#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mty s VAL 17 N 0.00 5.04 -0.74 2.52 1.01 0.35 -4.10 120.40 124.47 3mty s VAL 17 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3mty s VAL 17 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3mty s VAL 17 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3mty n GLY 18 N 2.48 0.57 3.98 4.51 0.00 -1.25 -1.81 105.19 113.68 3mty n GLY 18 Ca -0.10 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 3mty n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mty s GLY 19 N -2.80 1.76 0.22 -0.02 0.00 -1.26 -4.80 107.32 100.42 3mty s GLY 19 Ca 0.00 -1.62 0.09 0.00 0.00 0.00 0.00 44.72 43.19 3mty s GLY 19 CO 0.00 -1.02 -0.17 -0.51 0.00 0.00 0.00 173.10 171.40 3mty s THR 20 N -3.29 2.01 -0.03 0.90 -4.23 0.24 -4.91 115.64 106.32 3mty s THR 20 Ca 0.68 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 3mty s THR 20 Cb -0.05 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 3mty s THR 20 CO 0.46 -0.46 1.34 -0.70 -0.54 0.00 0.00 174.62 174.72 3mty s GLU 21 N -3.39 4.30 0.46 3.99 2.12 -1.26 -0.65 118.70 124.26 3mty s GLU 21 Ca 0.23 1.86 -0.24 0.00 0.36 0.00 0.00 54.97 57.19 3mty s GLU 21 Cb -0.03 -3.60 -0.07 0.00 0.26 0.00 0.00 34.13 30.68 3mty s GLU 21 CO 0.09 -0.56 1.24 0.00 -0.54 0.00 0.00 175.26 175.49 3mty s ALA 22 N 2.50 3.02 0.55 6.30 0.00 -0.03 -4.87 121.76 129.23 3mty s ALA 22 Ca 0.61 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 53.44 3mty s ALA 22 Cb -0.29 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 3mty s ALA 22 CO 0.24 -0.83 1.31 -0.65 0.00 0.00 0.00 175.76 175.84 3mty s GLN 23 N -2.60 3.13 0.03 0.00 -1.52 -1.26 -4.87 119.66 112.56 3mty s GLN 23 Ca 0.63 2.13 0.20 0.00 -1.95 0.00 0.00 55.36 56.36 3mty s GLN 23 Cb -0.33 -2.20 0.83 0.00 -0.22 0.00 0.00 33.01 31.09 3mty s GLN 23 CO 0.41 -1.16 1.62 2.89 -0.25 0.00 0.00 175.29 178.80 3mty n ARG 24 N -1.11 0.02 -0.15 2.91 1.85 -1.26 -2.14 116.66 116.78 3mty n ARG 24 Ca 0.11 0.19 0.05 0.00 -1.00 0.00 0.00 57.85 57.20 3mty n ARG 24 Cb 0.46 -1.54 0.12 0.00 -1.05 0.00 0.00 32.46 30.45 3mty n ARG 24 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3mty n ASN 25 N -1.58 2.73 -0.04 2.89 0.23 -1.26 -4.70 115.26 113.52 3mty n ASN 25 Ca 0.04 -2.28 -0.13 0.00 -0.53 0.00 0.00 54.58 51.68 3mty n ASN 25 Cb 0.23 -0.23 -0.01 0.00 -2.08 0.00 0.00 39.78 37.68 3mty n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3mty h SER 26 N 1.13 0.86 -2.11 0.53 0.02 -1.76 -3.39 113.55 108.83 3mty h SER 26 Ca 0.00 -0.48 -0.56 0.00 -0.84 0.00 0.00 61.79 59.92 3mty h SER 26 Cb 0.80 -0.25 -0.41 0.00 0.14 0.00 0.00 62.40 62.69 3mty h SER 26 CO 0.04 1.25 -0.90 0.79 -1.14 0.00 0.00 176.83 176.86 3mty n TRP 27 N -3.98 1.70 0.69 3.45 7.02 -1.26 -4.95 117.44 120.11 3mty n TRP 27 Ca -0.04 -3.87 0.08 0.00 -1.02 0.00 0.00 57.50 52.65 3mty n TRP 27 Cb 0.64 -0.45 0.39 0.00 -2.42 0.00 0.00 31.31 29.48 3mty n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3mty n PRO 28 N 0.64 0.12 0.00 -0.99 -0.04 -1.26 -1.73 135.00 131.75 3mty n PRO 28 Ca 0.26 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 3mty n PRO 28 Cb 0.50 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.78 3mty n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mty n SER 29 N -1.39 0.45 -4.75 3.54 3.41 -1.21 -1.89 113.62 111.78 3mty n SER 29 Ca 0.06 -0.18 -0.41 0.00 -0.26 0.00 0.00 58.87 58.08 3mty n SER 29 Cb 0.17 0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 3mty n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3mty s GLN 30 N -2.96 4.32 0.22 4.33 2.00 -0.70 -0.72 119.66 126.15 3mty s GLN 30 Ca 0.13 2.21 0.09 0.00 -2.00 0.00 0.00 55.36 55.79 3mty s GLN 30 Cb 0.18 -3.13 -0.05 0.00 0.80 0.00 0.00 33.01 30.81 3mty s GLN 30 CO 0.66 -0.33 -0.16 0.96 -0.50 0.00 0.00 175.29 175.91 3mty s ILE 31 N -0.14 1.96 -0.25 -2.34 -5.25 -0.44 -4.56 121.20 110.18 3mty s ILE 31 Ca 0.57 -2.24 -0.08 0.00 -0.99 0.00 0.00 60.65 57.91 3mty s ILE 31 Cb -0.40 -2.10 -0.04 0.00 2.95 0.00 0.00 42.46 42.88 3mty s ILE 31 CO 0.43 -0.51 0.11 -0.55 -1.79 0.00 0.00 174.94 172.63 3mty s SER 32 N -3.30 5.50 -0.24 4.36 0.15 -0.69 -2.61 113.70 116.88 3mty s SER 32 Ca 0.24 -0.09 -0.15 0.00 0.70 0.00 0.00 55.95 56.65 3mty s SER 32 Cb -0.03 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 3mty s SER 32 CO 0.09 0.00 0.39 -0.22 1.20 0.00 0.00 173.24 174.70 3mty s LEU 33 N 1.42 4.09 0.12 3.45 2.96 0.29 -0.88 118.68 130.13 3mty s LEU 33 Ca 0.06 0.40 0.07 0.00 -0.22 0.00 0.00 54.13 54.43 3mty s LEU 33 Cb -0.15 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 3mty s LEU 33 CO 0.05 -0.14 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.69 3mty s GLN 34 N 1.74 1.07 0.20 1.98 -0.21 -0.19 -0.85 119.66 123.40 3mty s GLN 34 Ca 0.17 -1.24 0.10 0.00 0.02 0.00 0.00 55.36 54.42 3mty s GLN 34 Cb -0.15 -1.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.77 3mty s GLN 34 CO 0.09 0.21 -0.21 1.52 -2.12 0.00 0.00 175.29 174.78 3mty s TYR 35 N -1.92 2.13 0.06 0.91 1.13 -0.20 -0.90 117.35 118.56 3mty s TYR 35 Ca 0.09 -0.39 -0.31 0.00 -1.41 0.00 0.00 57.07 55.05 3mty s TYR 35 Cb -0.06 -1.04 -0.05 0.00 -1.10 0.00 0.00 41.96 39.71 3mty s TYR 35 CO 0.04 0.47 1.18 0.50 -2.51 0.00 0.00 175.55 175.23 3mty s ARG 36 N -2.84 4.45 -0.30 -3.49 3.52 -0.30 -0.76 118.95 119.22 3mty s ARG 36 Ca 0.20 1.74 -0.03 0.00 -0.13 0.00 0.00 55.73 57.51 3mty s ARG 36 Cb -0.07 -3.36 0.10 0.00 -1.56 0.00 0.00 34.95 30.07 3mty s ARG 36 CO 0.09 -0.23 0.13 0.45 -0.81 0.00 0.00 175.30 174.92 3mty s SER 36 N 1.04 3.65 1.90 -2.12 0.15 0.14 -4.81 113.70 113.65 3mty s SER 36 Ca 0.58 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.81 3mty s SER 36 Cb -0.29 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 3mty s SER 36 CO 0.29 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3mty n GLY 36 N 5.09 4.10 1.55 9.45 0.00 -1.26 -1.27 105.19 122.86 3mty n GLY 36 Ca -0.04 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3mty n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mty n SER 36 N 8.56 4.80 -1.61 1.61 2.88 -1.26 -4.96 113.62 123.64 3mty n SER 36 Ca 0.00 -2.54 -0.02 0.00 -1.33 0.00 0.00 58.87 54.98 3mty n SER 36 Cb 0.00 -0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 62.87 3mty n SER 36 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3mty n SER 37 N 0.92 0.81 -4.17 -3.46 2.88 -0.39 -5.16 113.62 105.04 3mty n SER 37 Ca 0.25 -1.20 -0.23 0.00 -1.33 0.00 0.00 58.87 56.36 3mty n SER 37 Cb 0.92 0.10 -0.14 0.00 -0.75 0.00 0.00 64.21 64.34 3mty n SER 37 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3mty s TRP 38 N -1.74 1.47 -0.09 0.66 0.52 -1.26 -0.68 118.94 117.82 3mty s TRP 38 Ca 0.02 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 55.86 3mty s TRP 38 Cb 0.00 -0.91 0.00 0.00 -1.15 0.00 0.00 33.47 31.42 3mty s TRP 38 CO 0.02 0.02 -0.20 0.00 0.02 0.00 0.00 176.95 176.81 3mty s ALA 39 N -0.61 1.88 0.24 0.98 0.00 0.06 -4.90 121.76 119.41 3mty s ALA 39 Ca 0.05 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3mty s ALA 39 Cb -0.07 -0.74 -0.11 0.00 0.00 0.00 0.00 23.12 22.20 3mty s ALA 39 CO 0.00 0.21 1.54 -1.58 0.00 0.00 0.00 175.76 175.93 3mty s HIS 40 N 0.48 2.94 0.00 0.00 2.46 -1.26 -1.03 115.29 118.88 3mty s HIS 40 Ca -0.17 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.17 3mty s HIS 40 Cb -0.17 -3.95 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 3mty s HIS 40 CO 0.07 -3.26 0.00 -2.37 -2.47 0.00 0.00 174.74 166.71 3mty n THR 41 N 2.79 0.00 -3.72 0.89 5.66 -0.03 -4.93 114.28 114.94 3mty n THR 41 Ca 0.10 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.00 3mty n THR 41 Cb 0.39 -0.75 -0.03 0.00 -1.55 0.00 0.00 70.33 68.39 3mty n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mty n GLY 43 N -0.37 0.40 3.77 0.00 0.00 0.39 -0.55 105.19 108.83 3mty n GLY 43 Ca -0.09 -1.99 -0.03 