#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mnc s VAL 17 N 0.00 5.02 -0.66 2.52 1.01 0.18 -4.16 120.40 124.31 3mnc s VAL 17 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3mnc s VAL 17 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3mnc s VAL 17 CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3mnc n GLY 18 N 2.65 0.48 3.29 4.51 0.00 -1.25 -1.89 105.19 112.98 3mnc n GLY 18 Ca -0.08 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 3mnc n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mnc n GLY 19 N -1.55 0.45 3.33 -0.02 0.00 -1.26 -4.80 105.19 101.34 3mnc n GLY 19 Ca -0.08 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 43.78 3mnc n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mnc s THR 20 N -2.67 1.66 -0.08 2.61 -4.23 0.15 -4.92 115.64 108.15 3mnc s THR 20 Ca 0.57 -2.18 -0.30 0.00 -1.18 0.00 0.00 61.69 58.60 3mnc s THR 20 Cb -0.03 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 3mnc s THR 20 CO 0.38 -0.61 1.23 -0.70 -0.54 0.00 0.00 174.62 174.38 3mnc s GLU 21 N -3.64 4.31 0.51 3.99 2.12 -1.26 -0.63 118.70 124.11 3mnc s GLU 21 Ca 0.21 1.69 -0.22 0.00 0.36 0.00 0.00 54.97 57.02 3mnc s GLU 21 Cb -0.00 -3.62 -0.06 0.00 0.26 0.00 0.00 34.13 30.71 3mnc s GLU 21 CO 0.06 -0.53 1.24 0.00 -0.54 0.00 0.00 175.26 175.49 3mnc s ALA 22 N 2.61 2.85 0.51 6.30 0.00 -0.18 -4.88 121.76 128.98 3mnc s ALA 22 Ca 0.56 1.09 -0.22 0.00 0.00 0.00 0.00 51.96 53.39 3mnc s ALA 22 Cb -0.24 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 3mnc s ALA 22 CO 0.20 -1.00 1.26 -0.65 0.00 0.00 0.00 175.76 175.57 3mnc s GLN 23 N -2.88 3.41 0.08 0.00 -1.52 -1.26 -4.88 119.66 112.60 3mnc s GLN 23 Ca 0.69 2.00 0.18 0.00 -1.95 0.00 0.00 55.36 56.27 3mnc s GLN 23 Cb -0.33 -2.30 0.74 0.00 -0.22 0.00 0.00 33.01 30.90 3mnc s GLN 23 CO 0.39 -0.90 1.55 2.89 -0.25 0.00 0.00 175.29 178.97 3mnc n ARG 24 N -0.82 0.06 -0.14 2.91 1.85 -1.26 -2.12 116.66 117.14 3mnc n ARG 24 Ca 0.09 0.29 0.06 0.00 -1.00 0.00 0.00 57.85 57.30 3mnc n ARG 24 Cb 0.47 -1.61 0.13 0.00 -1.05 0.00 0.00 32.46 30.40 3mnc n ARG 24 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3mnc n ASN 25 N -1.72 2.64 0.03 2.89 0.23 -1.26 -4.70 115.26 113.38 3mnc n ASN 25 Ca 0.03 -2.62 -0.14 0.00 -0.53 0.00 0.00 54.58 51.32 3mnc n ASN 25 Cb 0.20 -0.31 -0.04 0.00 -2.08 0.00 0.00 39.78 37.55 3mnc n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3mnc h SER 26 N 0.65 0.69 -2.10 0.53 0.02 -1.76 -3.39 113.55 108.18 3mnc h SER 26 Ca 0.00 -0.49 -0.56 0.00 -0.84 0.00 0.00 61.79 59.90 3mnc h SER 26 Cb 0.91 -0.21 -0.41 0.00 0.14 0.00 0.00 62.40 62.84 3mnc h SER 26 CO 0.04 1.27 -0.91 0.79 -1.14 0.00 0.00 176.83 176.89 3mnc n TRP 27 N -3.84 1.60 1.00 3.45 7.02 -1.26 -4.95 117.44 120.45 3mnc n TRP 27 Ca -0.07 -3.85 0.10 0.00 -1.02 0.00 0.00 57.50 52.66 3mnc n TRP 27 Cb 0.78 -0.45 0.53 0.00 -2.42 0.00 0.00 31.31 29.75 3mnc n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3mnc n PRO 28 N 0.72 0.30 0.00 -0.99 -0.04 -1.26 -1.75 135.00 131.98 3mnc n PRO 28 Ca 0.26 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 3mnc n PRO 28 Cb 0.50 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.77 3mnc n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mnc n SER 29 N -1.28 0.50 -4.74 3.54 3.41 -1.22 -1.94 113.62 111.89 3mnc n SER 29 Ca 0.10 -0.25 -0.41 0.00 -0.26 0.00 0.00 58.87 58.05 3mnc n SER 29 Cb 0.17 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 3mnc n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3mnc s GLN 30 N -2.94 4.29 0.26 4.33 2.00 -0.72 -0.95 119.66 125.93 3mnc s GLN 30 Ca 0.13 2.25 0.10 0.00 -2.00 0.00 0.00 55.36 55.85 3mnc s GLN 30 Cb 0.18 -3.14 -0.05 0.00 0.80 0.00 0.00 33.01 30.80 3mnc s GLN 30 CO 0.66 -0.41 -0.17 0.96 -0.50 0.00 0.00 175.29 175.82 3mnc s ILE 31 N 0.20 2.21 -0.23 -2.34 -5.25 -0.49 -4.54 121.20 110.76 3mnc s ILE 31 Ca 0.60 -2.33 -0.06 0.00 -0.99 0.00 0.00 60.65 57.87 3mnc s ILE 31 Cb -0.41 -2.23 -0.03 0.00 2.95 0.00 0.00 42.46 42.75 3mnc s ILE 31 CO 0.40 -0.46 0.04 -0.55 -1.79 0.00 0.00 174.94 172.58 3mnc s SER 32 N -3.45 4.98 -0.22 4.36 0.15 -0.68 -2.72 113.70 116.13 3mnc s SER 32 Ca 0.28 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.58 3mnc s SER 32 Cb -0.03 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 3mnc s SER 32 CO 0.12 0.01 0.32 -0.22 1.20 0.00 0.00 173.24 174.68 3mnc s LEU 33 N 1.33 4.13 0.13 3.45 2.96 0.67 -0.91 118.68 130.43 3mnc s LEU 33 Ca 0.05 0.36 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 3mnc s LEU 33 Cb -0.15 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 3mnc s LEU 33 CO 0.02 -0.05 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.74 3mnc s GLN 34 N 1.33 1.10 0.16 1.98 -0.21 -0.15 -1.04 119.66 122.83 3mnc s GLN 34 Ca 0.15 -1.25 0.10 0.00 0.02 0.00 0.00 55.36 54.38 3mnc s GLN 34 Cb -0.14 -1.12 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 3mnc s GLN 34 CO 0.07 0.23 -0.23 1.52 -2.12 0.00 0.00 175.29 174.77 3mnc s TYR 35 N -1.83 2.10 0.03 