00 -0.84 0.00 0.00 61.79 60.14 3inu h SER 55 Cb 0.95 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.10 3inu h SER 55 CO 0.38 0.04 -0.76 -0.31 -1.14 0.00 0.00 176.83 175.04 3inu s TYR 56 N -3.17 0.56 -0.04 3.45 1.51 -1.26 -5.12 117.35 113.28 3inu s TYR 56 Ca 0.07 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 3inu s TYR 56 Cb 0.11 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 3inu s TYR 56 CO 0.68 -0.46 -0.13 0.42 -1.11 0.00 0.00 175.55 174.95 3inu s ILE 57 N 2.01 1.09 0.06 2.71 1.01 -1.26 -4.33 121.20 122.49 3inu s ILE 57 Ca 0.02 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3inu s ILE 57 Cb -0.15 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3inu s ILE 57 CO -0.07 0.33 -0.07 -1.00 0.00 0.00 0.00 174.94 174.13 3inu s HIS 58 N 0.30 0.72 0.07 3.97 3.76 -0.56 -4.99 115.29 118.56 3inu s HIS 58 Ca -0.07 -0.65 0.04 0.00 -0.15 0.00 0.00 55.06 54.23 3inu s HIS 58 Cb -0.12 -0.43 -0.03 0.00 1.11 0.00 0.00 32.58 33.11 3inu s HIS 58 CO 0.02 -0.12 -0.12 0.71 -0.85 0.00 0.00 174.74 174.38 3inu s TYR 59 N -2.19 1.07 0.63 1.40 1.51 -1.26 -1.35 117.35 117.16 3inu s TYR 59 Ca -0.03 -0.53 -0.16 0.00 -1.01 0.00 0.00 57.07 55.35 3inu s TYR 59 Cb -0.05 -0.60 -0.01 0.00 -0.11 0.00 0.00 41.96 41.19 3inu s TYR 59 CO -0.02 0.02 1.11 0.00 -1.11 0.00 0.00 175.55 175.55 3inu s ALA 60 N -1.66 2.54 0.22 3.71 0.00 -0.06 -4.94 121.76 121.57 3inu s ALA 60 Ca -0.01 0.57 -0.08 0.00 0.00 0.00 0.00 51.96 52.44 3inu s ALA 60 Cb -0.08 -3.31 0.29 0.00 0.00 0.00 0.00 23.12 20.02 3inu s ALA 60 CO 0.01 -1.13 1.78 -0.44 0.00 0.00 0.00 175.76 175.98 3inu h ASP 61 N 0.27 0.42 0.14 0.00 3.45 -1.93 -2.40 116.42 116.37 3inu h ASP 61 Ca -0.47 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.04 3inu h ASP 61 Cb 1.25 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3inu h ASP 61 CO 0.55 0.25 0.00 -1.54 -1.57 0.00 0.00 179.24 176.93 3inu n SER 62 N -4.88 0.12 -0.00 6.45 3.41 -1.26 -2.40 113.62 115.06 3inu n SER 62 Ca 0.10 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 3inu n SER 62 Cb 0.25 -0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3inu n SER 62 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3inu n VAL 63 N -1.66 0.00 -2.08 -3.33 0.31 -0.91 -5.03 118.33 105.63 3inu n VAL 63 Ca 0.01 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.43 3inu n VAL 63 Cb 0.05 1.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.96 3inu n VAL 63 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3inu s LYS 64 N -0.76 4.31 0.00 5.55 1.02 -1.01 -2.16 119.74 126.68 3inu s LYS 64 Ca 0.00 2.23 0.00 0.00 0.02 0.00 0.00 55.97 58.22 3inu s LYS 64 Cb 0.00 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3inu s LYS 64 CO 0.01 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 3inu n GLY 65 N 2.16 2.98 0.01 -3.33 0.00 -1.26 -4.81 105.19 100.94 3inu n GLY 65 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3inu n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3inu n ARG 66 N -0.13 0.60 -4.98 1.61 1.74 -0.92 -4.94 116.66 109.64 3inu n ARG 66 Ca 0.00 -0.17 -0.32 0.00 -0.77 0.00 0.00 57.85 56.59 3inu n ARG 66 Cb 0.00 -1.46 -0.14 0.00 -1.02 0.00 0.00 32.46 29.84 3inu n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3inu s PHE 67 N -3.29 2.64 -0.19 -1.55 0.40 -1.16 -0.71 117.98 114.12 3inu s PHE 67 Ca -0.07 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 3inu s PHE 67 Cb 0.12 -1.66 0.03 0.00 0.51 0.00 0.00 43.02 42.02 3inu s PHE 67 CO 0.79 -0.01 -0.13 0.99 0.70 0.00 0.00 175.22 177.57 3inu s THR 68 N -0.36 1.73 0.15 0.64 2.01 0.37 -4.97 115.64 115.21 3inu s THR 68 Ca 0.03 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 60.99 3inu s THR 68 Cb -0.12 -1.71 -0.07 0.00 0.01 0.00 0.00 72.50 70.61 3inu s THR 68 CO 0.02 0.30 0.49 -0.51 -0.69 0.00 0.00 174.62 174.23 3inu s ILE 69 N 1.38 4.97 0.26 1.82 2.07 -1.26 -0.57 121.20 129.87 3inu s ILE 69 Ca 0.01 0.56 -0.18 0.00 -1.41 0.00 0.00 60.65 59.63 3inu s ILE 69 Cb -0.15 -3.67 0.01 0.00 0.13 0.00 0.00 42.46 38.79 3inu s ILE 69 CO -0.09 0.15 0.61 -0.94 -1.91 0.00 0.00 174.94 172.76 3inu s SER 70 N -1.97 -0.20 -0.06 4.50 1.04 -0.66 -4.99 113.70 111.37 3inu s SER 70 Ca 0.39 -0.70 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 3inu s SER 70 Cb -0.13 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.66 3inu s SER 70 CO 0.20 -1.24 0.21 -0.60 0.98 0.00 0.00 173.24 172.79 3inu s ARG 71 N -3.95 0.34 -0.46 4.02 3.52 -1.26 0.08 118.95 121.23 3inu s ARG 71 Ca 0.15 0.12 0.03 0.00 -0.13 0.00 0.00 55.73 55.90 3inu s ARG 71 Cb -0.03 0.15 0.16 0.00 -1.56 0.00 0.00 34.95 33.67 3inu s ARG 71 CO 0.06 -0.06 0.32 0.34 -0.81 0.00 0.00 175.30 175.16 3inu s ASP 72 N -0.31 2.84 0.24 -2.12 -1.08 0.13 -4.99 116.67 111.39 3inu s ASP 72 Ca -0.04 -2.97 -0.04 0.00 -0.52 0.00 0.00 52.55 48.98 3inu s ASP 72 Cb -0.03 -0.80 0.44 0.00 -1.46 0.00 0.00 42.92 41.07 3inu s ASP 72 CO 0.01 -0.20 1.76 0.78 0.52 0.00 0.00 175.17 178.04 3inu h ASN 73 N 6.07 0.46 -0.60 -0.34 2.35 -1.92 0.47 115.58 122.08 3inu h ASN 73 Ca 0.15 0.08 0.12 0.00 -0.55 0.00 0.00 56.30 56.10 3inu h ASN 73 Cb 0.89 0.01 -0.10 0.00 0.05 0.00 0.00 38.32 39.18 3inu h ASN 73 CO 0.45 0.22 0.04 0.00 -1.65 0.00 0.00 177.43 176.48 3inu h ALA 74 N 1.50 0.63 -0.14 -0.83 0.00 -1.95 -0.80 119.26 117.67 3inu h ALA 74 Ca 0.41 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3inu h ALA 74 Cb 0.53 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3inu h ALA 74 CO -0.33 -0.37 0.00 0.39 0.00 0.00 0.00 179.25 178.94 3inu n GLU 75 N -5.24 1.65 -3.95 0.00 4.71 -0.27 -4.94 120.64 112.60 3inu n GLU 75 Ca 0.09 -0.98 -0.30 0.00 -0.01 0.00 0.00 57.16 55.95 3inu n GLU 75 Cb 0.34 -1.39 -0.01 0.00 -1.01 0.00 0.00 31.44 29.37 3inu n GLU 75 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3inu n ASN 76 N 0.20 -1.83 -4.15 1.62 5.03 -0.00 -4.81 