0.00 0.00 0.00 0.00 46.02 43.90 3mty n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mty s GLY 44 N -5.19 -0.16 -0.13 -0.02 0.00 -1.07 -3.43 107.32 97.31 3mty s GLY 44 Ca 0.67 0.06 0.02 0.00 0.00 0.00 0.00 44.72 45.47 3mty s GLY 44 CO 0.45 0.61 -0.20 -1.59 0.00 0.00 0.00 173.10 172.37 3mty s THR 45 N -2.91 1.87 -0.06 0.90 2.01 0.13 -1.33 115.64 116.26 3mty s THR 45 Ca 0.15 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 3mty s THR 45 Cb -0.01 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 3mty s THR 45 CO 0.02 0.51 1.51 -0.22 -0.69 0.00 0.00 174.62 175.76 3mty s LEU 46 N 0.86 4.29 -0.01 4.42 2.96 0.10 -0.64 118.68 130.68 3mty s LEU 46 Ca -0.07 2.11 0.03 0.00 -0.22 0.00 0.00 54.13 55.98 3mty s LEU 46 Cb -0.15 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 3mty s LEU 46 CO -0.02 -0.84 0.07 2.30 -1.32 0.00 0.00 176.35 176.54 3mty n ILE 47 N 5.21 0.01 -4.20 6.68 -5.35 -0.06 0.04 119.36 121.70 3mty n ILE 47 Ca 0.15 -0.08 -0.12 0.00 -0.27 0.00 0.00 62.75 62.44 3mty n ILE 47 Cb 0.43 0.37 -0.10 0.00 -1.74 0.00 0.00 39.64 38.60 3mty n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3mty s ARG 48 N -2.22 1.16 0.61 6.28 1.81 -0.95 -4.75 118.95 120.89 3mty s ARG 48 Ca -0.01 -1.60 0.36 0.00 -1.72 0.00 0.00 55.73 52.76 3mty s ARG 48 Cb 0.02 0.21 1.96 0.00 -0.45 0.00 0.00 34.95 36.69 3mty s ARG 48 CO 0.13 -0.35 2.24 1.96 -0.68 0.00 0.00 175.30 178.60 3mty h GLN 49 N 2.66 0.00 0.00 3.54 4.20 -1.95 -2.41 115.11 121.14 3mty h GLN 49 Ca -0.36 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.35 3mty h GLN 49 Cb 1.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 3mty h GLN 49 CO 0.55 0.03 -0.09 0.27 -0.67 0.00 0.00 178.83 178.91 3mty n ASN 50 N -3.38 2.06 -3.88 1.46 6.94 -1.26 -1.30 115.26 115.90 3mty n ASN 50 Ca -0.02 -3.03 -0.16 0.00 -0.02 0.00 0.00 54.58 51.35 3mty n ASN 50 Cb 0.14 -0.41 -0.15 0.00 -2.36 0.00 0.00 39.78 36.99 3mty n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3mty s TRP 51 N -2.60 0.35 -0.05 -2.53 0.52 -0.91 -0.63 118.94 113.10 3mty s TRP 51 Ca 0.29 -0.05 0.06 0.00 0.02 0.00 0.00 56.10 56.43 3mty s TRP 51 Cb 0.26 -0.32 -0.02 0.00 -1.15 0.00 0.00 33.47 32.24 3mty s TRP 51 CO 0.02 -0.07 -0.22 0.08 0.02 0.00 0.00 176.95 176.77 3mty s VAL 52 N 0.45 2.32 -0.18 4.03 1.01 -0.23 -0.88 120.40 126.92 3mty s VAL 52 Ca -0.05 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 3mty s VAL 52 Cb -0.08 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 3mty s VAL 52 CO -0.01 0.57 0.27 -0.32 0.00 0.00 0.00 175.10 175.61 3mty s MET 53 N -0.38 4.21 0.12 2.72 1.75 0.18 -0.58 119.30 127.33 3mty s MET 53 Ca 0.03 0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.50 3mty s MET 53 Cb -0.12 -3.46 -0.01 0.00 2.84 0.00 0.00 34.83 34.09 3mty s MET 53 CO 0.02 0.18 0.13 -2.37 -0.65 0.00 0.00 175.02 172.33 3mty n THR 54 N 3.77 0.00 -3.20 10.11 5.66 -0.25 -0.69 114.28 129.69 3mty n THR 54 Ca -0.12 -0.77 -0.39 0.00 -3.05 0.00 0.00 64.05 59.72 3mty n THR 54 Cb 0.52 0.41 -0.06 0.00 -1.55 0.00 0.00 70.33 69.65 3mty n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mty s ALA 55 N -2.29 3.55 0.27 1.79 0.00 -1.26 -1.12 121.76 122.70 3mty s ALA 55 Ca 0.13 0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 3mty s ALA 55 Cb 0.00 -2.71 0.52 0.00 0.00 0.00 0.00 23.12 20.94 3mty s ALA 55 CO 0.09 0.38 1.82 0.00 0.00 0.00 0.00 175.76 178.04 3mty h ALA 56 N 4.41 1.42 0.00 0.00 0.00 -1.68 -2.21 119.26 121.20 3mty h ALA 56 Ca -0.49 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mty h ALA 56 Cb 1.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3mty h ALA 56 CO 0.64 0.15 -0.01 1.12 0.00 0.00 0.00 179.25 181.15 3mty h HIS 57 N 0.90 0.00 0.00 0.00 2.07 -1.92 -1.49 115.15 114.72 3mty h HIS 57 Ca 0.48 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.96 3mty h HIS 57 Cb 0.50 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.47 3mty h HIS 57 CO -0.02 0.01 -0.15 0.00 -3.07 0.00 0.00 177.93 174.70 3mty n VAL 59 N -3.47 2.24 -0.27 0.00 0.24 -0.57 -4.61 118.33 111.90 3mty n VAL 59 Ca -0.01 -2.20 -0.07 0.00 -2.04 0.00 0.00 64.34 60.03 3mty n VAL 59 Cb 0.32 -0.26 0.05 0.00 -1.47 0.00 0.00 33.84 32.47 3mty n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3mty h ASP 60 N 1.17 1.04 -3.99 -1.34 3.45 -1.46 -3.44 116.42 111.85 3mty h ASP 60 Ca 0.04 -0.19 -0.49 0.00 0.43 0.00 0.00 57.03 56.83 3mty h ASP 60 Cb 1.36 -0.27 0.03 0.00 -0.56 0.00 0.00 39.33 39.89 3mty h ASP 60 CO 0.19 0.95 0.43 -0.13 -1.57 0.00 0.00 179.24 179.10 3mty s ARG 61 N -5.49 4.00 -0.25 3.56 0.52 -1.26 -4.92 118.95 115.12 3mty s ARG 61 Ca -0.12 1.56 -0.06 0.00 -0.52 0.00 0.00 55.73 56.58 3mty s ARG 61 Cb 0.15 -2.44 -0.23 0.00 0.52 0.00 0.00 34.95 32.95 3mty s ARG 61 CO 0.83 -0.29 3.38 0.39 0.02 0.00 0.00 175.30 179.63 3mty n GLU 62 N -0.32 2.16 -3.36 3.54 -0.58 -1.26 -4.92 120.64 115.89 3mty n GLU 62 Ca 0.06 -1.13 -0.19 0.00 -0.42 0.00 0.00 57.16 55.48 3mty n GLU 62 Cb 0.50 -2.10 -0.00 0.00 -0.57 0.00 0.00 31.44 29.27 3mty n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3mty s LEU 63 N 0.03 3.90 -0.25 -4.62 1.43 -1.26 -5.07 118.68 112.84 3mty s LEU 63 Ca 0.64 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 3mty s LEU 63 Cb 0.28 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 3mty s LEU 63 CO -0.01 -0.51 0.68 -0.89 0.23 0.00 0.00 176.35 175.85 3mty s THR 64 N -2.23 4.95 0.04 5.49 2.01 -1.26 -5.01 115.64 119.62 3mty s THR 64 Ca 0.47 1.25 0.04 0.00 0.31 0.00 0.00 61.69 63.75 3mty s THR 64 Cb -0.10 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3mty s THR 64 CO 0.32 0.01 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.87 3mty s PHE 65 N 2.54 2.97 0.17 4.92 0.08 -1.26 -1.15 117.98 126.25 3mty s PHE 65 Ca 0.29 -0.01 0.04 0.00 0.12 0.00 0.00 56.93 57.37 3mty s PHE 65 Cb -0.15 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 3mty s PHE 65 CO 0.08 0.44 -0.07 -0.98 -0.10 0.00 0.00 175.22 174.60 3mty s ARG 65 N -1.85 1.15 -0.03 0.44 1.70 -0.08 -2.56 118.95 117.73 3mty s ARG 65 Ca 0.21 -1.52 0.04 0.00 -0.47 0.00 0.00 55.73 53.99 3mty s ARG 65 Cb -0.11 -0.61 -0.03 0.00 -0.57 0.00 0.00 34.95 33.62 3mty s ARG 65 CO 0.13 0.02 -0.14 0.08 -1.08 0.00 0.00 175.30 174.30 3mty s VAL 66 N -3.36 3.06 -0.19 4.99 1.01 -0.02 -1.02 120.40 124.87 3mty s VAL 66 Ca 0.21 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3mty s VAL 66 Cb 0.04 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.21 3mty s VAL 66 CO 0.03 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 174.84 3mty s VAL 67 N -0.78 2.50 0.23 2.92 1.01 -0.06 -1.08 120.40 125.14 3mty s VAL 67 Ca 0.12 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3mty s VAL 67 Cb -0.11 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3mty s VAL 67 CO 0.02 0.50 0.33 0.68 0.00 0.00 0.00 175.10 176.63 3mty s VAL 68 N 1.35 5.15 -1.42 2.92 -7.23 -0.56 -1.70 120.40 118.91 3mty s VAL 68 Ca 0.05 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 3mty s VAL 68 Cb -0.13 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.02 3mty s VAL 68 CO -0.10 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 3mty n GLY 69 N -1.29 0.60 3.80 2.32 0.00 -1.24 -1.20 105.19 108.19 3mty n GLY 69 Ca -0.09 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 3mty n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mty s GLU 70 N -4.03 4.04 0.02 1.61 2.56 -1.26 -3.07 118.70 118.57 3mty s GLU 70 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 54.97 55.39 3mty s GLU 70 Cb 0.00 -3.28 0.00 0.00 2.00 0.00 0.00 34.13 32.85 3mty s GLU 70 CO 0.00 0.55 0.00 1.58 -0.56 0.00 0.00 175.26 176.83 3mty n HIS 71 N 2.30 -0.07 -3.95 5.30 -0.00 -1.26 -4.93 115.22 112.61 3mty n HIS 71 Ca -0.12 0.01 -0.35 0.00 -0.00 0.00 0.00 57.72 57.27 3mty n HIS 71 Cb 0.52 0.13 -0.14 0.00 -0.00 0.00 0.00 29.99 30.50 3mty