0.91 1.13 -0.24 -1.03 117.35 118.41 3mnc s TYR 35 Ca 0.09 -0.40 -0.30 0.00 -1.41 0.00 0.00 57.07 55.05 3mnc s TYR 35 Cb -0.07 -1.07 -0.05 0.00 -1.10 0.00 0.00 41.96 39.67 3mnc s TYR 35 CO 0.04 0.38 1.15 0.50 -2.51 0.00 0.00 175.55 175.11 3mnc s ARG 36 N -2.46 4.45 -0.32 -3.49 3.52 -0.49 -1.06 118.95 119.09 3mnc s ARG 36 Ca 0.16 1.68 -0.01 0.00 -0.13 0.00 0.00 55.73 57.42 3mnc s ARG 36 Cb -0.08 -3.40 0.11 0.00 -1.56 0.00 0.00 34.95 30.02 3mnc s ARG 36 CO 0.07 -0.24 0.14 0.45 -0.81 0.00 0.00 175.30 174.91 3mnc s SER 36 N 1.11 3.70 1.92 -2.12 0.15 0.09 -4.81 113.70 113.73 3mnc s SER 36 Ca 0.57 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 55.53 3mnc s SER 36 Cb -0.27 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 3mnc s SER 36 CO 0.28 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.93 3mnc n GLY 36 N 4.75 4.12 1.67 9.45 0.00 -1.26 -1.20 105.19 122.72 3mnc n GLY 36 Ca -0.00 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.22 3mnc n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mnc n SER 36 N 9.12 4.97 -0.95 1.61 2.88 -1.26 -4.95 113.62 125.04 3mnc n SER 36 Ca 0.00 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.99 3mnc n SER 36 Cb 0.00 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 3mnc n SER 36 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3mnc n SER 37 N 1.03 0.05 -4.15 -3.46 3.41 -0.34 -5.17 113.62 104.99 3mnc n SER 37 Ca 0.26 -0.92 -0.21 0.00 -0.26 0.00 0.00 58.87 57.74 3mnc n SER 37 Cb 0.96 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.77 3mnc n SER 37 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3mnc s TRP 38 N -1.90 1.29 -0.06 7.33 0.52 -1.26 -0.73 118.94 124.13 3mnc s TRP 38 Ca 0.00 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.80 3mnc s TRP 38 Cb 0.00 -0.77 0.01 0.00 -1.15 0.00 0.00 33.47 31.56 3mnc s TRP 38 CO 0.00 0.04 -0.15 0.00 0.02 0.00 0.00 176.95 176.86 3mnc s ALA 39 N -0.83 1.40 0.26 0.98 0.00 -0.23 -4.89 121.76 118.45 3mnc s ALA 39 Ca 0.02 -0.54 -0.31 0.00 0.00 0.00 0.00 51.96 51.14 3mnc s ALA 39 Cb -0.08 -0.56 -0.11 0.00 0.00 0.00 0.00 23.12 22.37 3mnc s ALA 39 CO 0.01 0.18 1.63 -1.58 0.00 0.00 0.00 175.76 176.00 3mnc s HIS 40 N 0.43 2.81 0.00 0.00 2.46 -1.26 -1.08 115.29 118.65 3mnc s HIS 40 Ca -0.11 0.64 0.00 0.00 0.47 0.00 0.00 55.06 56.06 3mnc s HIS 40 Cb -0.14 -4.08 0.00 0.00 -0.13 0.00 0.00 32.58 28.22 3mnc s HIS 40 CO 0.04 -3.80 0.00 -2.37 -2.47 0.00 0.00 174.74 166.13 3mnc n THR 41 N 2.80 0.00 -3.74 0.89 5.66 -0.21 -4.92 114.28 114.77 3mnc n THR 41 Ca 0.11 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.10 3mnc n THR 41 Cb 0.37 -0.74 -0.00 0.00 -1.55 0.00 0.00 70.33 68.40 3mnc n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mnc n GLY 43 N -0.55 1.11 3.78 0.00 0.00 0.36 -0.24 105.19 109.66 3mnc n GLY 43 Ca -0.06 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.88 3mnc n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mnc s GLY 44 N -4.34 -0.21 -0.08 -0.02 0.00 -1.10 -3.57 107.32 97.99 3mnc s GLY 44 Ca 0.50 0.23 0.03 0.00 0.00 0.00 0.00 44.72 45.48 3mnc s GLY 44 CO 0.33 1.85 -0.15 -1.59 0.00 0.00 0.00 173.10 173.53 3mnc s THR 45 N -2.43 1.41 -0.12 0.90 2.01 0.04 -1.39 115.64 116.06 3mnc s THR 45 Ca 0.19 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 3mnc s THR 45 Cb 0.01 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 3mnc s THR 45 CO -0.00 0.42 1.42 -0.22 -0.69 0.00 0.00 174.62 175.54 3mnc s LEU 46 N 0.64 4.24 -0.00 4.42 2.96 -0.12 -0.69 118.68 130.12 3mnc s LEU 46 Ca -0.14 1.91 0.04 0.00 -0.22 0.00 0.00 54.13 55.71 3mnc s LEU 46 Cb -0.16 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 3mnc s LEU 46 CO 0.04 -0.82 0.09 2.30 -1.32 0.00 0.00 176.35 176.64 3mnc n ILE 47 N 5.41 0.00 -4.19 6.68 -5.35 -0.24 -0.07 119.36 121.59 3mnc n ILE 47 Ca 0.15 -0.14 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 3mnc n ILE 47 Cb 0.44 0.51 -0.10 0.00 -1.74 0.00 0.00 39.64 38.75 3mnc n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3mnc s ARG 48 N -2.10 1.12 0.62 6.28 1.81 -0.97 -4.75 118.95 120.97 3mnc s ARG 48 Ca -0.01 -1.57 0.37 0.00 -1.72 0.00 0.00 55.73 52.80 3mnc s ARG 48 Cb 0.02 0.21 2.08 0.00 -0.45 0.00 0.00 34.95 36.82 3mnc s ARG 48 CO 0.15 -0.33 2.29 1.96 -0.68 0.00 0.00 175.30 178.69 3mnc h GLN 49 N 2.69 0.00 0.00 3.54 4.20 -1.95 -2.48 115.11 121.10 3mnc h GLN 49 Ca -0.36 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 3mnc h GLN 49 Cb 1.23 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 3mnc h GLN 49 CO 0.56 0.01 -0.27 0.27 -0.67 0.00 0.00 178.83 178.73 3mnc n ASN 50 N -3.41 1.78 -3.86 1.46 6.94 -1.26 -1.17 115.26 115.74 3mnc n ASN 50 Ca -0.03 -3.10 -0.14 0.00 -0.02 0.00 0.00 54.58 51.30 3mnc n ASN 50 Cb 0.10 -0.42 -0.15 0.00 -2.36 0.00 0.00 39.78 36.95 3mnc n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3mnc s TRP 51 N -2.41 0.10 -0.02 -2.53 0.52 -0.94 -0.67 118.94 113.00 3mnc s TRP 51 Ca 0.30 0.01 0.08 0.00 0.02 0.00 0.00 56.10 56.51 3mnc s TRP 