115.26 111.32 3inu n ASN 76 Ca 0.16 -1.09 -0.15 0.00 0.87 0.00 0.00 54.58 54.38 3inu n ASN 76 Cb 0.31 -2.75 -0.11 0.00 -1.02 0.00 0.00 39.78 36.20 3inu n ASN 76 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3inu s SER 77 N -4.05 1.35 -0.01 6.41 0.01 -0.87 -1.41 113.70 115.14 3inu s SER 77 Ca 0.18 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.76 3inu s SER 77 Cb -0.08 0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 3inu s SER 77 CO 0.91 -0.21 -0.13 -0.22 0.41 0.00 0.00 173.24 174.00 3inu s LEU 78 N -2.11 2.03 0.10 2.44 2.96 0.01 0.19 118.68 124.30 3inu s LEU 78 Ca 0.00 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.75 3inu s LEU 78 Cb -0.06 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 3inu s LEU 78 CO 0.00 0.15 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.70 3inu s TYR 79 N -0.32 1.58 -0.16 5.38 1.51 0.11 -0.61 117.35 124.84 3inu s TYR 79 Ca 0.05 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 3inu s TYR 79 Cb -0.05 -0.85 0.05 0.00 -0.11 0.00 0.00 41.96 40.99 3inu s TYR 79 CO -0.00 0.17 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.41 3inu s LEU 80 N -2.02 1.40 -0.36 -1.29 2.96 -0.28 -1.65 118.68 117.44 3inu s LEU 80 Ca 0.05 -0.65 -0.16 0.00 -0.22 0.00 0.00 54.13 53.15 3inu s LEU 80 Cb -0.09 -0.77 -0.00 0.00 0.50 0.00 0.00 46.19 45.82 3inu s LEU 80 CO 0.04 -0.22 0.40 -1.58 -1.32 0.00 0.00 176.35 173.67 3inu s GLN 81 N 1.73 3.48 -0.26 1.98 2.00 0.27 -0.36 119.66 128.49 3inu s GLN 81 Ca 0.01 -0.44 -0.06 0.00 -2.00 0.00 0.00 55.36 52.87 3inu s GLN 81 Cb -0.15 -3.84 -0.01 0.00 0.80 0.00 0.00 33.01 29.81 3inu s GLN 81 CO -0.07 -0.61 0.05 -1.64 -0.50 0.00 0.00 175.29 172.51 3inu s MET 82 N 2.11 3.32 0.29 1.67 -1.94 0.24 -0.48 119.30 124.51 3inu s MET 82 Ca 0.13 -0.69 0.09 0.00 -1.71 0.00 0.00 55.69 53.51 3inu s MET 82 Cb -0.16 -3.27 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 3inu s MET 82 CO 0.12 -0.31 0.05 -0.80 -0.01 0.00 0.00 175.02 174.08 3inu s ASN 82 N 1.53 4.65 -1.25 3.03 0.01 0.11 -0.97 114.94 122.05 3inu s ASN 82 Ca 0.04 -0.66 -0.08 0.00 -0.71 0.00 0.00 52.86 51.45 3inu s ASN 82 Cb -0.16 -0.85 -0.01 0.00 0.41 0.00 0.00 41.25 40.65 3inu s ASN 82 CO 0.01 -0.09 0.69 -0.24 -1.51 0.00 0.00 177.10 175.96 3inu n SER 82 N -0.99 -2.94 -4.79 -1.22 2.88 -0.88 -4.76 113.62 100.91 3inu n SER 82 Ca -0.06 -0.93 -0.36 0.00 -1.33 0.00 0.00 58.87 56.20 3inu n SER 82 Cb 0.60 -3.67 -0.05 0.00 -0.75 0.00 0.00 64.21 60.34 3inu n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3inu s LEU 82 N -6.56 4.10 0.24 2.46 1.43 -0.37 -4.66 118.68 115.32 3inu s LEU 82 Ca 0.21 1.92 0.10 0.00 -1.03 0.00 0.00 54.13 55.33 3inu s LEU 82 Cb -0.07 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3inu s LEU 82 CO 0.84 -0.42 -0.17 -0.13 0.23 0.00 0.00 176.35 176.70 3inu s ARG 83 N -2.64 1.51 0.34 1.70 0.52 -1.26 -0.31 118.95 118.80 3inu s ARG 83 Ca 0.58 -1.68 0.14 0.00 -0.52 0.00 0.00 55.73 54.25 3inu s ARG 83 Cb -0.18 -1.45 1.08 0.00 0.52 0.00 0.00 34.95 34.92 3inu s ARG 83 CO 0.23 0.26 1.64 0.00 0.02 0.00 0.00 175.30 177.45 3inu h ALA 84 N 2.41 1.89 0.00 2.13 0.00 -1.98 0.28 119.26 124.00 3inu h ALA 84 Ca -0.39 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3inu h ALA 84 Cb 1.24 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3inu h ALA 84 CO 0.61 -0.62 0.00 0.39 0.00 0.00 0.00 179.25 179.63 3inu n GLU 85 N -5.12 0.12 0.00 0.00 4.71 -1.26 -1.77 120.64 117.32 3inu n GLU 85 Ca 0.31 0.35 0.14 0.00 -0.01 0.00 0.00 57.16 57.96 3inu n GLU 85 Cb 0.99 -1.72 0.60 0.00 -1.01 0.00 0.00 31.44 30.30 3inu n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3inu n ASP 86 N -1.94 0.97 -4.67 1.62 8.00 0.99 -4.86 116.55 116.65 3inu n ASP 86 Ca 0.03 -1.16 -0.42 0.00 0.71 0.00 0.00 54.79 53.94 3inu n ASP 86 Cb 0.21 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 3inu n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3inu s THR 87 N -2.15 3.23 -0.08 -3.53 2.01 -0.73 -4.89 115.64 109.50 3inu s THR 87 Ca 0.36 0.40 -0.31 0.00 0.31 0.00 0.00 61.69 62.45 3inu s THR 87 Cb 0.21 -3.26 0.12 0.00 0.01 0.00 0.00 72.50 69.58 3inu s THR 87 CO 0.39 -0.03 1.39 0.00 -0.69 0.00 0.00 174.62 175.68 3inu s ALA 88 N 3.80 -2.58 -0.17 7.40 0.00 -0.43 -4.59 121.76 125.19 3inu s ALA 88 Ca 0.79 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 53.10 3inu s ALA 88 Cb -0.38 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 3inu s ALA 88 CO 0.34 -1.11 0.68 0.08 0.00 0.00 0.00 175.76 175.75 3inu s VAL 89 N -2.06 5.00 -0.20 0.00 1.01 0.12 0.32 120.40 124.59 3inu s VAL 89 Ca 0.22 1.32 -0.08 0.00 0.00 0.00 0.00 61.98 63.44 3inu s VAL 89 Cb 0.04 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3inu s VAL 89 CO -0.05 0.12 0.09 -0.31 0.00 0.00 0.00 175.10 174.95 3inu s TYR 90 N 1.76 3.25 -0.08 5.22 1.51 0.39 -0.24 117.35 129.16 3inu s TYR 90 Ca 0.32 0.06 0.01 0.00 -1.01 0.00 0.00 57.07 56.45 3inu s TYR 90 Cb -0.16 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 3inu s TYR 90 CO 0.12 0.09 -0.08 0.71 -1.11 0.00 0.00 175.55 175.27 3inu s TYR 91 N 0.64 2.89 0.11 2.71 2.02 0.18 -0.82 117.35 125.08 3inu s TYR 91 Ca 0.04 -0.11 -0.11 0.00 -0.37 0.00 0.00 57.07 56.52 3inu s TYR 91 Cb -0.13 -1.74 -0.06 0.00 -0.40 0.00 0.00 41.96 39.63 3inu s TYR 91 CO 0.01 0.21 0.46 0.00 -1.57 0.00 0.00 175.55 174.66 3inu s VAL 93 N -1.46 0.05 -0.06 0.00 -7.23 -0.21 -1.19 120.40 110.31 3inu s VAL 93 Ca 0.36 -0.