n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3mty s ASN 72 N -5.08 4.32 0.62 0.26 3.84 -1.26 -1.38 114.94 116.27 3mty s ASN 72 Ca 0.00 -0.83 0.39 0.00 0.21 0.00 0.00 52.86 52.63 3mty s ASN 72 Cb 0.00 -1.67 2.09 0.00 -0.55 0.00 0.00 41.25 41.11 3mty s ASN 72 CO 0.00 -0.12 2.27 -0.07 -2.79 0.00 0.00 177.10 176.39 3mty h LEU 73 N 8.03 0.00 -0.34 3.21 3.38 -1.18 -3.09 115.31 125.32 3mty h LEU 73 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3mty h LEU 73 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3mty h LEU 73 CO 0.58 0.01 -0.39 -0.46 0.09 0.00 0.00 178.44 178.27 3mty n ASN 74 N -3.25 0.85 -4.24 -0.43 6.94 -1.26 -5.00 115.26 108.86 3mty n ASN 74 Ca -0.02 -0.92 -0.22 0.00 -0.02 0.00 0.00 54.58 53.40 3mty n ASN 74 Cb 0.13 0.77 -0.12 0.00 -2.36 0.00 0.00 39.78 38.19 3mty n ASN 74 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3mty s GLN 75 N -1.78 1.01 -0.20 -3.83 -0.21 -1.17 -5.10 119.66 108.38 3mty s GLN 75 Ca 0.06 -1.09 -0.29 0.00 0.02 0.00 0.00 55.36 54.06 3mty s GLN 75 Cb 0.09 -1.17 -0.03 0.00 1.00 0.00 0.00 33.01 32.90 3mty s GLN 75 CO 0.37 0.27 1.59 1.21 -2.12 0.00 0.00 175.29 176.61 3mty s ASN 76 N -1.87 6.45 0.32 5.90 2.47 -1.26 -4.61 114.94 122.34 3mty s ASN 76 Ca 0.03 1.68 0.23 0.00 0.42 0.00 0.00 52.86 55.22 3mty s ASN 76 Cb -0.10 -2.53 0.23 0.00 -1.45 0.00 0.00 41.25 37.40 3mty s ASN 76 CO 0.04 -1.19 1.38 0.78 -3.72 0.00 0.00 177.10 174.39 3mty h ASN 77 N 10.40 0.00 0.00 -4.21 4.21 -1.92 -3.48 115.58 120.58 3mty h ASN 77 Ca -0.34 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.16 3mty h ASN 77 Cb 1.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 3mty h ASN 77 CO 1.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.75 3mty n GLY 78 N 1.15 0.53 0.00 2.83 0.00 -1.26 -4.85 105.19 103.59 3mty n GLY 78 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3mty n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mty n THR 79 N -2.75 0.00 -2.48 2.61 -2.24 -1.26 -5.09 114.28 103.07 3mty n THR 79 Ca 0.00 -0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 61.14 3mty n THR 79 Cb 0.04 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 3mty n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mty s GLU 80 N -0.32 4.06 -0.06 -0.78 8.01 -1.17 -4.42 118.70 124.02 3mty s GLU 80 Ca 0.00 1.57 0.04 0.00 0.01 0.00 0.00 54.97 56.59 3mty s GLU 80 Cb 0.00 -2.50 -0.00 0.00 -4.31 0.00 0.00 34.13 27.32 3mty s GLU 80 CO 0.00 -0.24 -0.19 -0.65 0.01 0.00 0.00 175.26 174.19 3mty s GLN 81 N -2.57 2.18 -0.18 1.61 -0.21 -0.34 -4.98 119.66 115.17 3mty s GLN 81 Ca 0.59 -0.69 -0.04 0.00 0.02 0.00 0.00 55.36 55.25 3mty s GLN 81 Cb -0.23 -1.80 -0.02 0.00 1.00 0.00 0.00 33.01 31.96 3mty s GLN 81 CO 0.29 0.22 -0.03 0.71 -2.12 0.00 0.00 175.29 174.36 3mty s TYR 82 N 0.17 3.01 -0.06 0.91 1.51 -1.26 -1.50 117.35 120.13 3mty s TYR 82 Ca -0.09 -0.44 -0.03 0.00 -1.01 0.00 0.00 57.07 55.50 3mty s TYR 82 Cb -0.14 -2.01 0.03 0.00 -0.11 0.00 0.00 41.96 39.73 3mty s TYR 82 CO 0.04 -0.17 0.14 0.54 -1.11 0.00 0.00 175.55 174.99 3mty s VAL 83 N 0.71 -0.04 0.64 0.71 0.11 -0.24 -5.01 120.40 117.28 3mty s VAL 83 Ca -0.01 0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 59.01 3mty s VAL 83 Cb -0.14 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 3mty s VAL 83 CO 0.02 0.06 1.15 -0.83 -3.33 0.00 0.00 175.10 172.17 3mty s GLY 84 N 0.93 2.37 -0.29 6.54 0.00 -1.26 -0.84 107.32 114.77 3mty s GLY 84 Ca -0.07 0.73 -0.22 0.00 0.00 0.00 0.00 44.72 45.17 3mty s GLY 84 CO -0.05 1.10 0.70 0.14 0.00 0.00 0.00 173.10 175.00 3mty s VAL 85 N -2.05 4.89 -0.10 1.40 1.01 -1.06 -1.00 120.40 123.49 3mty s VAL 85 Ca 0.71 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.84 3mty s VAL 85 Cb -0.24 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 31.85 3mty s VAL 85 CO 0.38 -0.14 0.45 1.67 0.00 0.00 0.00 175.10 177.46 3mty n GLN 86 N 5.97 0.68 -3.76 2.72 7.27 0.60 -4.86 117.38 126.01 3mty n GLN 86 Ca 0.01 0.25 -0.13 0.00 0.07 0.00 0.00 57.00 57.20 3mty n GLN 86 Cb 0.48 -1.72 -0.11 0.00 2.41 0.00 0.00 30.24 31.31 3mty n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3mty s LYS 87 N -2.57 0.41 -0.18 3.69 2.20 -1.03 -4.98 119.74 117.28 3mty s LYS 87 Ca -0.13 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 55.89 3mty s LYS 87 Cb 0.07 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.60 3mty s LYS 87 CO 0.79 -0.06 -0.18 0.42 -0.36 0.00 0.00 175.35 175.96 3mty s ILE 88 N 0.05 2.25 -0.35 5.43 1.01 -1.26 -0.69 121.20 127.64 3mty s ILE 88 Ca -0.01 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3mty s ILE 88 Cb -0.03 -1.95 0.10 0.00 0.01 0.00 0.00 42.46 40.60 3mty s ILE 88 CO 0.01 0.53 0.07 -0.69 0.00 0.00 0.00 174.94 174.85 3mty s VAL 89 N 1.19 2.49 0.28 2.92 1.01 0.18 -5.00 120.40 123.47 3mty s VAL 89 Ca 0.02 -2.22 -0.17 0.00 0.00 0.00 0.00 61.98 59.61 3mty s VAL 89 Cb -0.14 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 3mty s VAL 89 CO -0.09 -0.57 0.74 -0.69 0.00 0.00 0.00 175.10 174.49 3mty s VAL 90 N 0.97 4.62 0.21 2.92 1.01 -1.26 -0.70 120.40 128.17 3mty s VAL 90 Ca 0.09 1.11 -0.32 0.00 0.00 0.00 0.00 61.98 62.85 3mty s VAL 90 Cb -0.20 -3.72 -0.13 0.00 0.00 0.00 0.00 36.38 32.33 3mty s VAL 90 CO -0.07 -0.02 1.55 1.57 0.00 0.00 0.00 175.10 178.12 3mty n HIS 91 N 0.09 2.38 0.34 5.22 -0.00 -0.74 -4.83 115.22 117.67 3mty n HIS 91 Ca 0.01 0.29 0.10 0.00 0.46 0.00 0.00 57.72 58.58 3mty n HIS 91 Cb 0.52 -2.54 0.43 0.00 -0.12 0.00 0.00 29.99 28.28 3mty n HIS 91 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3mty n PRO 92 N 2.88 0.13 -0.12 1.57 -0.04 -1.26 -1.55 135.00 136.61 3mty n PRO 92 Ca 0.14 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 3mty n PRO 92 Cb 0.31 -1.78 0.22 0.00 -0.04 0.00 0.00 33.50 32.21 3mty n PRO 92 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mty n TYR 93 N -2.02 0.30 -1.98 0.54 4.01 -1.26 -4.96 117.16 111.79 3mty n TYR 93 Ca 0.01 -0.15 -0.41 0.00 -0.16 0.00 0.00 57.90 57.19 3mty n TYR 93 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 3mty n TYR 93 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3mty s TRP 94 N -1.70 2.93 -0.14 -0.72 -0.11 -0.60 -4.86 118.94 113.74 3mty s TRP 94 Ca 0.35 1.14 -0.02 0.00 1.22 0.00 0.00 56.10 58.79 3mty s TRP 94 Cb 0.21 -3.84 0.04 0.00 -1.50 0.00 0.00 33.47 28.39 3mty s TRP 94 CO 0.31 -2.58 -0.01 1.21 -4.62 0.00 0.00 176.95 171.26 3mty s ASN 95 N 0.05 2.44 0.61 5.86 3.84 -1.26 -5.00 114.94 121.47 3mty s ASN 95 Ca 0.56 -0.52 0.30 0.00 0.21 0.00 0.00 52.86 53.41 3mty s ASN 95 Cb -0.43 -0.65 1.67 0.00 -0.55 0.00 0.00 41.25 41.29 3mty s ASN 95 CO 0.50 -0.23 2.04 0.00 -2.79 0.00 0.00 177.10 176.62 3mty h THR 96 N 6.40 0.33 0.00 -5.21 1.03 -1.98 0.42 112.91 113.91 3mty h THR 96 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 3mty h THR 96 Cb 1.12 0.77 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 3mty h THR 96 CO 0.33 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.31 3mty n ASP 97 N -3.58 0.00 -2.84 0.00 8.00 -1.26 -4.46 116.55 112.41 3mty n ASP 97 Ca 0.02 -0.23 -0.11 0.00 0.71 0.00 0.00 54.79 55.18 3mty n ASP 97 Cb 0.39 -0.23 0.04 0.00 -0.02 0.00 0.00 41.12 41.31 3mty n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3mty n ASP 98 N -1.23 -1.94 -2.10 -2.24 2.03 0.14 -5.07 116.55 106.14 3mty n ASP 98 Ca 0.14 -3.37 -0.01 0.00 0.52 0.00 0.00 54.79 52.07 3mty n ASP 98 Cb 0.18 1.34 -0.01 0.00 -0.72 0.00 0.00 41.12 41.91 3mty n ASP 98 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 3mty n VAL 99 N 0.96 0.37 0.00 5.18 3.14 -1.25 -4.02 118.33 122.71 3mty n VAL 99 Ca 0.11 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 3mty n VAL 99 Cb 0.65 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 3mty n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mty n ALA 99 N 2.28 0.00 0.00 1.55 0.00 -1.26 -4.80 120.51 118.28 3mty n ALA 99 