51 Cb 0.28 -0.13 -0.02 0.00 -1.15 0.00 0.00 33.47 32.45 3mnc s TRP 51 CO -0.01 -0.03 -0.25 0.08 0.02 0.00 0.00 176.95 176.75 3mnc s VAL 52 N 0.29 2.12 -0.20 4.03 1.01 -0.21 -1.08 120.40 126.36 3mnc s VAL 52 Ca -0.02 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 60.75 3mnc s VAL 52 Cb -0.04 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3mnc s VAL 52 CO -0.01 0.56 0.12 -0.32 0.00 0.00 0.00 175.10 175.45 3mnc s MET 53 N -0.67 4.14 0.15 2.72 1.75 0.13 -0.44 119.30 127.09 3mnc s MET 53 Ca 0.10 -0.25 0.01 0.00 -1.25 0.00 0.00 55.69 54.31 3mnc s MET 53 Cb -0.10 -3.38 -0.00 0.00 2.84 0.00 0.00 34.83 34.18 3mnc s MET 53 CO -0.01 0.29 0.18 -2.37 -0.65 0.00 0.00 175.02 172.46 3mnc n THR 54 N 3.54 0.00 -3.09 10.11 5.66 -0.32 -0.78 114.28 129.40 3mnc n THR 54 Ca -0.16 -0.91 -0.38 0.00 -3.05 0.00 0.00 64.05 59.54 3mnc n THR 54 Cb 0.52 0.51 -0.06 0.00 -1.55 0.00 0.00 70.33 69.75 3mnc n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mnc s ALA 55 N -2.32 3.47 0.26 1.79 0.00 -1.26 -1.18 121.76 122.52 3mnc s ALA 55 Ca 0.15 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.32 3mnc s ALA 55 Cb 0.00 -2.84 0.48 0.00 0.00 0.00 0.00 23.12 20.76 3mnc s ALA 55 CO 0.11 0.33 1.81 0.00 0.00 0.00 0.00 175.76 178.01 3mnc h ALA 56 N 4.06 1.33 0.00 0.00 0.00 -1.69 -2.35 119.26 120.61 3mnc h ALA 56 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3mnc h ALA 56 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3mnc h ALA 56 CO 0.65 0.11 0.00 1.12 0.00 0.00 0.00 179.25 181.14 3mnc h HIS 57 N 0.84 0.00 0.00 0.00 2.07 -1.92 -1.78 115.15 114.36 3mnc h HIS 57 Ca 0.45 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.93 3mnc h HIS 57 Cb 0.47 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.44 3mnc h HIS 57 CO -0.04 0.00 -0.20 0.00 -3.07 0.00 0.00 177.93 174.61 3mnc n VAL 59 N -3.53 2.26 -0.17 0.00 0.24 -0.68 -4.58 118.33 111.87 3mnc n VAL 59 Ca -0.01 -2.14 -0.07 0.00 -2.04 0.00 0.00 64.34 60.08 3mnc n VAL 59 Cb 0.36 -0.27 0.08 0.00 -1.47 0.00 0.00 33.84 32.55 3mnc n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3mnc h ASP 60 N 1.28 0.93 -4.05 -1.34 3.45 -1.46 -3.44 116.42 111.80 3mnc h ASP 60 Ca 0.04 -0.25 -0.47 0.00 0.43 0.00 0.00 57.03 56.78 3mnc h ASP 60 Cb 1.39 -0.25 0.02 0.00 -0.56 0.00 0.00 39.33 39.94 3mnc h ASP 60 CO 0.21 0.98 0.39 -0.13 -1.57 0.00 0.00 179.24 179.12 3mnc s ARG 61 N -5.01 3.90 -0.11 3.56 0.52 -1.26 -4.93 118.95 115.60 3mnc s ARG 61 Ca -0.11 1.38 -0.05 0.00 -0.52 0.00 0.00 55.73 56.43 3mnc s ARG 61 Cb 0.14 -2.18 -0.18 0.00 0.52 0.00 0.00 34.95 33.25 3mnc s ARG 61 CO 0.84 -0.35 3.36 0.39 0.02 0.00 0.00 175.30 179.55 3mnc n GLU 62 N -0.78 2.07 -3.22 3.54 -0.58 -1.26 -4.93 120.64 115.48 3mnc n GLU 62 Ca 0.08 -1.31 -0.19 0.00 -0.42 0.00 0.00 57.16 55.32 3mnc n GLU 62 Cb 0.52 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 3mnc n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3mnc s LEU 63 N -0.55 3.79 -0.26 -4.62 1.43 -1.26 -5.07 118.68 112.15 3mnc s LEU 63 Ca 0.63 -0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 53.38 3mnc s LEU 63 Cb 0.33 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 3mnc s LEU 63 CO -0.05 -0.61 0.65 -0.89 0.23 0.00 0.00 176.35 175.68 3mnc s THR 64 N -2.32 4.96 0.07 5.49 2.01 -1.26 -5.02 115.64 119.57 3mnc s THR 64 Ca 0.49 1.17 0.05 0.00 0.31 0.00 0.00 61.69 63.70 3mnc s THR 64 Cb -0.10 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 3mnc s THR 64 CO 0.33 0.00 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.86 3mnc s PHE 65 N 2.56 2.88 0.11 4.92 0.08 -1.26 -1.40 117.98 125.87 3mnc s PHE 65 Ca 0.27 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.28 3mnc s PHE 65 Cb -0.15 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 3mnc s PHE 65 CO 0.09 0.44 -0.09 -0.98 -0.10 0.00 0.00 175.22 174.58 3mnc s ARG 65 N -2.07 0.89 -0.08 0.44 1.70 -0.19 -2.76 118.95 116.88 3mnc s ARG 65 Ca 0.22 -1.29 -0.00 0.00 -0.47 0.00 0.00 55.73 54.19 3mnc s ARG 65 Cb -0.11 -0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 33.79 3mnc s ARG 65 CO 0.14 0.05 -0.04 0.08 -1.08 0.00 0.00 175.30 174.44 3mnc s VAL 66 N -3.05 3.91 -0.18 4.99 1.01 0.14 -0.98 120.40 126.25 3mnc s VAL 66 Ca 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3mnc s VAL 66 Cb 0.01 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.77 3mnc s VAL 66 CO -0.01 0.59 -0.14 -0.69 0.00 0.00 0.00 175.10 174.85 3mnc s VAL 67 N -0.73 2.61 0.23 2.92 1.01 -0.09 -1.21 120.40 125.13 3mnc s VAL 67 Ca 0.11 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.39 3mnc s VAL 67 Cb -0.11 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3mnc s VAL 67 CO 0.02 0.50 0.21 0.68 0.00 0.00 0.00 175.10 176.50 3mnc s VAL 68 N 1.22 4.58 -1.25 2.92 -7.23 -0.58 -1.68 120.40 118.37 3mnc s VAL 68 Ca 0.02 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3mnc s VAL 68 Cb -0.14 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.35 3mnc s VAL 68 CO -0.07 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 