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.92 3inu s VAL 93 Cb -0.14 -0.18 -0.05 0.00 0.56 0.00 0.00 36.38 36.57 3inu s VAL 93 CO 0.19 -0.25 0.41 -0.60 -0.31 0.00 0.00 175.10 174.54 3inu s ARG 94 N -0.75 4.09 0.15 4.82 3.52 0.41 -0.95 118.95 130.24 3inu s ARG 94 Ca -0.08 0.38 -0.17 0.00 -0.13 0.00 0.00 55.73 55.72 3inu s ARG 94 Cb -0.05 -3.31 -0.07 0.00 -1.56 0.00 0.00 34.95 29.95 3inu s ARG 94 CO -0.00 0.47 0.61 -2.00 -0.81 0.00 0.00 175.30 173.57 3inu s GLU 95 N -0.36 4.13 0.98 5.12 2.12 -0.41 -1.65 118.70 128.62 3inu s GLU 95 Ca 0.23 0.68 -0.13 0.00 0.36 0.00 0.00 54.97 56.12 3inu s GLU 95 Cb -0.16 -3.01 0.09 0.00 0.26 0.00 0.00 34.13 31.31 3inu s GLU 95 CO 0.11 0.51 0.60 0.41 -0.54 0.00 0.00 175.26 176.35 3inu n GLY 96 N 1.06 -1.64 0.31 -1.50 0.00 0.14 -4.36 105.19 99.21 3inu n GLY 96 Ca -0.06 -0.78 0.20 0.00 0.00 0.00 0.00 46.02 45.38 3inu n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3inu h PRO 97 N -1.80 0.00 0.00 1.61 0.13 -1.92 -2.44 132.00 127.58 3inu h PRO 97 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3inu h PRO 97 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3inu h PRO 97 CO 0.38 0.01 0.00 0.54 -0.23 0.00 0.00 178.00 178.70 3inu n ARG 98 N -3.16 0.77 -3.58 0.86 1.74 -1.26 -4.72 116.66 107.31 3inu n ARG 98 Ca -0.02 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 3inu n ARG 98 Cb 0.18 -1.39 -0.11 0.00 -1.02 0.00 0.00 32.46 30.12 3inu n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3inu s ALA 99 N -2.00 3.54 0.01 7.54 0.00 -0.92 -4.79 121.76 125.15 3inu s ALA 99 Ca 0.29 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.22 3inu s ALA 99 Cb 0.13 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 3inu s ALA 99 CO 0.22 -0.53 -0.06 0.99 0.00 0.00 0.00 175.76 176.38 3inu s THR 100 N 1.73 0.47 0.00 0.00 2.01 -1.26 -4.32 115.64 114.27 3inu s THR 100 Ca 0.08 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.54 3inu s THR 100 Cb -0.16 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 71.90 3inu s THR 100 CO 0.10 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 3inu n GLY 100 N 2.42 0.30 0.34 4.40 0.00 -1.26 0.14 105.19 111.53 3inu n GLY 100 Ca -0.16 0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3inu n GLY 100 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3inu n TYR 100 N 0.00 0.00 -1.87 1.61 0.18 -1.26 -4.83 117.16 110.99 3inu n TYR 100 Ca 0.00 -1.04 -0.30 0.00 1.88 0.00 0.00 57.90 58.45 3inu n TYR 100 Cb 0.00 -0.17 0.19 0.00 -0.38 0.00 0.00 39.34 38.98 3inu n TYR 100 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 3inu s SER 100 N -2.78 2.94 0.48 9.48 1.04 0.12 -5.02 113.70 119.97 3inu s SER 100 Ca 0.31 0.29 -0.22 0.00 0.48 0.00 0.00 55.95 56.81 3inu s SER 100 Cb 0.29 -0.34 -0.09 0.00 0.10 0.00 0.00 66.02 65.98 3inu s SER 100 CO -0.01 -2.84 0.90 0.23 0.98 0.00 0.00 173.24 172.49 3inu n MET 100 N -3.85 1.07 -1.79 4.02 2.81 -1.26 -4.76 117.12 113.36 3inu n MET 100 Ca 0.15 0.39 -0.30 0.00 -1.81 0.00 0.00 57.70 56.14 3inu n MET 100 Cb 0.59 -1.98 0.08 0.00 -0.71 0.00 0.00 33.22 31.20 3inu n MET 100 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3inu s ALA 100 N -1.41 2.56 0.47 3.04 0.00 -1.26 -4.47 121.76 120.70 3inu s ALA 100 Ca 0.67 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.21 3inu s ALA 100 Cb -0.51 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 3inu s ALA 100 CO 0.54 -1.56 0.03 0.34 0.00 0.00 0.00 175.76 175.12 3inu s ASP 100 N -4.31 3.76 0.48 0.00 3.68 -1.26 -4.82 116.67 114.20 3inu s ASP 100 Ca 0.61 -1.63 -0.20 0.00 2.13 0.00 0.00 52.55 53.46 3inu s ASP 100 Cb -0.12 0.42 -0.09 0.00 -1.45 0.00 0.00 42.92 41.68 3inu s ASP 100 CO 0.51 -0.83 1.03 0.68 0.13 0.00 0.00 175.17 176.69 3inu s VAL 100 N -2.95 3.87 -0.86 1.11 -7.23 -1.26 -4.48 120.40 108.60 3inu s VAL 100 Ca 0.13 1.16 -0.25 0.00 -1.81 0.00 0.00 61.98 61.21 3inu s VAL 100 Cb 0.03 -3.47 0.01 0.00 0.56 0.00 0.00 36.38 33.51 3inu s VAL 100 CO 0.07 -0.25 1.57 -0.36 -0.31 0.00 0.00 175.10 175.82 3inu s PHE 100 N -2.01 2.19 -0.95 2.82 2.99 -1.26 -0.69 117.98 121.07 3inu s PHE 100 Ca 0.67 -0.09 0.20 0.00 0.00 0.00 0.00 56.93 57.71 3inu s PHE 100 Cb -0.15 -4.46 -0.22 0.00 0.00 0.00 0.00 43.02 38.19 3inu s PHE 100 CO 0.19 -1.99 0.86 -0.40 -0.00 0.00 0.00 175.22 173.88 3inu n ASP 101 N 10.63 0.95 -3.72 1.36 5.75 -0.66 -4.85 116.55 126.02 3inu n ASP 101 Ca 0.25 -0.97 -0.15 0.00 -0.01 0.00 0.00 54.79 53.90 3inu n ASP 101 Cb 0.50 1.01 -0.15 0.00 -1.03 0.00 0.00 41.12 41.45 3inu n ASP 101 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3inu s ILE 102 N -2.94 -0.12 -0.04 2.12 1.01 -1.23 -4.98 121.20 115.03 3inu s ILE 102 Ca 0.08 0.26 0.07 0.00 0.00 0.00 0.00 60.65 61.05 3inu s ILE 102 Cb 0.15 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 42.38 3inu s ILE 102 CO 0.84 0.11 -0.24 0.26 0.00 0.00 0.00 174.94 175.91 3inu s TRP 103 N 1.59 2.24 1.00 3.97 0.52 -1.26 -0.45 118.94 126.55 3inu s TRP 103 Ca -0.04 -0.56 -0.14 0.00 0.02 0.00 0.00 56.10 55.39 3inu s TRP 103 Cb -0.12 -1.46 0.19 0.00 -1.15 0.00 0.00 33.47 30.93 3inu s TRP 103 CO -0.05 -0.13 1.12 0.20 0.02 0.00 0.00 176.95 178.11 3inu s GLY 104 N -0.33 1.58 0.25 0.98 0.00 -0.33 -4.63 107.32 104.84 3inu s GLY 104 Ca 0.02 -0.56 0.24 0.00 0.00 0.00 0.00 44.72 44.42 3inu s GLY 104 CO 0.01 0.09 1.72 -1.06 0.00 0.00 0.00 173.10 173.86 3inu n GLN 105 N -4.10 0.20 0.00 2.90 3.00 -1.26 -4.79 117.38 113.33 3inu n GLN 105 Ca 0.07 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 3inu n GLN 105 Cb 0.58 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.96 3inu n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3inu n GLY 106 N 0.13 -0.47 3.02 1.08 0.00 -1.26 -5.04 105.19 102.65 3inu n GLY 106 Ca 0.02 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.28 3inu n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3inu s THR 107 N -2.99 1.28 0.17 2.61 2.01 0.00 -4.92 115.64 113.80 3inu s THR 107 Ca 0.00 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 3inu s THR 107 Cb 0.00 -1.19 -0.07 0.00 0.01 0.00 0.00 72.50 71.24 3inu s THR 107 CO 0.00 0.40 0.94 -0.32 -0.69 0.00 0.00 174.62 174.95 3inu s MET 108 N 1.02 4.76 -0.12 4.92 1.75 -1.26 -0.46 119.30 129.91 3inu s MET 108 Ca -0.07 1.45 0.00 0.00 -1.25 0.00 0.00 55.69 55.82 3inu