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3mty n ALA 99 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3mty n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mty n GLY 100 N 0.00 -1.21 2.39 0.00 0.00 -1.26 -5.00 105.19 100.12 3mty n GLY 100 Ca 0.00 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 3mty n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mty n TYR 101 N 0.00 -0.86 -2.57 1.61 4.01 -1.26 -4.65 117.16 113.44 3mty n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3mty n TYR 101 Cb 0.00 -3.79 0.00 0.00 -0.31 0.00 0.00 39.34 35.24 3mty n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3mty n ASP 102 N -1.74 4.98 -3.66 7.72 4.64 -1.26 -4.31 116.55 122.92 3mty n ASP 102 Ca -0.23 -2.99 -0.14 0.00 -1.38 0.00 0.00 54.79 50.04 3mty n ASP 102 Cb 0.68 -1.59 -0.08 0.00 -1.04 0.00 0.00 41.12 39.09 3mty n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 3mty s ILE 103 N 1.87 0.01 0.00 5.18 2.07 -1.26 -3.91 121.20 125.16 3mty s ILE 103 Ca 0.44 -0.08 -0.14 0.00 -1.41 0.00 0.00 60.65 59.46 3mty s ILE 103 Cb 0.04 -0.80 0.02 0.00 0.13 0.00 0.00 42.46 41.85 3mty s ILE 103 CO 0.01 -0.04 0.31 0.00 -1.91 0.00 0.00 174.94 173.30 3mty s ALA 104 N -0.31 -0.75 -0.06 1.50 0.00 -0.28 -1.79 121.76 120.08 3mty s ALA 104 Ca -0.05 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.17 3mty s ALA 104 Cb -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 3mty s ALA 104 CO 0.03 -0.31 -0.16 -0.51 0.00 0.00 0.00 175.76 174.82 3mty s LEU 105 N -1.57 2.65 -0.20 0.00 1.43 0.13 -1.08 118.68 120.03 3mty s LEU 105 Ca -0.11 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3mty s LEU 105 Cb -0.04 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.65 3mty s LEU 105 CO 0.02 0.31 -0.13 -0.76 0.23 0.00 0.00 176.35 176.02 3mty s LEU 106 N -0.53 2.49 -0.14 1.79 1.43 0.26 -0.64 118.68 123.34 3mty s LEU 106 Ca 0.07 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 52.40 3mty s LEU 106 Cb -0.12 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3mty s LEU 106 CO 0.01 -0.01 0.64 -0.60 0.23 0.00 0.00 176.35 176.62 3mty s ARG 107 N 1.37 4.31 0.39 1.70 3.52 0.13 -1.07 118.95 129.30 3mty s ARG 107 Ca 0.05 0.70 -0.15 0.00 -0.13 0.00 0.00 55.73 56.20 3mty s ARG 107 Cb -0.14 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.65 3mty s ARG 107 CO -0.09 -0.09 0.82 -0.51 -0.81 0.00 0.00 175.30 174.62 3mty s LEU 108 N 1.39 3.92 0.39 -0.88 1.43 0.20 -0.29 118.68 124.84 3mty s LEU 108 Ca 0.32 1.36 0.17 0.00 -1.03 0.00 0.00 54.13 54.94 3mty s LEU 108 Cb -0.16 -4.21 0.80 0.00 0.03 0.00 0.00 46.19 42.65 3mty s LEU 108 CO 0.13 -0.33 1.82 0.00 0.23 0.00 0.00 176.35 178.19 3mty h ALA 109 N 1.76 1.19 -2.51 4.21 0.00 -1.39 -3.43 119.26 119.09 3mty h ALA 109 Ca -0.48 -0.32 -0.36 0.00 0.00 0.00 0.00 54.91 53.75 3mty h ALA 109 Cb 1.18 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 3mty h ALA 109 CO 0.64 0.44 -0.73 -0.65 0.00 0.00 0.00 179.25 178.95 3mty s GLN 110 N -3.94 1.03 -0.16 0.00 1.11 -1.26 -5.04 119.66 111.40 3mty s GLN 110 Ca -0.02 -1.35 -0.24 0.00 0.01 0.00 0.00 55.36 53.77 3mty s GLN 110 Cb 0.13 -0.73 -0.02 0.00 -1.01 0.00 0.00 33.01 31.38 3mty s GLN 110 CO 0.69 0.11 0.76 -1.12 0.01 0.00 0.00 175.29 175.74 3mty s SER 111 N -2.84 6.89 0.66 5.90 0.01 -1.26 -4.64 113.70 118.42 3mty s SER 111 Ca 0.13 1.09 -0.13 0.00 1.31 0.00 0.00 55.95 58.35 3mty s SER 111 Cb -0.01 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 3mty s SER 111 CO 0.02 -0.32 1.06 0.68 0.41 0.00 0.00 173.24 175.08 3mty s VAL 112 N 1.87 3.95 -0.10 3.43 -7.23 -0.42 -4.97 120.40 116.93 3mty s VAL 112 Ca 0.36 0.74 -0.15 0.00 -1.81 0.00 0.00 61.98 61.12 3mty s VAL 112 Cb -0.17 -3.39 -0.05 0.00 0.56 0.00 0.00 36.38 33.33 3mty s VAL 112 CO 0.13 -0.72 0.38 -0.89 -0.31 0.00 0.00 175.10 173.69 3mty s THR 113 N -2.82 5.19 0.15 5.32 2.01 -1.26 -4.86 115.64 119.37 3mty s THR 113 Ca 0.60 0.75 -0.19 0.00 0.31 0.00 0.00 61.69 63.17 3mty s THR 113 Cb -0.15 -3.71 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 3mty s THR 113 CO 0.48 0.43 0.64 -0.76 -0.69 0.00 0.00 174.62 174.72 3mty s LEU 114 N 0.02 4.42 0.00 4.42 1.43 -1.26 -4.80 118.68 122.91 3mty s LEU 114 Ca 0.22 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 3mty s LEU 114 Cb -0.15 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.80 3mty s LEU 114 CO 0.09 0.14 0.00 -0.46 0.23 0.00 0.00 176.35 176.35 3mty n ASN 115 N 1.13 0.00 0.18 2.29 0.23 -0.30 -4.95 115.26 113.83 3mty n ASN 115 Ca -0.06 -0.95 0.13 0.00 -0.53 0.00 0.00 54.58 53.17 3mty n ASN 115 Cb 0.51 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.83 3mty n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3mty h SER 116 N 0.00 0.00 0.00 0.53 4.64 -1.99 -2.15 113.55 114.59 3mty h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mty h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mty h SER 116 CO 0.00 0.00 -0.80 -1.22 -0.87 0.00 0.00 176.83 173.94 3mty n TYR 117 N -2.44 0.00 -3.53 4.77 4.01 -1.26 -4.71 117.16 114.00 3mty n TYR 117 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.50 3mty n TYR 117 Cb 0.16 -0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.04 3mty n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mty s VAL 118 N -2.81 -0.17 0.05 -0.72 1.01 -0.81 -3.64 120.40 113.31 3mty s VAL 118 Ca 0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 3mty s VAL 118 Cb 0.17 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3mty s VAL 118 CO 0.76 -0.48 0.04 -1.10 0.00 0.00 0.00 175.10 174.33 3mty s GLN 119 N 2.19 0.63 0.27 2.72 -1.52 -0.79 -1.15 119.66 122.01 3mty s GLN 119 Ca 0.07 -1.01 -0.29 0.00 -1.95 0.00 0.00 55.36 52.17 3mty s GLN 119 Cb -0.16 0.24 -0.09 0.00 -0.22 0.00 0.00 33.01 32.77 3mty s GLN 119 CO -0.24 -0.15 1.13 -0.51 -0.25 0.00 0.00 175.29 175.27 3mty s LEU 120 N -2.62 4.53 0.26 2.90 1.43 -1.26 -3.35 118.68 120.57 3mty s LEU 120 Ca 0.02 2.31 -0.30 0.00 -1.03 0.00 0.00 54.13 55.13 3mty s LEU 120 Cb 0.04 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 3mty s LEU 120 CO -0.08 -0.20 1.06 -0.83 0.23 0.00 0.00 176.35 176.52 3mty s GLY 121 N -0.73 3.07 -0.25 -3.19 0.00 0.11 -4.82 107.32 101.51 3mty s GLY 121 Ca 0.46 0.82 -0.25 0.00 0.00 0.00 0.00 44.72 45.75 3mty s GLY 121 CO 0.42 1.43 0.84 0.14 0.00 0.00 0.00 173.10 175.93 3mty s VAL 122 N -1.11 4.82 0.15 1.40 1.01 -1.26 -4.80 120.40 120.61 3mty s VAL 122 Ca 0.44 1.57 -0.03 0.00 0.00 0.00 0.00 61.98 63.96 3mty s VAL 122 Cb -0.30 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 3mty s VAL 122 CO 0.38 -0.09 0.36 -0.76 0.00 0.00 0.00 175.10 174.99 3mty s LEU 123 N 2.88 4.26 0.77 3.92 1.43 -1.26 -0.39 118.68 130.30 3mty s LEU 123 Ca 0.35 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.85 3mty s LEU 123 Cb -0.15 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 42.89 3mty s LEU 123 CO 0.08 0.04 1.10 -2.16 0.23 0.00 0.00 176.35 175.63 3mty s PRO 124 N -2.82 2.21 0.50 1.29 0.04 -1.26 -4.89 135.00 130.07 3mty s PRO 124 Ca 0.40 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.42 3mty s PRO 124 Cb -0.12 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3mty s PRO 124 CO 0.26 -1.68 1.35 1.03 0.04 0.00 0.00 177.00 178.00 3mty s ARG 125 N -4.81 3.44 0.26 4.56 0.52 -1.26 -4.79 118.95 116.87 3mty s ARG 125 Ca 0.62 2.22 -0.30 0.00 -0.52 0.00 0.00 55.73 57.75 3mty s ARG 125 Cb -0.18 -2.43 -0.14 0.00 0.52 0.00 0.00 34.95 32.72 3mty s ARG 125 CO 0.55 -0.94 1.27 0.00 0.02 0.00 0.00 175.30 176.19 3mty n ALA 126 N -0.62 0.60 -0.18 2.13 0.00 -1.26 -2.22 120.51 118.95 3mty n ALA 126 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3mty n ALA 126 Cb 0.44 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3mty n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mty n GLY 127 N 1.68 1.69 3.72 0.00 0.00 -0.51 -5.02 105.19 106.76 3mty n GLY 127 