3mnc n GLY 69 N -1.01 0.53 3.85 2.32 0.00 -1.25 -1.26 105.19 108.38 3mnc n GLY 69 Ca -0.08 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 3mnc n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mnc s GLU 70 N -3.97 3.91 0.08 1.61 2.56 -1.26 -3.25 118.70 118.38 3mnc s GLU 70 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 54.97 55.36 3mnc s GLU 70 Cb 0.00 -3.02 0.00 0.00 2.00 0.00 0.00 34.13 33.11 3mnc s GLU 70 CO 0.00 0.55 0.00 1.58 -0.56 0.00 0.00 175.26 176.83 3mnc n HIS 71 N 1.07 -0.53 -3.92 5.30 -0.00 -1.26 -4.94 115.22 110.93 3mnc n HIS 71 Ca -0.08 0.09 -0.35 0.00 -0.00 0.00 0.00 57.72 57.38 3mnc n HIS 71 Cb 0.52 0.28 -0.14 0.00 -0.00 0.00 0.00 29.99 30.65 3mnc n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3mnc s ASN 72 N -5.19 4.41 0.30 0.26 3.84 -1.26 -1.46 114.94 115.84 3mnc s ASN 72 Ca 0.00 -0.72 0.24 0.00 0.21 0.00 0.00 52.86 52.59 3mnc s ASN 72 Cb 0.00 -1.71 1.07 0.00 -0.55 0.00 0.00 41.25 40.06 3mnc s ASN 72 CO 0.00 -0.11 1.74 -0.07 -2.79 0.00 0.00 177.10 175.87 3mnc h LEU 73 N 8.07 0.00 0.00 3.21 3.38 -1.12 -3.07 115.31 125.78 3mnc h LEU 73 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3mnc h LEU 73 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3mnc h LEU 73 CO 0.59 0.00 -0.77 -0.46 0.09 0.00 0.00 178.44 177.89 3mnc n ASN 74 N -2.33 0.82 -4.27 -0.43 6.94 -1.26 -5.01 115.26 109.72 3mnc n ASN 74 Ca 0.01 -0.68 -0.22 0.00 -0.02 0.00 0.00 54.58 53.67 3mnc n ASN 74 Cb 0.20 1.10 -0.12 0.00 -2.36 0.00 0.00 39.78 38.60 3mnc n ASN 74 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3mnc s GLN 75 N -2.34 1.10 -0.19 -3.83 -1.52 -1.16 -5.10 119.66 106.62 3mnc s GLN 75 Ca 0.03 -1.19 -0.29 0.00 -1.95 0.00 0.00 55.36 51.96 3mnc s GLN 75 Cb 0.10 -1.25 -0.02 0.00 -0.22 0.00 0.00 33.01 31.62 3mnc s GLN 75 CO 0.54 0.28 1.47 1.21 -0.25 0.00 0.00 175.29 178.54 3mnc s ASN 76 N -2.09 6.64 0.15 5.90 2.47 -1.26 -4.62 114.94 122.12 3mnc s ASN 76 Ca 0.07 1.68 0.24 0.00 0.42 0.00 0.00 52.86 55.27 3mnc s ASN 76 Cb -0.09 -2.54 0.22 0.00 -1.45 0.00 0.00 41.25 37.40 3mnc s ASN 76 CO 0.04 -1.03 1.23 0.78 -3.72 0.00 0.00 177.10 174.40 3mnc h ASN 77 N 9.56 0.00 0.00 -4.21 4.21 -1.93 -3.48 115.58 119.73 3mnc h ASN 77 Ca -0.31 -0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.04 3mnc h ASN 77 Cb 1.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 3mnc h ASN 77 CO 0.99 0.08 0.00 0.61 -1.29 0.00 0.00 177.43 177.82 3mnc n GLY 78 N 1.29 0.49 0.00 2.83 0.00 -1.26 -4.86 105.19 103.68 3mnc n GLY 78 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3mnc n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mnc n THR 79 N -2.95 0.00 -2.44 2.61 -2.24 -1.26 -5.09 114.28 102.91 3mnc n THR 79 Ca 0.00 -0.20 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 3mnc n THR 79 Cb 0.02 1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 3mnc n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mnc s GLU 80 N -0.22 4.09 -0.05 -0.78 8.01 -1.20 -4.43 118.70 124.12 3mnc s GLU 80 Ca 0.00 1.64 0.05 0.00 0.01 0.00 0.00 54.97 56.66 3mnc s GLU 80 Cb 0.00 -2.57 -0.01 0.00 -4.31 0.00 0.00 34.13 27.25 3mnc s GLU 80 CO 0.00 -0.24 -0.19 -0.65 0.01 0.00 0.00 175.26 174.19 3mnc s GLN 81 N -2.45 1.95 -0.14 1.61 -0.21 -0.39 -4.99 119.66 115.04 3mnc s GLN 81 Ca 0.58 -0.68 -0.02 0.00 0.02 0.00 0.00 55.36 55.26 3mnc s GLN 81 Cb -0.25 -1.69 -0.02 0.00 1.00 0.00 0.00 33.01 32.05 3mnc s GLN 81 CO 0.32 0.28 -0.08 0.71 -2.12 0.00 0.00 175.29 174.40 3mnc s TYR 82 N -0.02 2.93 -0.09 0.91 1.51 -1.26 -1.53 117.35 119.80 3mnc s TYR 82 Ca -0.03 -0.44 -0.06 0.00 -1.01 0.00 0.00 57.07 55.53 3mnc s TYR 82 Cb -0.12 -1.90 0.03 0.00 -0.11 0.00 0.00 41.96 39.86 3mnc s TYR 82 CO 0.02 -0.10 0.21 0.54 -1.11 0.00 0.00 175.55 175.11 3mnc s VAL 83 N 0.33 -0.02 0.60 0.71 0.11 -0.35 -5.00 120.40 116.77 3mnc s VAL 83 Ca -0.07 0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 58.90 3mnc s VAL 83 Cb -0.15 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 3mnc s VAL 83 CO 0.04 0.04 1.10 -0.83 -3.33 0.00 0.00 175.10 172.12 3mnc s GLY 84 N 0.75 2.34 -0.26 6.54 0.00 -1.26 -0.68 107.32 114.74 3mnc s GLY 84 Ca -0.05 0.62 -0.22 0.00 0.00 0.00 0.00 44.72 45.07 3mnc s GLY 84 CO -0.04 0.97 0.70 0.14 0.00 0.00 0.00 173.10 174.86 3mnc s VAL 85 N -2.14 4.92 -0.08 1.40 1.01 -1.11 -1.03 120.40 123.37 3mnc s VAL 85 Ca 0.68 1.23 0.06 0.00 0.00 0.00 0.00 61.98 63.95 3mnc s VAL 85 Cb -0.21 -4.01 -0.24 0.00 0.00 0.00 0.00 36.38 31.92 3mnc s VAL 85 CO 0.34 -0.04 0.52 1.67 0.00 0.00 0.00 175.10 177.59 3mnc n GLN 86 N 5.86 0.68 -3.75 2.72 7.27 0.51 -4.87 117.38 125.81 3mnc n GLN 86 Ca 0.01 0.27 -0.13 0.00 0.07 0.00 0.00 57.00 57.23 3mnc n GLN 86 Cb 0.48 -1.75 -0.11 0.00 2.41 0.00 0.00 30.24 31.28 3mnc n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3mnc s LYS 87 N -2.58 0.42 -0.16 3.69 2.20 -1.07 -4.99 119.74 117.25 3mnc s LYS 87 Ca -0.12 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.01 3mnc s LYS 87 Cb 0.07 