s MET 108 Cb -0.15 -3.33 0.02 0.00 2.84 0.00 0.00 34.83 34.21 3inu s MET 108 CO -0.01 0.36 -0.11 0.08 -0.65 0.00 0.00 175.02 174.68 3inu s VAL 109 N -0.55 1.30 -0.22 10.11 1.01 0.15 -0.92 120.40 131.27 3inu s VAL 109 Ca 0.44 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3inu s VAL 109 Cb -0.24 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 34.92 3inu s VAL 109 CO 0.31 0.41 -0.12 -0.89 0.00 0.00 0.00 175.10 174.80 3inu s THR 110 N 1.44 2.48 -0.47 3.92 2.01 -0.24 -1.32 115.64 123.46 3inu s THR 110 Ca 0.02 -1.07 -0.17 0.00 0.31 0.00 0.00 61.69 60.78 3inu s THR 110 Cb -0.13 -2.21 0.05 0.00 0.01 0.00 0.00 72.50 70.22 3inu s THR 110 CO -0.07 0.30 0.45 -0.69 -0.69 0.00 0.00 174.62 173.92 3inu s VAL 111 N 1.28 5.12 -0.05 3.82 1.01 -1.26 -0.45 120.40 129.88 3inu s VAL 111 Ca 0.01 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 3inu s VAL 111 Cb -0.16 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.11 3inu s VAL 111 CO -0.08 -0.58 0.31 -0.55 0.00 0.00 0.00 175.10 174.20 3inu s SER 112 N 2.38 -0.23 0.37 3.32 0.15 0.30 -4.43 113.70 115.56 3inu s SER 112 Ca 0.08 0.26 0.27 0.00 0.70 0.00 0.00 55.95 57.27 3inu s SER 112 Cb -0.21 0.43 0.96 0.00 -1.71 0.00 0.00 66.02 65.49 3inu s SER 112 CO 0.10 -0.34 1.79 0.77 1.20 0.00 0.00 173.24 176.76 3inu h SER 113 N 4.45 0.00 -3.54 5.45 4.64 -1.95 -3.33 113.55 119.27 3inu h SER 113 Ca -0.29 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.51 3inu h SER 113 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3inu h SER 113 CO 0.37 0.00 0.15 0.00 -0.87 0.00 0.00 176.83 176.48 3inu s ALA 114 N -3.37 3.43 0.67 5.18 0.00 -1.26 -5.03 121.76 121.38 3inu s ALA 114 Ca 0.05 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 3inu s ALA 114 Cb 0.09 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 3inu s ALA 114 CO 0.53 0.30 1.06 -1.54 0.00 0.00 0.00 175.76 176.11 3inu s SER 115 N -1.34 5.51 0.48 0.00 1.04 -1.26 -4.99 113.70 113.14 3inu s SER 115 Ca 0.39 1.67 -0.21 0.00 0.48 0.00 0.00 55.95 58.28 3inu s SER 115 Cb -0.20 -2.51 -0.08 0.00 0.10 0.00 0.00 66.02 63.33 3inu s SER 115 CO 0.24 -1.36 1.06 0.28 0.98 0.00 0.00 173.24 174.44 3inu s THR 116 N -2.88 3.67 -0.06 2.02 -1.32 -1.26 -4.89 115.64 110.92 3inu s THR 116 Ca 0.59 1.08 0.00 0.00 -1.21 0.00 0.00 61.69 62.16 3inu s THR 116 Cb -0.14 -3.46 0.02 0.00 -1.51 0.00 0.00 72.50 67.41 3inu s THR 116 CO 0.50 -0.18 -0.03 -0.75 -2.21 0.00 0.00 174.62 171.95 3inu s LYS 117 N -3.11 0.76 0.50 7.08 2.20 0.05 -4.95 119.74 122.27 3inu s LYS 117 Ca 0.66 -0.02 -0.19 0.00 -0.36 0.00 0.00 55.97 56.06 3inu s LYS 117 Cb -0.19 -0.91 -0.08 0.00 -1.51 0.00 0.00 37.83 35.14 3inu s LYS 117 CO 0.22 -0.18 1.01 0.20 -0.36 0.00 0.00 175.35 176.25 3inu s GLY 118 N 1.36 2.32 0.67 5.54 0.00 -1.26 -0.95 107.32 115.00 3inu s GLY 118 Ca -0.04 0.44 -0.12 0.00 0.00 0.00 0.00 44.72 45.00 3inu s GLY 118 CO -0.02 0.74 1.06 2.56 0.00 0.00 0.00 173.10 177.43 3inu s PRO 119 N -3.57 3.05 -0.18 2.90 0.05 -1.26 -4.58 135.00 131.42 3inu s PRO 119 Ca 0.64 0.99 -0.09 0.00 0.05 0.00 0.00 61.00 62.59 3inu s PRO 119 Cb -0.14 -2.00 -0.05 0.00 0.05 0.00 0.00 34.50 32.36 3inu s PRO 119 CO 0.24 -1.01 0.13 -1.12 0.05 0.00 0.00 177.00 175.29 3inu s SER 120 N -3.61 6.23 -0.32 6.66 0.01 0.91 -4.87 113.70 118.72 3inu s SER 120 Ca 0.59 0.29 -0.08 0.00 1.31 0.00 0.00 55.95 58.06 3inu s SER 120 Cb -0.14 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 64.02 3inu s SER 120 CO 0.51 0.25 0.12 -0.69 0.41 0.00 0.00 173.24 173.85 3inu s VAL 121 N -0.06 4.25 0.02 3.43 1.01 -1.26 0.09 120.40 127.87 3inu s VAL 121 Ca 0.10 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3inu s VAL 121 Cb -0.11 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3inu s VAL 121 CO -0.00 0.00 -0.09 -0.36 0.00 0.00 0.00 175.10 174.65 3inu s PHE 122 N 1.54 2.82 0.50 5.22 0.40 0.67 -4.96 117.98 124.17 3inu s PHE 122 Ca 0.03 -0.09 -0.19 0.00 -0.60 0.00 0.00 56.93 56.08 3inu s PHE 122 Cb -0.18 -1.57 -0.08 0.00 0.51 0.00 0.00 43.02 41.70 3inu s PHE 122 CO 0.04 0.35 1.04 -1.25 0.70 0.00 0.00 175.22 176.10 3inu s PRO 123 N -1.46 3.73 -0.63 0.24 0.04 -1.26 -0.34 135.00 135.32 3inu s PRO 123 Ca 0.17 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 3inu s PRO 123 Cb -0.11 -2.09 0.16 0.00 0.04 0.00 0.00 34.50 32.51 3inu s PRO 123 CO 0.07 -0.49 0.44 -0.51 0.04 0.00 0.00 177.00 176.56 3inu s LEU 124 N -3.65 5.26 0.06 -3.56 1.43 0.34 -4.71 118.68 113.86 3inu s LEU 124 Ca 0.67 -2.85 -0.31 0.00 -1.03 0.00 0.00 54.13 50.61 3inu s LEU 124 Cb -0.16 -1.86 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 3inu s LEU 124 CO 0.23 -0.37 1.44 0.00 0.23 0.00 0.00 176.35 177.88 3inu s ALA 125 N -0.05 3.61 0.45 4.21 0.00 -1.26 -1.98 121.76 126.74 3inu s ALA 125 Ca 0.17 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.92 3inu s ALA 125 Cb -0.20 -3.59 -0.08 0.00 0.00 0.00 0.00 23.12 19.25 3inu s ALA 125 CO -0.03 -0.83 1.43 -1.25 0.00 0.00 0.00 175.76 175.07 3inu s PRO 126 N 1.91 3.68 0.27 0.00 0.04 -1.26 -4.89 135.00 134.75 3inu s PRO 126 Ca 0.66 2.41 -0.07 0.00 0.04 0.00 0.00 61.00 64.04 3inu s PRO 126 Cb -0.35 -2.65 0.03 0.00 0.04 0.00 0.00 34.50 31.57 3inu s PRO 126 CO 0.29 -0.82 0.49 -1.13 0.04 0.00 0.00 177.00 175.87 3inu n SER 127 N -0.20 -1.41 0.14 6.66 3.41 -1.26 -1.61 113.62 119.34 3inu n SER 127 Ca 0.05 -2.24 0.11 0.00 -0.26 0.00 0.00 58.87 56.53 3inu n SER 127 Cb 0.42 2.43 0.51 0.00 -0.26 0.00 0.00 64.21 67.31 3inu n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3inu n SER 128 N -1.52 0.59 -0.89 4.04 3.41 -1.26 -1.51 113.62 116.48 3inu n SER 128 Ca -0.04 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 3inu n SER 128 Cb 0.43 -0.80 0.23 0.00 -0.26 0.00 0.00 64.21 63.81 3inu n SER 128 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3inu n LYS 129 N -2.21 2.21 -0.58 4.33 5.02 -1.26 -3.71 118.16 