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3mty n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mty s THR 128 N -2.84 2.74 -0.10 2.61 2.01 -0.94 -5.00 115.64 114.11 3mty s THR 128 Ca 0.00 0.54 0.03 0.00 0.31 0.00 0.00 61.69 62.57 3mty s THR 128 Cb 0.00 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.17 3mty s THR 128 CO 0.00 0.05 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.15 3mty s ILE 129 N 0.99 1.76 0.25 1.82 -1.09 -1.26 -4.77 121.20 118.90 3mty s ILE 129 Ca 0.68 -0.82 -0.24 0.00 -2.23 0.00 0.00 60.65 58.03 3mty s ILE 129 Cb -0.42 -1.55 -0.09 0.00 -1.58 0.00 0.00 42.46 38.81 3mty s ILE 129 CO 0.33 0.49 0.84 -0.76 -1.23 0.00 0.00 174.94 174.61 3mty s LEU 130 N 0.65 4.41 0.64 2.97 1.43 -1.26 -5.03 118.68 122.49 3mty s LEU 130 Ca -0.13 1.67 -0.18 0.00 -1.03 0.00 0.00 54.13 54.46 3mty s LEU 130 Cb -0.16 -3.71 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 3mty s LEU 130 CO 0.03 0.03 1.09 0.00 0.23 0.00 0.00 176.35 177.73 3mty n ALA 131 N 0.86 0.47 -1.56 4.21 0.00 -1.26 -4.88 120.51 118.35 3mty n ALA 131 Ca -0.01 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 3mty n ALA 131 Cb 0.50 -2.19 -0.00 0.00 0.00 0.00 0.00 19.45 17.75 3mty n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mty n ASN 132 N -1.39 0.73 -1.58 0.00 5.15 -1.26 -2.41 115.26 114.49 3mty n ASN 132 Ca 0.15 1.08 -0.14 0.00 -0.60 0.00 0.00 54.58 55.06 3mty n ASN 132 Cb 0.48 -1.26 -0.01 0.00 -0.53 0.00 0.00 39.78 38.46 3mty n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3mty n ASN 133 N 1.04 -4.35 -4.78 1.20 5.15 0.19 -4.93 115.26 108.77 3mty n ASN 133 Ca 0.10 0.01 -0.37 0.00 -0.60 0.00 0.00 54.58 53.72 3mty n ASN 133 Cb 0.35 -3.49 -0.04 0.00 -0.53 0.00 0.00 39.78 36.08 3mty n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3mty s SER 134 N -2.39 6.72 -0.08 1.20 0.01 -1.01 -4.58 113.70 113.57 3mty s SER 134 Ca 0.00 2.09 -0.30 0.00 1.31 0.00 0.00 55.95 59.06 3mty s SER 134 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 3mty s SER 134 CO 0.00 -0.52 1.21 -2.16 0.41 0.00 0.00 173.24 172.17 3mty s PRO 135 N -2.45 4.33 0.05 12.44 0.04 -1.26 -1.33 135.00 146.82 3mty s PRO 135 Ca 0.58 1.67 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 3mty s PRO 135 Cb -0.24 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.69 3mty s PRO 135 CO 0.30 -0.49 0.07 0.00 0.04 0.00 0.00 177.00 176.91 3mty s TYR 137 N -3.29 2.19 0.20 0.00 2.02 0.48 -0.83 117.35 118.13 3mty s TYR 137 Ca 0.01 -0.75 -0.19 0.00 -0.37 0.00 0.00 57.07 55.76 3mty s TYR 137 Cb 0.03 -1.47 -0.08 0.00 -0.40 0.00 0.00 41.96 40.04 3mty s TYR 137 CO -0.08 -0.28 0.70 -1.50 -1.57 0.00 0.00 175.55 172.82 3mty s ILE 138 N 0.14 4.60 0.09 2.71 2.07 -0.46 -0.74 121.20 129.61 3mty s ILE 138 Ca -0.10 1.25 0.06 0.00 -1.41 0.00 0.00 60.65 60.45 3mty s ILE 138 Cb -0.15 -3.86 -0.03 0.00 0.13 0.00 0.00 42.46 38.55 3mty s ILE 138 CO 0.05 0.24 -0.15 0.42 -1.91 0.00 0.00 174.94 173.59 3mty s THR 139 N -1.48 1.29 0.00 4.00 -4.23 -1.20 -1.35 115.64 112.67 3mty s THR 139 Ca 0.41 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 3mty s THR 139 Cb -0.17 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.36 3mty s THR 139 CO 0.21 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3mty n GLY 140 N 1.00 0.42 1.23 3.99 0.00 -0.58 -4.51 105.19 106.73 3mty n GLY 140 Ca -0.19 -1.11 0.09 0.00 0.00 0.00 0.00 46.02 44.81 3mty n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mty n TRP 141 N -0.70 1.01 -0.60 1.61 8.01 -1.26 -1.58 117.44 123.93 3mty n TRP 141 Ca 0.00 -0.55 -0.30 0.00 -1.31 0.00 0.00 57.50 55.33 3mty n TRP 141 Cb 0.00 -0.10 0.27 0.00 -2.01 0.00 0.00 31.31 29.47 3mty n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3mty s GLY 142 N -1.03 1.47 0.40 6.99 0.00 -1.25 -1.30 107.32 112.61 3mty s GLY 142 Ca 0.43 -0.80 -0.25 0.00 0.00 0.00 0.00 44.72 44.10 3mty s GLY 142 CO 0.25 0.15 1.10 1.04 0.00 0.00 0.00 173.10 175.64 3mty n LEU 143 N -5.32 2.95 -0.35 0.66 4.77 0.33 -2.24 117.00 117.79 3mty n LEU 143 Ca 0.12 1.08 0.12 0.00 -0.03 0.00 0.00 56.01 57.30 3mty n LEU 143 Cb 0.59 -1.39 0.23 0.00 -2.33 0.00 0.00 43.42 40.53 3mty n LEU 143 CO 0.45 -1.19 0.53 0.35 -1.33 0.00 0.00 177.39 176.19 3mty n THR 144 N -0.28 0.00 -3.79 -5.08 -2.24 -0.76 -0.90 114.28 101.22 3mty n THR 144 Ca 0.08 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 3mty n THR 144 Cb 0.38 0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 69.26 3mty n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mty s ARG 145 N -2.47 0.71 0.17 -0.78 0.52 -1.26 -4.25 118.95 111.58 3mty s ARG 145 Ca 0.23 -0.45 -0.33 0.00 -0.52 0.00 0.00 55.73 54.65 3mty s ARG 145 Cb 0.19 0.30 -0.15 0.00 0.52 0.00 0.00 34.95 35.81 3mty s ARG 145 CO 0.53 -0.21 1.40 2.41 0.02 0.00 0.00 175.30 179.46 3mty n THR 147 N 0.87 0.45 -2.35 0.02 -1.04 -1.26 -0.71 114.28 110.26 3mty n THR 147 Ca -0.20 -0.11 -0.17 0.00 -2.04 0.00 0.00 64.05 61.53 3mty n THR 147 Cb 0.58 -1.24 -0.01 0.00 -1.82 0.00 0.00 70.33 67.84 3mty n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mty n ASN 148 N 2.59 -4.95 -0.10 8.00 3.02 -1.26 -4.96 115.26 117.61 3mty n ASN 148 Ca 0.15 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 3mty n ASN 148 Cb 0.27 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.26 3mty n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mty n GLY 149 N -0.87 1.82 3.29 7.41 0.00 0.11 -5.13 105.19 111.82 3mty n GLY 149 Ca -0.20 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 3mty n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mty s GLN 150 N 4.23 1.17 0.62 1.61 -2.07 -1.26 -4.92 119.66 119.04 3mty s GLN 150 Ca 0.00 -1.50 -0.19 0.00 -1.82 0.00 0.00 55.36 51.85 3mty s GLN 150 Cb 0.00 -0.85 -0.03 0.00 -1.09 0.00 0.00 33.01 31.05 3mty s GLN 150 CO 0.00 0.13 1.21 1.28 -1.32 0.00 0.00 175.29 176.58 3mty n LEU 151 N -0.24 5.25 -4.77 2.60 4.77 -1.26 -1.82 117.00 121.52 3mty n LEU 151 Ca -0.09 0.85 -0.35 0.00 -0.03 0.00 0.00 56.01 56.39 3mty n LEU 151 Cb 0.60 -1.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.19 3mty n LEU 151 CO 0.33 -1.18 0.78 0.00 -1.33 0.00 0.00 177.39 175.99 3mty s ALA 152 N -1.40 2.68 0.00 -1.18 0.00 -0.42 -4.82 121.76 116.62 3mty s ALA 152 Ca 0.79 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 53.41 3mty s ALA 152 Cb -0.40 -3.36 -0.34 0.00 0.00 0.00 0.00 23.12 19.02 3mty s ALA 152 CO 0.44 -0.80 0.88 1.96 0.00 0.00 0.00 175.76 178.24 3mty h GLN 153 N 1.12 0.49 -6.37 0.00 4.20 -1.94 -3.45 115.11 109.16 3mty h GLN 153 Ca -0.50 -0.84 -0.66 0.00 0.06 0.00 0.00 58.65 56.71 3mty h GLN 153 Cb 1.26 0.31 -0.14 0.00 0.30 0.00 0.00 27.48 29.21 3mty h GLN 153 CO 0.57 1.40 -0.69 0.95 -0.67 0.00 0.00 178.83 180.39 3mty s THR 154 N -2.59 3.77 0.20 -0.54 -4.23 -1.26 -0.62 115.64 110.36 3mty s THR 154 Ca -0.11 -0.96 -0.33 0.00 -1.18 0.00 0.00 61.69 59.10 3mty s THR 154 Cb 0.05 -2.74 -0.13 0.00 1.34 0.00 0.00 72.50 71.02 3mty s THR 154 CO 0.91 0.22 1.61 -0.11 -0.54 0.00 0.00 174.62 176.71 3mty n LEU 155 N 0.94 3.50 -4.73 4.79 7.94 -0.48 -4.83 117.00 124.13 3mty n LEU 155 Ca -0.13 1.09 -0.27 0.00 -1.11 0.00 0.00 56.01 55.59 3mty n LEU 155 Cb 0.52 -1.49 -0.07 0.00 0.53 0.00 0.00 43.42 42.92 3mty n LEU 155 CO 0.35 -0.12 -0.28 -1.10 -1.11 0.00 0.00 177.39 175.13 3mty s GLN 156 N 0.74 2.66 0.06 1.96 -1.52 -0.62 -0.85 119.66 122.09 3mty s GLN 156 Ca 0.75 -0.96 0.05 0.00 -1.95 0.00 0.00 55.36 53.25 3mty s GLN 156 Cb -0.60 -2.52 -0.03 0.00 -0.22 0.00 0.00 33.01 29.64 3mty s GLN 156 CO 0.38 0.48 -0.14 1.14 -0.25 0.00 0.00 175.29 176.90 3mty s GLN 157 N -2.95 0.85 0.00 2.91 -2.07 0.17 -1.53 119.66 117.04 3mty s GLN 157 Ca 0.29 -0.90 -0.00 0.00 -1.82 0.00 0.00 55.36 52.93 3mty s GLN 157 Cb -0.10 -0.86 -0.00 0.00 -1.09 0.00 0.00 33.01 30.96 3mty s GLN 157 CO 0.21 0.20 0.00 0.00 -1.32 0.00 0.00 175.29 174.38 3mty s ALA 158 N -1.15 0.00 -0.34 