0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 3mnc s LYS 87 CO 0.80 -0.05 -0.18 0.42 -0.36 0.00 0.00 175.35 175.98 3mnc s ILE 88 N 0.24 2.41 -0.33 5.43 1.01 -1.26 -0.79 121.20 127.92 3mnc s ILE 88 Ca -0.00 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3mnc s ILE 88 Cb -0.03 -2.01 0.09 0.00 0.01 0.00 0.00 42.46 40.53 3mnc s ILE 88 CO 0.00 0.52 0.03 -0.69 0.00 0.00 0.00 174.94 174.80 3mnc s VAL 89 N 0.94 2.35 0.31 2.92 1.01 0.44 -5.00 120.40 123.37 3mnc s VAL 89 Ca -0.03 -2.15 -0.16 0.00 0.00 0.00 0.00 61.98 59.64 3mnc s VAL 89 Cb -0.15 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 3mnc s VAL 89 CO -0.03 -0.47 0.74 -0.69 0.00 0.00 0.00 175.10 174.65 3mnc s VAL 90 N 0.97 4.64 0.23 2.92 1.01 -1.26 -0.90 120.40 128.01 3mnc s VAL 90 Ca 0.06 1.05 -0.32 0.00 0.00 0.00 0.00 61.98 62.78 3mnc s VAL 90 Cb -0.20 -3.67 -0.13 0.00 0.00 0.00 0.00 36.38 32.39 3mnc s VAL 90 CO -0.07 -0.10 1.50 1.57 0.00 0.00 0.00 175.10 178.00 3mnc n HIS 91 N -0.13 2.37 0.31 5.22 -0.00 -0.75 -4.83 115.22 117.40 3mnc n HIS 91 Ca 0.02 0.34 0.13 0.00 0.46 0.00 0.00 57.72 58.67 3mnc n HIS 91 Cb 0.53 -2.52 0.61 0.00 -0.12 0.00 0.00 29.99 28.49 3mnc n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3mnc h PRO 92 N 4.87 0.00 -0.22 1.57 0.13 -1.93 -1.74 132.00 134.68 3mnc h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3mnc h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3mnc h PRO 92 CO 0.81 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.24 3mnc n TYR 93 N -2.45 0.26 -1.90 1.56 4.01 -1.26 -4.95 117.16 112.43 3mnc n TYR 93 Ca 0.00 -0.13 -0.41 0.00 -0.16 0.00 0.00 57.90 57.20 3mnc n TYR 93 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 3mnc n TYR 93 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3mnc s TRP 94 N -1.74 2.81 -0.16 -0.72 -0.11 -0.66 -4.86 118.94 113.51 3mnc s TRP 94 Ca 0.34 1.06 -0.02 0.00 1.22 0.00 0.00 56.10 58.70 3mnc s TRP 94 Cb 0.21 -3.93 0.05 0.00 -1.50 0.00 0.00 33.47 28.30 3mnc s TRP 94 CO 0.31 -2.91 0.02 1.21 -4.62 0.00 0.00 176.95 170.97 3mnc s ASN 95 N 0.10 2.54 0.55 5.86 3.84 -1.26 -5.01 114.94 121.57 3mnc s ASN 95 Ca 0.57 -0.61 0.26 0.00 0.21 0.00 0.00 52.86 53.29 3mnc s ASN 95 Cb -0.45 -0.56 1.47 0.00 -0.55 0.00 0.00 41.25 41.16 3mnc s ASN 95 CO 0.52 -0.27 2.01 0.00 -2.79 0.00 0.00 177.10 176.57 3mnc h THR 96 N 6.45 0.62 0.00 -5.21 1.03 -1.98 0.62 112.91 114.45 3mnc h THR 96 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 3mnc h THR 96 Cb 1.12 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 3mnc h THR 96 CO 0.32 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.30 3mnc n ASP 97 N -4.14 0.00 -2.78 0.00 8.00 -1.26 -4.42 116.55 111.95 3mnc n ASP 97 Ca 0.07 -0.79 -0.10 0.00 0.71 0.00 0.00 54.79 54.68 3mnc n ASP 97 Cb 0.53 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.68 3mnc n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3mnc n ASP 98 N -0.99 -2.47 -2.03 -2.24 -0.08 0.21 -5.07 116.55 103.88 3mnc n ASP 98 Ca 0.18 -3.36 -0.00 0.00 -1.51 0.00 0.00 54.79 50.09 3mnc n ASP 98 Cb 0.08 1.64 -0.00 0.00 2.34 0.00 0.00 41.12 45.18 3mnc n ASP 98 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 3mnc n VAL 99 N 1.27 0.29 0.00 5.18 3.14 -1.25 -4.05 118.33 122.91 3mnc n VAL 99 Ca 0.09 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3mnc n VAL 99 Cb 0.64 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 3mnc n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mnc n ALA 99 N 2.13 0.00 0.00 1.55 0.00 -1.26 -4.80 120.51 118.13 3mnc n ALA 99 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3mnc n ALA 99 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3mnc n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mnc n GLY 100 N 0.00 -1.31 2.39 0.00 0.00 -1.26 -5.00 105.19 100.02 3mnc n GLY 100 Ca 0.00 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 3mnc n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mnc n TYR 101 N 0.00 -0.83 -2.70 1.61 4.01 -1.26 -4.65 117.16 113.34 3mnc n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3mnc n TYR 101 Cb 0.00 -3.74 0.00 0.00 -0.31 0.00 0.00 39.34 35.29 3mnc n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3mnc n ASP 102 N -1.68 5.08 -3.66 7.72 4.64 -1.26 -4.29 116.55 123.09 3mnc n ASP 102 Ca -0.23 -2.99 -0.15 0.00 -1.38 0.00 0.00 54.79 50.05 3mnc n ASP 102 Cb 0.67 -1.59 -0.08 0.00 -1.04 0.00 0.00 41.12 39.09 3mnc n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 3mnc s ILE 103 N 1.83 0.01 -0.01 5.18 2.07 -1.26 -3.93 121.20 125.10 3mnc s ILE 103 Ca 0.44 -0.10 -0.16 0.00 -1.41 0.00 0.00 60.65 59.42 3mnc s ILE 103 Cb 0.02 -0.80 0.03 0.00 0.13 0.00 0.00 42.46 41.84 3mnc s ILE 103 CO 0.01 -0.06 0.33 0.00 -1.91 0.00 0.00 174.94 173.32 3mnc s ALA 104 N -0.45 -0.84 -0.05 1.50 0.00 -0.33 -1.82 121.76 119.78 3mnc s ALA 104 Ca -0.06 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.30 3mnc s ALA 104 Cb -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3mnc s ALA 104 CO 0.04 -0.28 -0.18 -0.51 0.00 