121.96 3inu n LYS 129 Ca 0.01 -1.78 0.06 0.00 -2.02 0.00 0.00 58.31 54.58 3inu n LYS 129 Cb 0.14 -1.47 0.16 0.00 -0.02 0.00 0.00 35.03 33.84 3inu n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3inu n SER 130 N 1.08 1.70 -4.19 4.39 3.41 -0.57 -5.03 113.62 114.41 3inu n SER 130 Ca 0.17 -3.40 -0.29 0.00 -0.26 0.00 0.00 58.87 55.09 3inu n SER 130 Cb 0.53 -0.46 -0.16 0.00 -0.26 0.00 0.00 64.21 63.85 3inu n SER 130 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3inu s THR 131 N -2.62 1.72 -0.04 6.66 2.01 -1.16 0.89 115.64 123.09 3inu s THR 131 Ca 0.34 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 3inu s THR 131 Cb 0.33 -1.47 0.03 0.00 0.01 0.00 0.00 72.50 71.40 3inu s THR 131 CO -0.06 0.49 0.01 -0.55 -0.69 0.00 0.00 174.62 173.82 3inu s SER 132 N 0.02 0.96 1.22 3.53 0.15 -0.03 -5.00 113.70 114.55 3inu s SER 132 Ca -0.06 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.57 3inu s SER 132 Cb -0.13 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 3inu s SER 132 CO 0.04 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3inu n GLY 133 N 4.71 3.30 0.08 9.45 0.00 -1.26 -1.62 105.19 119.84 3inu n GLY 133 Ca -0.15 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3inu n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inu n GLY 134 N 0.00 -1.08 3.58 -0.02 0.00 -1.26 -4.91 105.19 101.50 3inu n GLY 134 Ca 0.00 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 3inu n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3inu s THR 137 N -2.78 3.63 0.05 2.61 -4.23 -0.64 0.11 115.64 114.39 3inu s THR 137 Ca 0.18 -0.64 0.09 0.00 -1.18 0.00 0.00 61.69 60.14 3inu s THR 137 Cb 0.19 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 3inu s THR 137 CO 0.59 0.50 -0.25 0.00 -0.54 0.00 0.00 174.62 174.91 3inu s ALA 138 N -0.90 2.33 -0.17 3.99 0.00 0.17 -0.85 121.76 126.34 3inu s ALA 138 Ca 0.15 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.75 3inu s ALA 138 Cb -0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3inu s ALA 138 CO 0.04 0.54 0.09 0.00 0.00 0.00 0.00 175.76 176.43 3inu s ALA 139 N -0.85 3.55 0.24 0.00 0.00 0.26 -0.86 121.76 124.09 3inu s ALA 139 Ca 0.12 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3inu s ALA 139 Cb -0.10 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 3inu s ALA 139 CO 0.03 0.29 0.10 -0.48 0.00 0.00 0.00 175.76 175.69 3inu s LEU 140 N 0.01 1.57 0.00 0.00 0.05 -0.66 -4.09 118.68 115.56 3inu s LEU 140 Ca 0.07 -1.37 0.00 0.00 0.05 0.00 0.00 54.13 52.88 3inu s LEU 140 Cb -0.12 0.09 0.00 0.00 -2.05 0.00 0.00 46.19 44.11 3inu s LEU 140 CO 0.00 -0.74 0.00 0.61 -0.55 0.00 0.00 176.35 175.67 3inu n GLY 141 N -0.41 -1.28 3.20 -3.48 0.00 -0.84 -0.55 105.19 101.83 3inu n GLY 141 Ca -0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 3inu n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inu s LEU 143 N -0.29 4.04 -0.47 0.00 2.96 0.54 -1.08 118.68 124.39 3inu s LEU 143 Ca 0.03 0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 54.01 3inu s LEU 143 Cb -0.10 -2.27 0.12 0.00 0.50 0.00 0.00 46.19 44.44 3inu s LEU 143 CO 0.01 -0.10 0.33 -0.69 -1.32 0.00 0.00 176.35 174.58 3inu s VAL 144 N 1.83 4.12 -0.07 1.68 1.01 0.84 -0.24 120.40 129.58 3inu s VAL 144 Ca 0.11 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.28 3inu s VAL 144 Cb -0.16 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3inu s VAL 144 CO 0.10 -0.77 -0.09 -0.75 0.00 0.00 0.00 175.10 173.59 3inu s LYS 145 N 1.33 2.73 -0.76 2.72 2.20 0.11 -1.34 119.74 126.73 3inu s LYS 145 Ca 0.06 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 55.08 3inu s LYS 145 Cb -0.26 -2.55 -0.01 0.00 -1.51 0.00 0.00 37.83 33.50 3inu s LYS 145 CO -0.01 0.63 0.71 -0.25 -0.36 0.00 0.00 175.35 176.07 3inu n ASP 146 N 2.31 -7.65 -4.28 1.43 8.00 -0.53 -0.06 116.55 115.78 3inu n ASP 146 Ca -0.18 -0.13 -0.16 0.00 0.71 0.00 0.00 54.79 55.03 3inu n ASP 146 Cb 0.53 -5.27 -0.10 0.00 -0.02 0.00 0.00 41.12 36.26 3inu n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3inu s TYR 147 N -3.04 1.43 -0.26 1.24 1.13 -0.23 -4.21 117.35 113.40 3inu s TYR 147 Ca 0.04 -0.67 -0.20 0.00 -1.41 0.00 0.00 57.07 54.84 3inu s TYR 147 Cb -0.01 -0.71 0.07 0.00 -1.10 0.00 0.00 41.96 40.22 3inu s TYR 147 CO 0.74 0.18 0.68 0.12 -2.51 0.00 0.00 175.55 174.76 3inu s PHE 148 N -3.02 -0.89 0.00 -3.49 5.36 -0.13 -0.42 117.98 115.40 3inu s PHE 148 Ca 0.17 1.95 0.00 0.00 -0.96 0.00 0.00 56.93 58.09 3inu s PHE 148 Cb 0.00 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.11 3inu s PHE 148 CO 0.03 -0.44 0.00 -0.35 -1.46 0.00 0.00 175.22 173.00 3inu n PRO 149 N 3.50 1.57 -1.36 10.12 -0.04 -1.26 -0.77 135.00 146.76 3inu n PRO 149 Ca -0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.98 3inu n PRO 149 Cb 0.57 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.11 3inu n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3inu s GLU 150 N -0.26 2.44 0.48 0.54 0.41 -1.26 -4.76 118.70 116.29 3inu s GLU 150 Ca 0.00 1.13 0.08 0.00 -0.41 0.00 0.00 54.97 55.78 3inu s GLU 150 Cb 0.00 -1.92 0.03 0.00 -1.78 0.00 0.00 34.13 30.46 3inu s GLU 150 CO 0.00 -1.50 0.58 -1.25 -0.49 0.00 0.00 175.26 172.60 3inu s PRO 151 N -4.88 2.53 -0.03 0.39 0.04 -1.26 -4.93 135.00 126.86 3inu s PRO 151 Ca 0.61 -1.53 0.05 0.00 0.04 0.00 0.00 61.00 60.17 3inu s PRO 151 Cb -0.17 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 3inu s PRO 151 CO 0.55 -0.48 -0.17 0.08 0.04 0.00 0.00 177.00 177.02 3inu s VAL 152 N -2.53 1.39 -0.02 -0.36 1.01 -1.26 -4.57 120.40 114.06 3inu s VAL 152 Ca 0.53 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3inu s VAL 152 Cb -0.06 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3inu s VAL 152 CO 0.32 0.40 0.02 0.42 0.00 0.00 0.00 175.10 176.26 3inu s THR 153 N -0.15 4.31 -0.10 3.92 -4.23 -0.15 -4.95 115.64 114.28 3inu s THR 153 Ca 0.01 