2.60 0.00 -0.46 -0.60 121.76 121.82 3mty s ALA 158 Ca -0.01 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 3mty s ALA 158 Cb -0.09 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3mty s ALA 158 CO 0.02 -0.02 1.11 -0.47 0.00 0.00 0.00 175.76 176.40 3mty s TYR 159 N -0.13 3.06 -0.33 0.00 5.04 -1.26 -1.36 117.35 122.37 3mty s TYR 159 Ca -0.01 1.11 -0.00 0.00 -2.44 0.00 0.00 57.07 55.72 3mty s TYR 159 Cb -0.01 -3.80 0.10 0.00 0.35 0.00 0.00 41.96 38.60 3mty s TYR 159 CO -0.00 -0.92 0.11 -0.51 -1.34 0.00 0.00 175.55 172.89 3mty s LEU 160 N 3.82 2.33 0.59 6.97 1.43 -0.01 -4.95 118.68 128.86 3mty s LEU 160 Ca 0.47 -1.77 -0.15 0.00 -1.03 0.00 0.00 54.13 51.65 3mty s LEU 160 Cb -0.12 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 3mty s LEU 160 CO 0.18 -0.40 1.04 -2.16 0.23 0.00 0.00 176.35 175.24 3mty s PRO 161 N 1.45 3.43 0.65 1.29 0.04 -1.26 -3.75 135.00 136.86 3mty s PRO 161 Ca 0.11 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 3mty s PRO 161 Cb -0.18 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 3mty s PRO 161 CO -0.22 -0.71 1.12 0.95 0.04 0.00 0.00 177.00 178.19 3mty s THR 162 N -2.56 3.17 -0.22 1.26 -4.23 -0.45 -0.80 115.64 111.80 3mty s THR 162 Ca 0.62 0.57 0.02 0.00 -1.18 0.00 0.00 61.69 61.72 3mty s THR 162 Cb -0.14 -3.11 0.05 0.00 1.34 0.00 0.00 72.50 70.64 3mty s THR 162 CO 0.38 -0.31 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.33 3mty s VAL 163 N -2.22 1.98 1.04 2.29 1.01 -0.13 -0.64 120.40 123.72 3mty s VAL 163 Ca 0.68 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 3mty s VAL 163 Cb -0.22 -2.01 0.21 0.00 0.00 0.00 0.00 36.38 34.37 3mty s VAL 163 CO 0.39 0.16 1.07 1.51 0.00 0.00 0.00 175.10 178.24 3mty s ASP 164 N 1.24 2.20 0.20 3.32 1.47 -1.26 -3.99 116.67 119.85 3mty s ASP 164 Ca -0.03 1.36 -0.10 0.00 1.18 0.00 0.00 52.55 54.95 3mty s ASP 164 Cb -0.17 -2.06 0.21 0.00 -0.34 0.00 0.00 42.92 40.56 3mty s ASP 164 CO -0.08 -3.42 1.80 0.22 0.68 0.00 0.00 175.17 174.37 3mty h TYR 165 N -2.09 0.61 -0.80 2.11 3.20 -1.93 0.25 116.97 118.31 3mty h TYR 165 Ca -0.56 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.40 3mty h TYR 165 Cb 1.32 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 39.35 3mty h TYR 165 CO 0.31 0.29 0.48 0.00 -1.64 0.00 0.00 178.16 177.60 3mty h ALA 166 N 1.33 1.11 0.05 1.82 0.00 -1.97 0.15 119.26 121.74 3mty h ALA 166 Ca 0.28 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3mty h ALA 166 Cb 0.17 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3mty h ALA 166 CO -0.18 0.18 -0.44 0.82 0.00 0.00 0.00 179.25 179.64 3mty h ILE 167 N 0.86 1.58 -0.17 0.00 2.04 -1.79 -3.33 117.51 116.70 3mty h ILE 167 Ca 0.36 -2.29 -0.04 0.00 1.00 0.00 0.00 64.86 63.89 3mty h ILE 167 Cb 0.22 3.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 3mty h ILE 167 CO -0.19 0.63 -0.09 0.00 0.00 0.00 0.00 178.15 178.50 3mty n SER 169 N -4.30 6.15 0.00 0.00 3.41 0.01 -0.70 113.62 118.19 3mty n SER 169 Ca -0.00 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 3mty n SER 169 Cb 0.24 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 3mty n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mty n SER 170 N 2.70 0.00 0.00 4.04 3.41 -1.26 -3.50 113.62 119.01 3mty n SER 170 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3mty n SER 170 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3mty n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mty n TYR 171 N 0.00 0.00 1.02 7.33 4.02 -1.26 -4.82 117.16 123.46 3mty n TYR 171 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 3mty n TYR 171 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.33 3mty n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3mty n TRP 172 N 0.00 0.00 -4.01 -0.72 7.02 0.12 -4.87 117.44 114.99 3mty n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3mty n TRP 172 Cb 0.00 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.86 3mty n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mty n GLY 173 N 1.45 1.21 0.38 6.99 0.00 -1.23 -1.48 105.19 112.51 3mty n GLY 173 Ca 0.07 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.53 3mty n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mty n SER 174 N -2.74 0.85 -0.08 1.61 3.41 -1.26 -3.01 113.62 112.40 3mty n SER 174 Ca 0.00 -2.03 -0.10 0.00 -0.26 0.00 0.00 58.87 56.48 3mty n SER 174 Cb 0.00 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 3mty n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mty h THR 175 N 0.24 1.18 -4.13 6.66 2.02 -1.62 -3.43 112.91 113.82 3mty h THR 175 Ca 0.00 -0.56 -0.48 0.00 0.77 0.00 0.00 66.41 66.14 3mty h THR 175 Cb 0.37 1.06 0.04 0.00 -1.74 0.00 0.00 68.15 67.88 3mty h THR 175 CO 0.02 0.19 0.38 0.54 0.37 0.00 0.00 175.52 177.01 3mty s VAL 176 N -5.50 3.88 0.26 3.16 0.11 -1.16 -4.75 120.40 116.39 3mty s VAL 176 Ca -0.13 1.04 0.07 0.00 -2.93 0.00 0.00 61.98 60.02 3mty s VAL 176 Cb 0.08 -3.45 -0.05 0.00 -1.53 0.00 0.00 36.38 31.42 3mty s VAL 176 CO 0.72 -0.38 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.49 3mty s LYS 177 N -3.62 1.49 0.32 1.54 -0.14 -1.26 -4.95 119.74 113.12 3mty s LYS 177 Ca 0.65 -1.73 0.25 0.00 -1.36 0.00 0.00 55.97 53.78 3mty s LYS 177 Cb -0.15 -1.14 1.12 0.00 -1.68 0.00 0.00 37.83 35.98 3mty s LYS 177 CO 0.27 0.08 1.75 -0.97 -0.76 0.00 0.00 175.35 175.72 3mty h ASN 178 N 2.36 0.00 0.00 2.83 -1.24 -1.98 -1.72 115.58 115.82 3mty h ASN 178 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 3mty h ASN 178 Cb 1.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.28 3mty h ASN 178 CO 0.66 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 175.26 3mty n SER 179 N -2.37 0.00 -4.37 1.15 3.41 -1.26 -4.83 113.62 105.35 3mty n SER 179 Ca 0.01 -1.79 -0.22 0.00 -0.26 0.00 0.00 58.87 56.60 3mty n SER 179 Cb 0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 3mty n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3mty s MET 180 N -2.00 1.38 -0.09 4.33 -1.94 -0.65 -0.75 119.30 119.58 3mty s MET 180 Ca 0.07 -1.51 0.01 0.00 -1.71 0.00 0.00 55.69 52.56 3mty s MET 180 Cb 0.03 -1.45 -0.02 0.00 2.01 0.00 0.00 34.83 35.41 3mty s MET 180 CO 0.06 0.29 -0.13 0.08 -0.01 0.00 0.00 175.02 175.31 3mty s VAL 181 N -2.19 3.13 -0.06 -6.03 1.01 0.39 -4.68 120.40 111.96 3mty s VAL 181 Ca 0.20 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3mty s VAL 181 Cb -0.05 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3mty s VAL 181 CO 0.08 0.56 0.11 0.00 0.00 0.00 0.00 175.10 175.85 3mty s ALA 183 N -1.12 -0.79 0.00 0.00 0.00 -0.34 -0.96 121.76 118.55 3mty s ALA 183 Ca 0.20 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3mty s ALA 183 Cb -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3mty s ALA 183 CO 0.10 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3mty n GLY 184 N 2.65 0.92 1.90 0.00 0.00 0.02 -1.10 105.19 109.59 3mty n GLY 184 Ca -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3mty n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mty n GLY 185 N 0.00 0.43 0.18 -0.02 0.00 -1.26 -4.67 105.19 99.85 3mty n GLY 185 Ca 0.00 -0.90 0.15 0.00 0.00 0.00 0.00 46.02 45.27 3mty n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mty n ASP 186 N 1.63 0.59 0.00 1.61 3.85 -1.26 -1.36 116.55 121.61 3mty n ASP 186 Ca 0.00 -1.02 0.00 0.00 -0.71 0.00 0.00 54.79 53.06 3mty n ASP 186 Cb 0.00 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 3mty n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mty n GLY 187 N 1.14 1.11 0.55 6.12 0.00 -1.26 -4.78 105.19 108.07 3mty n GLY 187 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 3mty n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mty n VAL 188 N -2.00 0.02 -5.01 1.61 0.31 -1.26 -4.64 118.33 107.36 3mty n VAL 188 Ca 0.00 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 64.00 3mty n VAL 188 Cb 0.00 -1.07 -0.14 0.00 -0.91 0.00 0.00 33.84 31.72 3mty n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3mty s ARG 188 N -2.01 2.30 -0.20 5.55 0.52 -1.26 -3.77 118.95 120.09 3mty s ARG 188 Ca -0.01 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 3mty s ARG 188 Cb 0.00 -2.23 0.15 0.00 0.52 0.00 0.00 34.95 33.39 3mty s ARG 188 CO 0.01 0.59 1.14 0.45 0.02 0.00 0.00 175.30 177.51 3mty s SER 189 N -0.78 -0.23 1.09 0.23 0.15 -0.75 -4.39 113.70 109.03 3mty s SER 189 Ca 0.11 0.22 -0.12 0.00 0.70 0.00 0.00 55.95 56.87 3mty s SER 189 Cb -0.10 0.19 0.24 0.00 -1.71 0.00 0.00 66.02 64.64 3mty s SER 189 CO 0.01 -0.23 1.04 0.61 1.20 0.00 0.00 173.24 175.86 3mty n GLY 190 N 0.55 -1.49 3.65 9.45 0.00 -1.26 -0.50 105.19 115.59 3mty n GLY 190 Ca -0.06 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 3mty n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mty n GLN 192 N -0.56 2.54 0.00 0.00 3.00 -1.26 -1.27 117.38 119.83 3mty n GLN 192 Ca -0.04 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 3mty n GLN 192 Cb 0.61 -2.61 0.00 0.00 0.00 0.00 0.00 30.24 28.24 3mty n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mty n GLY 193 N 1.19 1.06 0.12 1.08 0.00 -1.26 -0.51 105.19 106.87 3mty n GLY 193 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3mty n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mty h ASP 194 N 0.00 0.00 -2.55 1.61 3.32 -1.46 -3.30 116.42 114.03 3mty h ASP 194 Ca 0.00 -0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.44 3mty h ASP 194 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 3mty h ASP 194 CO 0.00 0.00 -0.11 -1.20 -1.72 0.00 0.00 179.24 176.21 3mty n SER 195 N -2.70 0.24 0.00 6.45 7.64 -1.26 -1.80 113.62 122.20 3mty n SER 195 Ca 0.00 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.89 3mty n SER 195 Cb 0.55 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 3mty n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mty n GLY 196 N 1.48 3.12 3.94 0.23 0.00 0.46 -0.46 105.19 113.96 3mty n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3mty n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mty s GLY 197 N -1.74 1.80 0.43 -0.02 0.00 -0.75 -3.19 107.32 103.84 3mty s GLY 197 Ca 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 44.72 43.29 3mty s GLY 197 CO 0.00 -0.47 0.90 2.56 0.00 0.00 0.00 173.10 176.09 3mty s PRO 198 N -5.90 4.07 -0.27 2.90 0.04 -1.26 -0.88 135.00 133.70 3mty s PRO 198 Ca 0.75 0.92 -0.04 0.00 0.04 0.00 0.00 61.00 62.67 3mty s PRO 198 Cb -0.03 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.28 3mty s PRO 198 CO 0.53 -0.05 0.01 -1.17 0.04 0.00 0.00 177.00 176.35 3mty s LEU 199 N -3.43 3.49 -0.24 -3.56 2.96 -0.38 -3.26 118.68 114.26 3mty s LEU 199 Ca 0.59 -0.78 -0.13 0.00 -0.22 0.00 0.00 54.13 53.58 3mty s LEU 199 Cb -0.10 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3mty s LEU 199 CO 0.20 -0.15 0.28 -1.00 -1.32 0.00 0.00 176.35 174.36 3mty s HIS 200 N 1.41 3.30 -0.03 5.38 3.76 0.08 -1.19 115.29 128.01 3mty s HIS 200 Ca 0.01 0.36 0.05 0.00 -0.15 0.00 0.00 55.06 55.34 3mty s HIS 200 Cb -0.17 -2.42 -0.01 0.00 1.11 0.00 0.00 32.58 31.09 3mty s HIS 200 CO -0.01 -0.05 -0.19 0.00 -0.85 0.00 0.00 174.74 173.63 3mty s LEU 202 N -0.24 4.15 -0.04 0.00 2.96 -0.91 -1.41 118.68 123.19 3mty s LEU 202 Ca 0.02 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 3mty s LEU 202 Cb -0.10 -2.92 0.03 0.00 0.50 0.00 0.00 46.19 43.70 3mty s LEU 202 CO 0.01 -0.59 0.03 -0.69 -1.32 0.00 0.00 176.35 173.79 3mty s VAL 203 N 2.82 0.03 -1.60 1.68 1.01 0.05 -4.73 120.40 119.66 3mty s VAL 203 Ca 0.28 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 3mty s VAL 203 Cb -0.14 -0.21 0.11 0.00 0.00 0.00 0.00 36.38 36.14 3mty s VAL 203 CO 0.14 0.16 0.91 0.59 0.00 0.00 0.00 175.10 176.90 3mty n ASN 204 N 4.74 -4.31 0.00 3.32 3.02 -1.26 -1.79 115.26 118.98 3mty n ASN 204 Ca -0.15 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3mty n ASN 204 Cb 0.50 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.20 3mty n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mty n GLY 205 N -1.57 1.82 3.35 7.41 0.00 -1.26 -5.02 105.19 109.91 3mty n GLY 205 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3mty n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mty s GLN 206 N -0.27 1.60 0.19 1.61 -1.52 -0.74 -5.11 119.66 115.42 3mty s GLN 206 Ca 0.00 -1.18 -0.29 0.00 -1.95 0.00 0.00 55.36 51.95 3mty s GLN 206 Cb 0.00 -1.88 -0.08 0.00 -0.22 0.00 0.00 33.01 30.83 3mty s GLN 206 CO 0.00 0.47 0.90 0.71 -0.25 0.00 0.00 175.29 177.12 3mty s TYR 207 N -0.90 3.92 0.09 0.91 2.02 -1.26 -0.77 117.35 121.36 3mty s TYR 207 Ca 0.12 1.81 0.03 0.00 -0.37 0.00 0.00 57.07 58.67 3mty s TYR 207 Cb -0.10 -2.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 3mty s TYR 207 CO 0.03 0.41 -0.10 0.00 -1.57 0.00 0.00 175.55 174.33 3mty s ALA 208 N -0.87 1.07 -0.73 3.71 0.00 -0.50 -4.69 121.76 119.75 3mty s ALA 208 Ca 0.41 -1.19 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 3mty s ALA 208 Cb -0.25 0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.01 3mty s ALA 208 CO 0.30 -0.06 0.99 0.08 0.00 0.00 0.00 175.76 177.07 3mty s VAL 209 N -2.53 4.48 -0.32 0.00 1.01 0.48 -0.61 120.40 122.91 3mty s VAL 209 Ca 0.05 -0.75 0.23 0.00 0.00 0.00 0.00 61.98 61.51 3mty s VAL 209 Cb -0.02 -4.69 0.11 0.00 0.00 0.00 0.00 36.38 31.78 3mty s VAL 209 CO -0.00 -1.44 1.24 0.45 0.00 0.00 0.00 175.10 175.34 3mty h HIS 210 N 9.34 0.00 -3.91 5.22 3.86 -1.46 -3.38 115.15 124.82 3mty h HIS 210 Ca -0.17 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.76 3mty h HIS 210 Cb 1.06 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.33 3mty h HIS 210 CO 1.01 0.00 -0.73 0.20 0.86 0.00 0.00 177.93 179.27 3mty s GLY 211 N -4.28 0.63 -0.23 2.45 0.00 -1.14 -1.51 107.32 103.23 3mty s GLY 211 Ca 0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.79 3mty s GLY 211 CO 0.75 -1.00 -0.08 0.14 0.00 0.00 0.00 173.10 172.91 3mty s VAL 212 N -1.86 2.86 0.16 1.40 1.01 -0.64 -1.24 120.40 122.09 3mty s VAL 212 Ca -0.04 -0.90 -0.32 0.00 0.00 0.00 0.00 61.98 60.72 3mty s VAL 212 Cb -0.07 -2.39 -0.12 0.00 0.00 0.00 0.00 36.38 33.80 3mty s VAL 212 CO -0.00 0.29 1.73 0.41 0.00 0.00 0.00 175.10 177.53 3mty n THR 213 N 4.69 0.13 0.01 3.92 -1.04 -0.06 -0.34 114.28 121.58 3mty n THR 213 Ca -0.17 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.05 61.79 3mty n THR 213 Cb 0.48 -1.91 -0.01 0.00 -1.82 0.00 0.00 70.33 67.08 3mty n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3mty n SER 214 N 4.41 0.54 -3.55 8.00 2.88 0.10 -0.41 113.62 125.60 3mty n SER 214 Ca 0.17 0.08 -0.11 0.00 -1.33 0.00 0.00 58.87 57.67 3mty n SER 214 Cb 0.34 -0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 63.58 3mty n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mty s PHE 215 N -2.05 -0.36 0.37 0.66 -0.71 -0.69 -4.94 117.98 110.26 3mty s PHE 215 Ca -0.03 0.12 0.04 0.00 -1.04 0.00 0.00 56.93 56.02 3mty s PHE 215 Cb 0.01 0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 42.15 3mty s PHE 215 CO 0.04 -0.75 0.06 0.14 -1.34 0.00 0.00 175.22 173.37 3mty s VAL 216 N -3.61 1.18 0.72 -2.49 -7.23 -1.26 -1.18 120.40 106.53 3mty s VAL 216 Ca 0.01 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.04 3mty s VAL 216 Cb 0.00 -2.68 0.03 0.00 0.56 0.00 0.00 36.38 34.30 3mty s VAL 216 CO -0.11 0.00 1.13 -0.94 -0.31 0.00 0.00 175.10 174.87 3mty s SER 217 N -3.58 4.62 0.41 4.85 1.04 -1.23 -4.91 113.70 114.91 3mty s SER 217 Ca 0.31 2.05 0.17 0.00 0.48 0.00 0.00 55.95 58.97 3mty s SER 217 Cb 0.07 -2.55 0.90 0.00 0.10 0.00 0.00 66.02 64.54 3mty s SER 217 CO 0.15 -1.96 1.88 0.03 0.98 0.00 0.00 173.24 174.31 3mty h ARG 217 N -0.42 0.00 -0.74 4.02 3.08 -2.00 -3.02 114.38 115.29 3mty h ARG 217 Ca -0.46 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.54 3mty h ARG 217 