0.00 0.00 175.76 174.83 3mnc s LEU 105 N -1.40 2.53 -0.19 0.00 1.43 -0.08 -1.17 118.68 119.80 3mnc s LEU 105 Ca -0.13 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3mnc s LEU 105 Cb -0.04 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.68 3mnc s LEU 105 CO 0.04 0.31 -0.14 -0.76 0.23 0.00 0.00 176.35 176.03 3mnc s LEU 106 N -0.55 2.45 -0.13 1.79 1.43 0.42 -0.42 118.68 123.68 3mnc s LEU 106 Ca 0.08 -0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 3mnc s LEU 106 Cb -0.11 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 3mnc s LEU 106 CO 0.01 0.01 0.65 -0.60 0.23 0.00 0.00 176.35 176.65 3mnc s ARG 107 N 1.28 4.34 0.37 1.70 3.52 0.03 -1.04 118.95 129.15 3mnc s ARG 107 Ca 0.04 0.73 -0.13 0.00 -0.13 0.00 0.00 55.73 56.23 3mnc s ARG 107 Cb -0.14 -3.50 -0.08 0.00 -1.56 0.00 0.00 34.95 29.68 3mnc s ARG 107 CO -0.08 -0.05 0.77 -0.51 -0.81 0.00 0.00 175.30 174.62 3mnc s LEU 108 N 1.24 3.94 0.36 -0.88 1.43 0.15 -0.36 118.68 124.56 3mnc s LEU 108 Ca 0.33 1.24 0.15 0.00 -1.03 0.00 0.00 54.13 54.82 3mnc s LEU 108 Cb -0.17 -4.08 0.70 0.00 0.03 0.00 0.00 46.19 42.67 3mnc s LEU 108 CO 0.14 -0.31 1.78 0.00 0.23 0.00 0.00 176.35 178.18 3mnc h ALA 109 N 1.75 1.18 -2.43 4.21 0.00 -1.41 -3.43 119.26 119.13 3mnc h ALA 109 Ca -0.48 -0.37 -0.35 0.00 0.00 0.00 0.00 54.91 53.72 3mnc h ALA 109 Cb 1.18 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 3mnc h ALA 109 CO 0.64 0.51 -0.73 -0.65 0.00 0.00 0.00 179.25 179.02 3mnc s GLN 110 N -3.91 1.04 -0.08 0.00 1.11 -1.26 -5.04 119.66 111.50 3mnc s GLN 110 Ca -0.02 -1.37 -0.26 0.00 0.01 0.00 0.00 55.36 53.72 3mnc s GLN 110 Cb 0.13 -0.69 -0.03 0.00 -1.01 0.00 0.00 33.01 31.41 3mnc s GLN 110 CO 0.71 0.10 0.81 -1.12 0.01 0.00 0.00 175.29 175.80 3mnc s SER 111 N -2.93 7.07 0.65 5.90 0.01 -1.26 -4.64 113.70 118.49 3mnc s SER 111 Ca 0.14 1.30 -0.11 0.00 1.31 0.00 0.00 55.95 58.58 3mnc s SER 111 Cb 0.00 -2.46 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 3mnc s SER 111 CO 0.01 -0.25 1.04 0.68 0.41 0.00 0.00 173.24 175.14 3mnc s VAL 112 N 1.30 4.39 -0.13 3.43 -7.23 -0.31 -4.98 120.40 116.87 3mnc s VAL 112 Ca 0.41 0.80 -0.15 0.00 -1.81 0.00 0.00 61.98 61.24 3mnc s VAL 112 Cb -0.18 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.06 3mnc s VAL 112 CO 0.19 -0.99 0.35 -0.89 -0.31 0.00 0.00 175.10 173.44 3mnc s THR 113 N -3.08 5.25 0.20 5.32 2.01 -1.26 -4.87 115.64 119.22 3mnc s THR 113 Ca 0.57 0.68 -0.18 0.00 0.31 0.00 0.00 61.69 63.06 3mnc s THR 113 Cb -0.12 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 68.63 3mnc s THR 113 CO 0.53 0.40 0.68 -0.76 -0.69 0.00 0.00 174.62 174.79 3mnc s LEU 114 N 0.27 4.34 0.00 4.42 1.43 -1.26 -4.81 118.68 123.07 3mnc s LEU 114 Ca 0.20 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 3mnc s LEU 114 Cb -0.14 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.57 3mnc s LEU 114 CO 0.07 0.05 0.00 -0.46 0.23 0.00 0.00 176.35 176.24 3mnc n ASN 115 N 0.75 0.00 0.14 2.29 0.23 -0.18 -4.96 115.26 113.53 3mnc n ASN 115 Ca -0.03 -0.98 0.11 0.00 -0.53 0.00 0.00 54.58 53.15 3mnc n ASN 115 Cb 0.51 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.72 3mnc n ASN 115 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3mnc n SER 116 N -0.75 0.62 -0.24 0.53 3.41 -1.26 -2.04 113.62 113.89 3mnc n SER 116 Ca 0.00 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.40 3mnc n SER 116 Cb 0.00 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.09 3mnc n SER 116 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mnc n TYR 117 N -2.22 0.00 -3.56 7.33 4.01 -1.26 -4.71 117.16 116.74 3mnc n TYR 117 Ca 0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.50 3mnc n TYR 117 Cb 0.17 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.04 3mnc n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mnc s VAL 118 N -2.57 -0.13 0.06 -0.72 1.01 -0.87 -3.74 120.40 113.44 3mnc s VAL 118 Ca 0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3mnc s VAL 118 Cb 0.16 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3mnc s VAL 118 CO 0.66 -0.42 0.06 -1.10 0.00 0.00 0.00 175.10 174.30 3mnc s GLN 119 N 2.17 0.67 0.32 2.72 -1.52 -0.82 -1.01 119.66 122.19 3mnc s GLN 119 Ca 0.05 -1.05 -0.28 0.00 -1.95 0.00 0.00 55.36 52.14 3mnc s GLN 119 Cb -0.16 0.25 -0.09 0.00 -0.22 0.00 0.00 33.01 32.79 3mnc s GLN 119 CO -0.19 -0.16 1.11 -0.51 -0.25 0.00 0.00 175.29 175.28 3mnc s LEU 120 N -2.73 4.41 0.29 2.90 1.43 -1.26 -3.41 118.68 120.31 3mnc s LEU 120 Ca 0.04 2.25 -0.29 0.00 -1.03 0.00 0.00 54.13 55.10 3mnc s LEU 120 Cb 0.05 -3.80 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 3mnc s LEU 120 CO -0.09 -0.31 1.06 -0.83 0.23 0.00 0.00 176.35 176.42 3mnc s GLY 121 N -1.05 3.02 -0.30 -3.19 0.00 0.90 -4.81 107.32 101.89 3mnc s GLY 121 Ca 0.49 0.82 -0.23 0.00 0.00 0.00 0.00 44.72 45.80 3mnc s GLY 121 CO 0.38 1.38 0.78 0.14 0.00 0.00 0.00 173.10 175.79 3mnc s VAL 122 N -1.26 4.80 0.21 1.40 1.01 -1.26 -4.80 120.40 120.51 3mnc s VAL 122 Ca 0.46 