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 3inu s THR 153 Cb -0.09 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.86 3inu s THR 153 CO 0.01 0.41 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.73 3inu s VAL 154 N -1.07 0.98 0.26 2.29 1.01 -1.26 -1.10 120.40 121.52 3inu s VAL 154 Ca 0.19 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.97 3inu s VAL 154 Cb -0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 3inu s VAL 154 CO 0.09 0.35 -0.15 -0.94 0.00 0.00 0.00 175.10 174.46 3inu s SER 156 N 1.45 3.09 -0.11 3.32 1.04 -0.71 -4.94 113.70 116.83 3inu s SER 156 Ca -0.00 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.38 3inu s SER 156 Cb -0.13 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 3inu s SER 156 CO -0.05 -0.12 -0.16 0.26 0.98 0.00 0.00 173.24 174.15 3inu s TRP 157 N -2.77 2.73 -1.30 5.02 0.52 -1.26 0.30 118.94 122.19 3inu s TRP 157 Ca 0.27 -0.67 -0.17 0.00 0.02 0.00 0.00 56.10 55.56 3inu s TRP 157 Cb -0.01 -1.78 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 3inu s TRP 157 CO 0.12 -0.21 0.52 0.09 0.02 0.00 0.00 176.95 177.49 3inu n ASN 162 N 3.36 -2.59 -4.00 2.95 3.02 0.62 -1.85 115.26 116.78 3inu n ASN 162 Ca -0.18 -1.15 -0.32 0.00 -0.03 0.00 0.00 54.58 52.89 3inu n ASN 162 Cb 0.53 -2.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.27 3inu n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3inu n SER 163 N -2.62 -4.14 0.00 6.41 7.64 -1.26 -0.27 113.62 119.38 3inu n SER 163 Ca -0.19 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 58.84 3inu n SER 163 Cb 0.62 -3.34 0.00 0.00 -1.01 0.00 0.00 64.21 60.48 3inu n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3inu n GLY 164 N -1.52 3.29 0.22 0.23 0.00 -0.77 -4.92 105.19 101.71 3inu n GLY 164 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 3inu n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inu h ALA 165 N 0.00 0.68 -2.61 4.61 0.00 -0.52 -3.40 119.26 118.03 3inu h ALA 165 Ca 0.00 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 3inu h ALA 165 Cb 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 17.79 17.46 3inu h ALA 165 CO 0.00 0.06 -0.18 -1.17 0.00 0.00 0.00 179.25 177.97 3inu s LEU 166 N -10.18 4.22 0.00 0.00 2.96 -0.97 -4.86 118.68 109.85 3inu s LEU 166 Ca -0.13 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3inu s LEU 166 Cb 0.13 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.35 3inu s LEU 166 CO 0.74 -0.31 0.00 0.35 -1.32 0.00 0.00 176.35 175.81 3inu n THR 167 N 5.23 0.00 -2.62 3.68 -2.24 -1.26 -4.08 114.28 112.99 3inu n THR 167 Ca -0.07 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 3inu n THR 167 Cb 0.50 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 3inu n THR 167 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3inu s SER 168 N -1.29 7.37 0.00 3.42 0.01 -1.26 -2.97 113.70 118.98 3inu s SER 168 Ca 0.00 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.20 3inu s SER 168 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3inu s SER 168 CO 0.00 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.11 3inu n GLY 169 N 2.20 1.78 3.70 3.44 0.00 -1.26 -4.67 105.19 110.38 3inu n GLY 169 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3inu n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3inu s VAL 171 N -2.76 3.82 -0.25 1.61 1.01 -1.16 -2.81 120.40 119.85 3inu s VAL 171 Ca 0.00 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.22 3inu s VAL 171 Cb 0.00 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.66 3inu s VAL 171 CO 0.00 0.03 -0.04 -1.00 0.00 0.00 0.00 175.10 174.09 3inu s HIS 172 N 1.97 2.54 -0.28 5.22 3.76 0.24 -4.99 115.29 123.76 3inu s HIS 172 Ca 0.61 -1.92 -0.10 0.00 -0.15 0.00 0.00 55.06 53.51 3inu s HIS 172 Cb -0.30 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 3inu s HIS 172 CO 0.26 -0.81 0.16 0.99 -0.85 0.00 0.00 174.74 174.50 3inu s THR 173 N 1.34 5.01 0.44 1.30 2.01 -1.26 -0.27 115.64 124.21 3inu s THR 173 Ca -0.03 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 3inu s THR 173 Cb -0.19 -3.40 -0.07 0.00 0.01 0.00 0.00 72.50 68.86 3inu s THR 173 CO -0.08 0.25 0.84 -0.36 -0.69 0.00 0.00 174.62 174.58 3inu s PHE 174 N 1.71 3.46 0.33 4.92 0.08 -0.07 -4.99 117.98 123.42 3inu s PHE 174 Ca 0.07 1.18 -0.29 0.00 0.12 0.00 0.00 56.93 58.01 3inu s PHE 174 Cb -0.16 -2.56 -0.11 0.00 -0.57 0.00 0.00 43.02 39.63 3inu s PHE 174 CO 0.09 -0.19 1.42 -2.14 -0.10 0.00 0.00 175.22 174.30 3inu s PRO 175 N -3.91 4.23 0.48 0.24 0.02 -1.26 -4.49 135.00 130.31 3inu s PRO 175 Ca 0.54 2.39 -0.24 0.00 0.02 0.00 0.00 61.00 63.71 3inu s PRO 175 Cb -0.10 -3.04 -0.08 0.00 0.02 0.00 0.00 34.50 31.31 3inu s PRO 175 CO 0.31 -0.39 1.29 0.00 -0.33 0.00 0.00 177.00 177.88 3inu n ALA 176 N 1.06 1.37 -2.54 -1.55 0.00 -1.26 -4.83 120.51 112.76 3inu n ALA 176 Ca 0.02 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.35 3inu n ALA 176 Cb 0.40 -2.29 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 3inu n ALA 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3inu s VAL 177 N -1.25 3.25 -0.06 0.00 -7.23 0.29 -4.94 120.40 110.45 3inu s VAL 177 Ca 0.65 -1.13 -0.24 0.00 -1.81 0.00 0.00 61.98 59.45 3inu s VAL 177 Cb -0.46 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 3inu s VAL 177 CO 0.54 0.25 0.72 -0.22 -0.31 0.00 0.00 175.10 176.09 3inu s LEU 178 N -1.78 4.32 0.00 1.32 2.96 -1.26 -1.49 118.68 122.75 3inu s LEU 178 Ca 0.18 1.23 -0.02 0.00 -0.22 0.00 0.00 54.13 55.30 3inu s LEU 178 Cb -0.11 -3.12 0.07 0.00 0.50 0.00 0.00 46.19 43.53 3inu s LEU 178 CO 0.10 -0.13 0.48 0.00 -1.32 0.00 0.00 176.35 175.47 3inu n GLN 179 N 3.79 0.08 0.10 1.98 6.02 -0.02 -4.97 117.38 124.35 3inu n GLN 179 Ca -0.01 -1.12 -0.03 0.00 -0.01 0.00 0.00 57.00 55.83 3inu n GLN 179 Cb 0.51 -0.37 0.01 0.00 1.02 0.00 0.00 30.24 31.41 3inu n GLN 179 