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 3mty h ARG 217 CO 0.52 0.30 0.26 -0.07 -1.07 0.00 0.00 179.97 179.90 3mty h LEU 218 N 0.00 1.05 0.00 3.04 3.38 -2.05 -3.48 115.31 117.25 3mty h LEU 218 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3mty h LEU 218 Cb 0.60 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3mty h LEU 218 CO 0.04 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.13 3mty n GLY 219 N -0.84 0.91 0.16 0.83 0.00 -1.14 -5.07 105.19 100.04 3mty n GLY 219 Ca 0.06 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 3mty n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mty s ASN 221 N -4.20 6.96 -0.13 0.00 4.22 -1.26 -4.71 114.94 115.82 3mty s ASN 221 Ca -0.05 -2.81 0.03 0.00 -2.14 0.00 0.00 52.86 47.88 3mty s ASN 221 Cb 0.01 -2.34 0.00 0.00 1.28 0.00 0.00 41.25 40.20 3mty s ASN 221 CO 0.15 -0.72 -0.21 -0.69 -2.04 0.00 0.00 177.10 173.58 3mty s VAL 221 N 1.17 2.20 0.28 3.54 1.01 -1.26 -4.62 120.40 122.72 3mty s VAL 221 Ca 0.35 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3mty s VAL 221 Cb -0.06 -1.87 -0.12 0.00 0.00 0.00 0.00 36.38 34.34 3mty s VAL 221 CO -0.05 0.55 1.63 -0.89 0.00 0.00 0.00 175.10 176.33 3mty s THR 222 N 0.61 2.00 -1.12 3.92 2.01 -1.26 -1.30 115.64 120.50 3mty s THR 222 Ca -0.12 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.89 3mty s THR 222 Cb -0.16 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.34 3mty s THR 222 CO 0.03 0.00 0.00 0.54 -0.69 0.00 0.00 174.62 174.50 3mty n ARG 223 N 2.42 -1.09 -3.45 4.92 1.74 -0.47 -4.92 116.66 115.81 3mty n ARG 223 Ca 0.09 0.83 -0.27 0.00 -0.77 0.00 0.00 57.85 57.74 3mty n ARG 223 Cb 0.37 -4.91 -0.09 0.00 -1.02 0.00 0.00 32.46 26.81 3mty n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mty n LYS 224 N -1.97 1.93 -1.23 5.56 4.76 -0.42 -4.17 118.16 122.62 3mty n LYS 224 Ca -0.11 -4.27 -0.35 0.00 -2.87 0.00 0.00 58.31 50.72 3mty n LYS 224 Cb 0.44 -2.02 0.11 0.00 -1.84 0.00 0.00 35.03 31.72 3mty n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3mty n PRO 225 N 1.24 0.35 -1.86 1.97 -0.04 -1.26 -4.52 135.00 130.88 3mty n PRO 225 Ca 0.27 0.18 -0.40 0.00 -0.04 0.00 0.00 63.50 63.51 3mty n PRO 225 Cb 0.43 -2.34 0.01 0.00 -0.04 0.00 0.00 33.50 31.56 3mty n PRO 225 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3mty s THR 226 N -1.97 2.19 -0.10 0.52 2.01 -0.26 -4.75 115.64 113.29 3mty s THR 226 Ca 0.73 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.92 3mty s THR 226 Cb -0.31 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 3mty s THR 226 CO 0.51 0.03 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 3mty s VAL 227 N -1.19 3.00 0.07 3.82 1.01 -0.33 -1.20 120.40 125.59 3mty s VAL 227 Ca 0.58 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.93 3mty s VAL 227 Cb -0.43 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3mty s VAL 227 CO 0.56 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.65 3mty s PHE 228 N -0.07 1.79 0.22 5.22 0.08 0.31 -0.72 117.98 124.80 3mty s PHE 228 Ca -0.03 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.33 3mty s PHE 228 Cb -0.14 -1.03 -0.10 0.00 -0.57 0.00 0.00 43.02 41.19 3mty s PHE 228 CO 0.04 0.15 1.45 0.99 -0.10 0.00 0.00 175.22 177.75 3mty s THR 229 N -0.98 2.75 -0.58 0.64 2.01 0.54 -0.46 115.64 119.55 3mty s THR 229 Ca 0.07 0.60 -0.27 0.00 0.31 0.00 0.00 61.69 62.39 3mty s THR 229 Cb -0.09 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.07 3mty s THR 229 CO 0.03 0.08 1.14 -0.60 -0.69 0.00 0.00 174.62 174.58 3mty s ARG 230 N 0.08 3.47 0.33 4.92 3.52 0.07 -1.61 118.95 129.72 3mty s ARG 230 Ca 0.62 0.13 0.06 0.00 -0.13 0.00 0.00 55.73 56.41 3mty s ARG 230 Cb -0.41 -4.03 0.73 0.00 -1.56 0.00 0.00 34.95 29.68 3mty s ARG 230 CO 0.39 -1.65 1.86 0.28 -0.81 0.00 0.00 175.30 175.37 3mty h VAL 231 N 6.13 0.87 0.00 7.11 2.07 -1.56 -1.48 116.25 129.39 3mty h VAL 231 Ca -0.25 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3mty h VAL 231 Cb 1.06 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3mty h VAL 231 CO 1.17 0.15 0.00 -1.54 0.02 0.00 0.00 177.57 177.36 3mty n SER 232 N -4.57 0.21 -0.00 0.57 3.41 -1.26 -0.80 113.62 111.17 3mty n SER 232 Ca 0.17 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 3mty n SER 232 Cb 0.42 -0.60 0.50 0.00 -0.26 0.00 0.00 64.21 64.26 3mty n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mty n ALA 233 N -1.59 2.76 -0.61 7.33 0.00 -0.56 -1.42 120.51 126.42 3mty n ALA 233 Ca 0.02 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.31 3mty n ALA 233 Cb 0.15 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.30 3mty n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mty n TYR 234 N -1.48 0.00 -0.09 0.00 4.02 0.02 -4.79 117.16 114.84 3mty n TYR 234 Ca 0.07 -0.59 -0.08 0.00 -0.01 0.00 0.00 57.90 57.28 3mty n TYR 234 Cb 0.34 -0.08 -0.01 0.00 -0.02 0.00 0.00 39.34 39.57 3mty n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3mty h ILE 235 N 0.78 1.02 -0.71 -0.72 1.08 -1.72 -0.01 117.51 117.23 3mty h ILE 235 Ca 0.00 -0.12 -0.07 0.00 -0.39 0.00 0.00 64.86 64.28 3mty h ILE 235 Cb 0.79 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 3mty h ILE 235 CO 0.00 0.06 0.17 0.77 -0.69 0.00 0.00 178.15 178.47 3mty h SER 236 N 0.36 1.08 -0.10 1.72 4.64 -1.92 -0.90 113.55 118.42 3mty h SER 236 Ca 0.12 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3mty h SER 236 Cb 0.01 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 3mty h SER 236 CO -0.07 1.03 0.02 -0.25 -0.87 0.00 0.00 176.83 176.69 3mty h TRP 237 N 1.08 0.03 -0.13 4.77 7.01 -1.77 0.25 115.95 127.18 3mty h TRP 237 Ca 0.22 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.26 3mty h TRP 237 Cb 0.37 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 3mty h TRP 237 CO 0.03 0.01 -0.06 0.82 -2.79 0.00 0.00 178.44 176.45 3mty h ILE 238 N 0.06 0.79 -0.80 2.65 2.04 -0.83 -0.71 117.51 120.71 3mty h ILE 238 Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3mty h ILE 238 Cb 0.04 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3mty h ILE 238 CO -0.06 0.00 0.39 0.78 0.00 0.00 0.00 178.15 179.26 3mty h ASN 239 N -0.05 1.04 -0.62 1.72 2.35 -0.98 -1.53 115.58 117.51 3mty h ASN 239 Ca 0.07 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 3mty h ASN 239 Cb 0.16 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3mty h ASN 239 CO -0.17 0.87 0.14 0.78 -1.65 0.00 0.00 177.43 177.40 3mty h ASN 240 N 1.14 0.95 -0.29 5.81 2.35 -0.48 -1.06 115.58 124.00 3mty h ASN 240 Ca 0.28 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3mty h ASN 240 Cb 0.10 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3mty h ASN 240 CO -0.04 0.94 0.08 0.58 -1.65 0.00 0.00 177.43 177.35 3mty h VAL 241 N 0.91 1.21 -0.72 2.81 2.07 -0.76 -1.94 116.25 119.83 3mty h VAL 241 Ca 0.19 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3mty h VAL 241 Cb 0.37 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3mty h VAL 241 CO 0.00 0.22 0.17 0.40 0.02 0.00 0.00 177.57 178.39 3mty h ILE 242 N 0.30 1.26 0.00 4.57 2.04 -1.18 -2.21 117.51 122.30 3mty h ILE 242 Ca 0.09 -0.98 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 3mty h ILE 242 Cb 0.26 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3mty h ILE 242 CO -0.00 0.38 -0.30 0.00 0.00 0.00 0.00 178.15 178.23 3mty h ALA 243 N 1.09 1.20 0.00 1.87 0.00 -1.06 -2.87 119.26 119.50 3mty h ALA 243 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3mty h ALA 243 Cb 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3mty h ALA 243 CO 0.00 0.37 -0.56 0.77 0.00 0.00 0.00 179.25 179.84 3mty h SER 244 N 0.00 0.00 0.00 0.00 0.02 -0.91 -3.51 113.55 109.15 3mty h SER 244 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mty h SER 244 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3mty h SER 244 CO 0.04 0.03 0.00 0.59 -1.14 0.00 0.00 176.83 176.35