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3inu h SER 180 N -0.39 0.00 0.29 1.08 0.02 -1.97 -2.88 113.55 109.69 3inu h SER 180 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3inu h SER 180 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3inu h SER 180 CO 0.15 0.79 0.00 -1.54 -1.14 0.00 0.00 176.83 175.09 3inu n SER 182 N -3.47 0.27 0.00 3.07 3.41 -1.26 -4.82 113.62 110.82 3inu n SER 182 Ca -0.00 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3inu n SER 182 Cb 0.80 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3inu n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3inu n GLY 183 N -0.74 0.72 3.95 5.00 0.00 -1.09 -5.04 105.19 107.98 3inu n GLY 183 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3inu n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3inu s LEU 184 N 0.00 4.15 0.24 0.99 1.43 -1.26 -4.85 118.68 119.37 3inu s LEU 184 Ca 0.00 0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 53.34 3inu s LEU 184 Cb 0.00 -3.14 -0.07 0.00 0.03 0.00 0.00 46.19 43.01 3inu s LEU 184 CO 0.00 -0.17 0.53 -0.31 0.23 0.00 0.00 176.35 176.63 3inu s TYR 185 N -2.12 3.44 0.02 0.29 1.51 0.44 -0.84 117.35 120.09 3inu s TYR 185 Ca 0.38 0.78 0.01 0.00 -1.01 0.00 0.00 57.07 57.23 3inu s TYR 185 Cb -0.10 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 3inu s TYR 185 CO 0.32 0.26 -0.03 0.45 -1.11 0.00 0.00 175.55 175.44 3inu s SER 186 N -2.57 0.32 -0.07 2.29 0.15 -0.56 -1.07 113.70 112.19 3inu s SER 186 Ca 0.46 -0.37 -0.20 0.00 0.70 0.00 0.00 55.95 56.53 3inu s SER 186 Cb -0.11 0.06 0.04 0.00 -1.71 0.00 0.00 66.02 64.30 3inu s SER 186 CO 0.24 -0.19 0.47 -0.22 1.20 0.00 0.00 173.24 174.74 3inu s LEU 187 N -1.07 0.19 0.03 3.45 0.20 -0.45 -0.55 118.68 120.48 3inu s LEU 187 Ca -0.10 0.54 0.04 0.00 0.69 0.00 0.00 54.13 55.29 3inu s LEU 187 Cb -0.07 1.77 -0.02 0.00 -0.43 0.00 0.00 46.19 47.44 3inu s LEU 187 CO -0.00 -0.42 -0.11 -0.94 -0.29 0.00 0.00 176.35 174.59 3inu s SER 188 N -0.83 1.28 -0.11 3.68 1.04 -1.26 -0.11 113.70 117.39 3inu s SER 188 Ca -0.09 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 55.95 3inu s SER 188 Cb -0.03 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.03 3inu s SER 188 CO 0.05 -0.02 -0.21 -0.55 0.98 0.00 0.00 173.24 173.49 3inu s SER 189 N -1.08 2.85 0.16 7.02 0.15 -0.24 -0.89 113.70 121.67 3inu s SER 189 Ca -0.01 -0.53 0.10 0.00 0.70 0.00 0.00 55.95 56.21 3inu s SER 189 Cb -0.07 -1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.89 3inu s SER 189 CO 0.01 0.10 -0.22 0.68 1.20 0.00 0.00 173.24 175.01 3inu s VAL 190 N 0.63 2.01 0.08 4.45 -7.23 0.62 -0.43 120.40 120.54 3inu s VAL 190 Ca -0.13 -1.85 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 3inu s VAL 190 Cb -0.16 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 3inu s VAL 190 CO 0.03 -0.15 -0.14 0.54 -0.31 0.00 0.00 175.10 175.07 3inu s VAL 191 N -1.62 1.13 -0.10 1.32 0.11 0.29 0.83 120.40 122.35 3inu s VAL 191 Ca 0.15 -1.35 0.01 0.00 -2.93 0.00 0.00 61.98 57.86 3inu s VAL 191 Cb -0.08 -1.12 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 3inu s VAL 191 CO 0.07 -0.25 -0.13 0.42 -3.33 0.00 0.00 175.10 171.88 3inu s THR 192 N -1.37 3.10 0.07 5.04 -4.23 -1.12 -1.66 115.64 115.47 3inu s THR 192 Ca -0.01 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.82 3inu s THR 192 Cb -0.09 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 3inu s THR 192 CO 0.02 0.55 -0.01 0.68 -0.54 0.00 0.00 174.62 175.32 3inu s VAL 193 N -0.05 0.21 0.14 2.29 -7.23 -0.04 -4.65 120.40 111.06 3inu s VAL 193 Ca -0.03 -1.84 -0.31 0.00 -1.81 0.00 0.00 61.98 57.99 3inu s VAL 193 Cb -0.14 -1.65 -0.10 0.00 0.56 0.00 0.00 36.38 35.04 3inu s VAL 193 CO 0.04 -0.87 1.76 -2.84 -0.31 0.00 0.00 175.10 172.88 3inu s PRO 194 N -3.95 4.15 0.29 4.82 0.02 -1.26 0.46 135.00 139.53 3inu s PRO 194 Ca 0.11 2.55 0.03 0.00 0.02 0.00 0.00 61.00 63.71 3inu s PRO 194 Cb 0.08 -3.43 0.71 0.00 0.02 0.00 0.00 34.50 31.88 3inu s PRO 194 CO -0.07 -0.79 1.70 0.77 -0.33 0.00 0.00 177.00 178.28 3inu h SER 195 N 7.96 0.32 -1.03 2.53 0.02 0.48 -1.05 113.55 122.79 3inu h SER 195 Ca -0.45 0.15 0.26 0.00 -0.84 0.00 0.00 61.79 60.92 3inu h SER 195 Cb 1.21 0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.79 3inu h SER 195 CO 0.95 0.00 0.66 0.77 -1.14 0.00 0.00 176.83 178.07 3inu h SER 196 N 0.40 0.44 0.71 3.07 4.64 -1.90 -0.88 113.55 120.02 3inu h SER 196 Ca 0.55 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 3inu h SER 196 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3inu h SER 196 CO -0.52 0.10 -0.18 -1.54 -0.87 0.00 0.00 176.83 173.81 3inu n SER 197 N -4.60 0.25 -0.37 4.97 3.41 -0.40 -4.32 113.62 112.56 3inu n SER 197 Ca 0.25 0.04 0.05 0.00 -0.26 0.00 0.00 58.87 58.95 3inu n SER 197 Cb 0.86 -0.17 0.21 0.00 -0.26 0.00 0.00 64.21 64.85 3inu n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3inu h LEU 198 N 0.10 0.98 -0.16 1.04 3.38 -1.21 0.25 115.31 119.69 3inu h LEU 198 Ca 0.00 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 3inu h LEU 198 Cb 0.47 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3inu h LEU 198 CO 0.00 0.56 -0.71 1.23 0.09 0.00 0.00 178.44 179.61 3inu h GLY 199 N 1.07 0.00 0.00 0.83 0.00 -1.80 -3.38 103.07 99.79 3inu h GLY 199 Ca 0.47 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.47 3inu h GLY 199 CO -0.23 0.00 -2.26 -0.37 0.00 0.00 0.00 176.54 173.68 3inu n THR 200 N -3.36 1.27 -3.07 4.70 5.66 -0.80 -4.93 114.28 113.76 3inu n THR 200 Ca 0.01 -0.58 -0.40 0.00 -3.05 0.00 0.00 64.05 60.02 3inu n THR 200 Cb 0.79 -1.03 -0.05 0.00 -1.55 0.00 0.00 70.33 68.49 3inu n THR 200 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3inu s GLN 203 N -2.44 4.37 0.04 1.09 -1.52 0.80 -5.05 119.66 116.95 3inu s GLN 203 Ca -0.23 0.80 -0.29 0.00 -1.95 0.00 0.00 55.36 53.69 3inu s GLN 203 Cb 0.07 -3.49 -0.04 0.00 -0.22 0.00 0.00 33.01 29.33 3inu s GLN 203 CO 0.59 -0.04 0.95 0.99 -0.25 0.00 0.00 175.29 177.54 3inu s THR 205 N 1.17 4.72 -0.22 -0.19 2.01 -1.26 -4.78 115.64 117.09 3inu s THR 205 Ca 0.35 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.38 3inu s THR 205 Cb -0.17 -4.30 0.04 0.00 0.01 0.00 0.00 72.50 68.08 3inu s THR 205 CO 0.15 0.24 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.85 3inu s TYR 206 N 0.53 3.00 -0.04 4.92 2.02 -1.26 -4.96 117.35 121.56 3inu s TYR 206 Ca 0.49 -1.96 0.05 0.00 -0.37 0.00 0.00 57.07 55.28 3inu s TYR 206 Cb -0.22 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.41 3inu s TYR 206 CO 0.28 -0.84 -0.20 0.42 -1.57 0.00 0.00 175.55 173.64 3inu s ILE 207 N 1.20 1.61 -0.13 2.71 1.01 -1.26 0.24 121.20 126.58 3inu s ILE 207 Ca -0.01 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 3inu s ILE 207 Cb -0.16 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3inu s ILE 207 CO -0.09 0.46 0.10 0.00 0.00 0.00 0.00 174.94 175.40 3inu s ASN 209 N -0.65 5.67 -0.22 0.00 -0.87 0.15 -1.53 114.94 117.49 3inu s ASN 209 Ca 0.12 -1.52 -0.12 0.00 -1.57 0.00 0.00 52.86 49.77 3inu s ASN 209 Cb -0.12 -2.00 -0.05 0.00 -0.02 0.00 0.00 41.25 39.07 3inu s ASN 209 CO 0.02 -0.55 0.23 -0.69 -2.57 0.00 0.00 177.10 173.55 3inu s VAL 210 N 1.43 5.31 -0.12 1.60 1.01 0.90 -1.74 120.40 128.79 3inu s VAL 210 Ca 0.03 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.40 3inu s VAL 210 Cb -0.23 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3inu s VAL 210 CO 0.02 0.33 -0.23 0.21 0.00 0.00 0.00 175.10 175.43 3inu s ASN 211 N 0.95 3.11 -0.43 3.32 2.47 -0.26 -0.38 114.94 123.72 3inu s ASN 211 Ca 0.11 -0.58 0.02 0.00 0.42 0.00 0.00 52.86 52.84 3inu s ASN 211 Cb -0.14 -1.43 0.12 0.00 -1.45 0.00 0.00 41.25 38.36 3inu s ASN 211 CO 0.05 0.12 0.20 -2.28 -3.72 0.00 0.00 177.10 171.47 3inu s HIS 212 N 0.55 2.47 0.16 0.43 5.65 0.91 -0.97 115.29 124.49 3inu s HIS 212 Ca -0.14 -2.59 -0.16 0.00 0.25 0.00 0.00 55.06 52.43 3inu s HIS 212 Cb -0.17 -2.23 0.10 0.00 -1.18 0.00 0.00 32.58 29.10 3inu s HIS 212 CO 0.04 -0.81 1.72 0.87 -0.65 0.00 0.00 174.74 175.92 3inu h LYS 213 N 6.99 0.19 -0.78 2.88 1.57 -1.80 -1.66 116.57 123.95 3inu h LYS 213 Ca -0.05 -0.01 0.22 0.00 -1.87 0.00 0.00 60.65 58.94 3inu h LYS 213 Cb 0.94 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 3inu h LYS 213 CO 0.54 0.12 0.56 -1.35 -0.57 0.00 0.00 179.45 178.75 3inu h PRO 214 N 0.19 0.04 -0.20 3.15 0.11 -1.93 0.56 132.00 133.92 3inu h PRO 214 Ca 0.19 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3inu h PRO 214 Cb 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3inu h PRO 214 CO -0.25 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 176.43 3inu n SER 215 N -4.32 2.44 -3.71 -2.05 3.41 -1.10 -4.93 113.62 103.36 3inu n SER 215 Ca 0.16 -1.84 -0.23 0.00 -0.26 0.00 0.00 58.87 56.71 3inu n SER 215 Cb 0.83 -0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.69 3inu n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3inu n ASN 216 N 0.31 -2.12 -4.36 4.04 4.13 0.19 -4.89 115.26 112.56 3inu n ASN 216 Ca 0.08 -0.78 -0.37 0.00 1.68 0.00 0.00 54.58 55.19 3inu n ASN 216 Cb 0.34 -4.18 -0.13 0.00 -1.54 0.00 0.00 39.78 34.27 3inu n ASN 216 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3inu s THR 217 N -3.56 3.97 -0.24 3.41 2.01 -0.67 -5.00 115.64 115.55 3inu s THR 217 Ca 0.14 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.59 3inu s THR 217 Cb -0.07 -2.99 0.06 0.00 0.01 0.00 0.00 72.50 69.51 3inu s THR 217 CO 0.80 0.16 -0.08 -0.75 -0.69 0.00 0.00 174.62 174.06 3inu s LYS 218 N 1.52 1.94 -0.02 4.92 2.20 -1.26 -0.06 119.74 128.98 3inu s LYS 218 Ca 0.04 -1.14 0.07 0.00 -0.36 0.00 0.00 55.97 54.58 3inu s LYS 218 Cb -0.16 -2.71 -0.02 0.00 -1.51 0.00 0.00 37.83 33.42 3inu s LYS 218 CO 0.02 -0.57 -0.24 0.08 -0.36 0.00 0.00 175.35 174.28 3inu s VAL 219 N 1.26 1.90 -0.48 4.02 1.01 0.49 -4.99 120.40 123.62 3inu s VAL 219 Ca -0.07 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.92 3inu s VAL 219 Cb -0.19 -1.58 0.13 0.00 0.00 0.00 0.00 36.38 34.74 3inu s VAL 219 CO -0.06 0.54 0.24 -1.81 0.00 0.00 0.00 175.10 174.01 3inu s ASP 220 N -0.53 4.05 -0.13 3.32 -0.00 -1.26 -0.07 116.67 122.06 3inu s ASP 220 Ca 0.08 -2.80 -0.19 0.00 -0.00 0.00 0.00 52.55 49.65 3inu s ASP 220 Cb -0.10 -1.38 -0.04 0.00 -0.00 0.00 0.00 42.92 41.41 3inu s ASP 220 CO -0.01 -0.25 0.52 -0.75 -0.00 0.00 0.00 175.17 174.68 3inu s LYS 221 N 0.05 4.33 -0.05 8.23 2.47 -0.58 -4.90 119.74 129.29 3inu s LYS 221 Ca 0.17 0.52 -0.21 0.00 -1.56 0.00 0.00 55.97 54.89 3inu s LYS 221 Cb -0.25 -3.46 -0.04 0.00 -1.46 0.00 0.00 37.83 32.61 3inu s LYS 221 CO -0.01 0.08 0.61 0.21 0.16 0.00 0.00 175.35 176.40 3inu s LYS 222 N 0.87 4.37 -0.24 4.03 2.20 -1.26 -0.81 119.74 128.90 3inu s LYS 222 Ca 0.28 0.73 -0.08 0.00 -0.36 0.00 0.00 55.97 56.54 3inu s LYS 222 Cb -0.16 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3inu s LYS 222 CO 0.11 0.21 0.09 0.08 -0.36 0.00 0.00 175.35 175.48 3inu s VAL 225 N 0.34 4.60 -0.08 4.02 1.01 0.14 -4.96 120.40 125.47 3inu s VAL 225 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3inu s VAL 225 Cb -0.17 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3inu s VAL 225 CO 0.16 0.36 -0.07 -1.61 0.00 0.00 0.00 175.10 173.93 3inu s GLU 226 N 1.31 2.91 1.42 2.72 2.02 -1.26 -4.41 118.70 123.41 3inu s GLU 226 Ca 0.05 -0.56 -0.23 0.00 0.02 0.00 0.00 54.97 54.25 3inu s GLU 226 Cb -0.15 -2.63 0.36 0.00 0.10 0.00 0.00 34.13 31.82 3inu s GLU 226 CO 0.04 0.57 0.95 -2.14 0.02 0.00 0.00 175.26 174.70 3inu s PRO 227 N -0.55 -2.90 0.00 0.39 0.02 -1.26 -4.37 135.00 126.33 3inu s PRO 227 Ca 0.08 0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.15 3inu s PRO 227 Cb -0.12 -1.39 0.00 0.00 0.02 0.00 0.00 34.50 33.01 3inu s PRO 227 CO 0.02 -4.84 0.00 1.17 -0.33 0.00 0.00 177.00 173.02