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 3mnc s VAL 122 Cb -0.29 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 3mnc s VAL 122 CO 0.37 -0.23 0.43 -0.76 0.00 0.00 0.00 175.10 174.91 3mnc s LEU 123 N 2.93 4.19 0.78 3.92 1.43 -1.26 -0.45 118.68 130.22 3mnc s LEU 123 Ca 0.32 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 3mnc s LEU 123 Cb -0.14 -3.28 0.06 0.00 0.03 0.00 0.00 46.19 42.86 3mnc s LEU 123 CO 0.12 -0.07 1.08 -2.16 0.23 0.00 0.00 176.35 175.56 3mnc s PRO 124 N -3.27 2.18 0.42 1.29 0.05 -1.26 -4.88 135.00 129.52 3mnc s PRO 124 Ca 0.40 0.96 -0.26 0.00 0.05 0.00 0.00 61.00 62.15 3mnc s PRO 124 Cb -0.11 -1.90 -0.09 0.00 0.05 0.00 0.00 34.50 32.45 3mnc s PRO 124 CO 0.28 -1.63 1.35 1.03 0.05 0.00 0.00 177.00 178.08 3mnc s ARG 125 N -4.99 3.89 0.20 4.56 0.52 -1.26 -4.81 118.95 117.07 3mnc s ARG 125 Ca 0.61 2.25 -0.32 0.00 -0.52 0.00 0.00 55.73 57.75 3mnc s ARG 125 Cb -0.16 -2.74 -0.15 0.00 0.52 0.00 0.00 34.95 32.42 3mnc s ARG 125 CO 0.56 -0.59 1.17 0.00 0.02 0.00 0.00 175.30 176.46 3mnc n ALA 126 N 0.05 -0.40 -0.23 2.13 0.00 -1.26 -2.18 120.51 118.62 3mnc n ALA 126 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3mnc n ALA 126 Cb 0.43 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3mnc n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mnc n GLY 127 N 1.91 1.69 3.73 0.00 0.00 -0.61 -5.02 105.19 106.89 3mnc n GLY 127 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3mnc n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mnc s THR 128 N -2.93 2.80 -0.11 2.61 2.01 -0.93 -5.00 115.64 114.09 3mnc s THR 128 Ca 0.00 0.60 0.02 0.00 0.31 0.00 0.00 61.69 62.62 3mnc s THR 128 Cb 0.00 -3.38 0.01 0.00 0.01 0.00 0.00 72.50 69.14 3mnc s THR 128 CO 0.00 0.06 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.18 3mnc s ILE 129 N 0.79 1.68 0.20 1.82 -1.09 -1.26 -4.77 121.20 118.56 3mnc s ILE 129 Ca 0.65 -0.77 -0.19 0.00 -2.23 0.00 0.00 60.65 58.12 3mnc s ILE 129 Cb -0.41 -1.51 -0.08 0.00 -1.58 0.00 0.00 42.46 38.88 3mnc s ILE 129 CO 0.34 0.48 0.68 -0.76 -1.23 0.00 0.00 174.94 174.45 3mnc s LEU 130 N 0.80 4.36 0.72 2.97 1.43 -1.26 -5.03 118.68 122.66 3mnc s LEU 130 Ca -0.10 1.35 -0.16 0.00 -1.03 0.00 0.00 54.13 54.19 3mnc s LEU 130 Cb -0.16 -3.48 0.02 0.00 0.03 0.00 0.00 46.19 42.60 3mnc s LEU 130 CO 0.01 0.06 1.11 0.00 0.23 0.00 0.00 176.35 177.76 3mnc n ALA 131 N 0.81 0.20 -1.56 4.21 0.00 -1.26 -4.87 120.51 118.05 3mnc n ALA 131 Ca -0.03 -0.16 -0.44 0.00 0.00 0.00 0.00 53.44 52.80 3mnc n ALA 131 Cb 0.51 -2.20 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 3mnc n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mnc n ASN 132 N -2.05 0.91 -1.31 0.00 5.15 -1.26 -2.44 115.26 114.25 3mnc n ASN 132 Ca 0.14 1.14 -0.12 0.00 -0.60 0.00 0.00 54.58 55.14 3mnc n ASN 132 Cb 0.49 -1.25 -0.02 0.00 -0.53 0.00 0.00 39.78 38.47 3mnc n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3mnc n ASN 133 N 1.24 -4.03 -4.78 1.20 5.15 0.20 -4.94 115.26 109.30 3mnc n ASN 133 Ca 0.10 0.05 -0.37 0.00 -0.60 0.00 0.00 54.58 53.77 3mnc n ASN 133 Cb 0.32 -3.11 -0.03 0.00 -0.53 0.00 0.00 39.78 36.43 3mnc n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3mnc s SER 134 N -2.53 6.61 -0.06 1.20 0.01 -1.02 -4.57 113.70 113.34 3mnc s SER 134 Ca 0.00 2.15 -0.30 0.00 1.31 0.00 0.00 55.95 59.11 3mnc s SER 134 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 3mnc s SER 134 CO 0.00 -0.60 1.09 -2.16 0.41 0.00 0.00 173.24 171.98 3mnc s PRO 135 N -2.48 4.41 0.06 12.44 0.04 -1.26 -1.26 135.00 146.96 3mnc s PRO 135 Ca 0.59 1.53 -0.07 0.00 0.04 0.00 0.00 61.00 63.09 3mnc s PRO 135 Cb -0.25 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.76 3mnc s PRO 135 CO 0.31 -0.33 0.13 0.00 0.04 0.00 0.00 177.00 177.16 3mnc s TYR 137 N -3.40 2.40 0.14 0.00 2.02 0.28 -0.86 117.35 117.93 3mnc s TYR 137 Ca 0.02 -0.77 -0.15 0.00 -0.37 0.00 0.00 57.07 55.79 3mnc s TYR 137 Cb 0.03 -1.58 -0.07 0.00 -0.40 0.00 0.00 41.96 39.94 3mnc s TYR 137 CO -0.08 -0.25 0.56 -1.50 -1.57 0.00 0.00 175.55 172.70 3mnc s ILE 138 N -0.04 4.83 0.08 2.71 2.07 -0.45 -0.73 121.20 129.66 3mnc s ILE 138 Ca -0.07 0.91 0.06 0.00 -1.41 0.00 0.00 60.65 60.14 3mnc s ILE 138 Cb -0.14 -3.76 -0.03 0.00 0.13 0.00 0.00 42.46 38.65 3mnc s ILE 138 CO 0.05 0.29 -0.16 0.42 -1.91 0.00 0.00 174.94 173.63 3mnc s THR 139 N -1.42 1.27 0.00 4.00 -4.23 -1.20 -1.36 115.64 112.71 3mnc s THR 139 Ca 0.37 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 3mnc s THR 139 Cb -0.16 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.45 3mnc s THR 139 CO 0.19 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3mnc n GLY 140 N 1.15 0.25 1.26 3.99 0.00 -0.60 -4.48 105.19 106.74 3mnc n GLY 140 Ca -0.20 -1.12 0.09 0.00 0.00 0.00 0.00 46.02 44.79 3mnc n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mnc n TRP 141 N -0.67 1.14 -0.75 1.61 8.01 -1.26 -1.53 117.44 123.99 3mnc n TRP 141 Ca 0.00 -0.62 -0.30 0.00 -1.31 0.00 0.00 57.50 55.27 3mnc n TRP 141 Cb 0.00 -0.19 0.27 0.00 -2.01 0.00 0.00 31.31 29.38 3mnc n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3mnc s GLY 142 N -1.10 1.51 0.37 6.99 0.00 -1.25 -1.49 107.32 112.35 3mnc s GLY 142 Ca 0.44 -0.92 -0.26 0.00 0.00 0.00 0.00 44.72 43.98 3mnc s GLY 142 CO 0.21 0.04 1.11 1.04 0.00 0.00 0.00 173.10 175.50 3mnc n LEU 143 N -5.20 2.81 -0.28 0.66 4.77 0.28 -2.50 117.00 117.54 3mnc n LEU 143 Ca 0.13 1.12 0.12 0.00 -0.03 0.00 0.00 56.01 57.36 3mnc n LEU 143 Cb 0.60 -1.39 0.27 0.00 -2.33 0.00 0.00 43.42 40.57 3mnc n LEU 143 CO 0.43 -1.12 0.54 0.35 -1.33 0.00 0.00 177.39 176.26 3mnc n THR 144 N -0.09 0.00 -3.76 -5.08 -2.24 -0.81 -1.15 114.28 101.15 3mnc n THR 144 Ca 0.08 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 3mnc n THR 144 Cb 0.37 0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 69.12 3mnc n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mnc s ARG 145 N -2.54 0.77 0.12 -0.78 0.52 -1.26 -4.29 118.95 111.49 3mnc s ARG 145 Ca 0.22 -0.42 -0.35 0.00 -0.52 0.00 0.00 55.73 54.65 3mnc s ARG 145 Cb 0.19 0.33 -0.15 0.00 0.52 0.00 0.00 34.95 35.84 3mnc s ARG 145 CO 0.55 -0.24 1.46 2.41 0.02 0.00 0.00 175.30 179.50 3mnc n THR 147 N 0.77 0.00 -2.20 0.02 -1.04 -1.26 -0.82 114.28 109.76 3mnc n THR 147 Ca -0.19 -0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.61 3mnc n THR 147 Cb 0.58 -1.16 -0.03 0.00 -1.82 0.00 0.00 70.33 67.90 3mnc n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mnc n ASN 148 N 2.98 -5.66 -0.21 8.00 3.02 -1.26 -4.97 115.26 117.17 3mnc n ASN 148 Ca 0.18 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 3mnc n ASN 148 Cb 0.24 -4.78 0.00 0.00 -0.61 0.00 0.00 39.78 34.62 3mnc n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mnc n GLY 149 N -0.84 1.79 3.30 7.41 0.00 -0.00 -5.13 105.19 111.71 3mnc n GLY 149 Ca -0.23 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 43.83 3mnc n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mnc s GLN 150 N 3.89 1.21 0.57 1.61 -2.07 -1.26 -4.92 119.66 118.69 3mnc s GLN 150 Ca 0.00 -1.50 -0.20 0.00 -1.82 0.00 0.00 55.36 51.84 3mnc s GLN 150 Cb 0.00 -0.94 -0.04 0.00 -1.09 0.00 0.00 33.01 30.94 3mnc s GLN 150 CO 0.00 0.15 1.22 1.28 -1.32 0.00 0.00 175.29 176.62 3mnc n LEU 151 N -0.20 4.95 -4.76 2.60 4.77 -1.26 -1.93 117.00 121.17 3mnc n LEU 151 Ca -0.10 0.90 -0.35 0.00 -0.03 0.00 0.00 56.01 56.44 3mnc n LEU 151 Cb 0.60 -1.51 0.03 0.00 -2.33 0.00 0.00 43.42 40.21 3mnc n LEU 151 CO 0.33 -1.07 0.81 0.00 -1.33 0.00 0.00 177.39 176.12 3mnc s ALA 152 N -1.37 2.57 -0.01 -1.18 0.00 -0.55 -4.83 121.76 116.39 3mnc s ALA 152 Ca 0.75 0.89 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 3mnc s ALA 152 Cb -0.42 -3.41 -0.33 0.00 0.00 0.00 0.00 23.12 18.96 3mnc s ALA 152 CO 0.47 -1.06 0.87 1.96 0.00 0.00 0.00 175.76 178.00 3mnc h GLN 153 N 0.86 0.44 -6.35 0.00 4.20 -1.94 -3.45 115.11 108.87 3mnc h GLN 153 Ca -0.50 -0.76 -0.66 0.00 0.06 0.00 0.00 58.65 56.80 3mnc h GLN 153 Cb 1.28 0.28 -0.13 0.00 0.30 0.00 0.00 27.48 29.21 3mnc h GLN 153 CO 0.55 1.36 -0.68 0.95 -0.67 0.00 0.00 178.83 180.35 3mnc s THR 154 N -2.55 3.87 0.17 -0.54 -4.23 -1.26 -0.53 115.64 110.57 3mnc s THR 154 Ca -0.12 -0.97 -0.33 0.00 -1.18 0.00 0.00 61.69 59.09 3mnc s THR 154 Cb 0.04 -2.81 -0.14 0.00 1.34 0.00 0.00 72.50 70.94 3mnc s THR 154 CO 0.89 0.18 1.59 -0.11 -0.54 0.00 0.00 174.62 176.64 3mnc n LEU 155 N 0.81 3.26 -4.74 4.79 7.94 -0.54 -4.84 117.00 123.68 3mnc n LEU 155 Ca -0.12 1.08 -0.26 0.00 -1.11 0.00 0.00 56.01 55.60 3mnc n LEU 155 Cb 0.52 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 42.95 3mnc n LEU 155 CO 0.36 -0.22 -0.26 -1.10 -1.11 0.00 0.00 177.39 175.06 3mnc s GLN 156 N 0.87 2.70 0.05 1.96 -1.52 -0.58 -1.01 119.66 122.12 3mnc s GLN 156 Ca 0.77 -0.97 0.04 0.00 -1.95 0.00 0.00 55.36 53.26 3mnc s GLN 156 Cb -0.65 -2.53 -0.02 0.00 -0.22 0.00 0.00 33.01 29.59 3mnc s GLN 156 CO 0.38 0.47 -0.13 1.14 -0.25 0.00 0.00 175.29 176.90 3mnc s GLN 157 N -3.04 0.81 -0.00 2.91 -2.07 0.20 -1.56 119.66 116.90 3mnc s GLN 157 Ca 0.30 -0.81 -0.00 0.00 -1.82 0.00 0.00 55.36 53.02 3mnc s GLN 157 Cb -0.10 -0.79 0.00 0.00 -1.09 0.00 0.00 33.01 31.04 3mnc s GLN 157 CO 0.21 0.18 0.01 0.00 -1.32 0.00 0.00 175.29 174.38 3mnc s ALA 158 N -1.06 -0.02 -0.31 2.60 0.00 -0.46 -0.68 121.76 121.82 3mnc s ALA 158 Ca -0.01 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.69 3mnc s ALA 158 Cb -0.09 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3mnc s ALA 158 CO 0.01 -0.00 1.04 -0.47 0.00 0.00 0.00 175.76 176.34 3mnc s TYR 159 N 0.01 3.17 -0.29 0.00 5.04 -1.26 -1.35 117.35 122.66 3mnc s TYR 159 Ca -0.00 1.16 -0.01 0.00 -2.44 0.00 0.00 57.07 55.78 3mnc s TYR 159 Cb -0.00 -3.61 0.09 0.00 0.35 0.00 0.00 41.96 38.79 3mnc s TYR 159 CO 0.00 -0.73 0.08 -0.51 -1.34 0.00 0.00 175.55 173.05 3mnc s LEU 160 N 3.55 2.21 0.48 6.97 1.43 -0.04 -4.96 118.68 128.32 3mnc s LEU 160 Ca 0.44 -1.51 -0.23 0.00 -1.03 0.00 0.00 54.13 51.79 3mnc s LEU 160 Cb -0.13 -0.88 -0.07 0.00 0.03 0.00 0.00 46.19 45.15 3mnc s LEU 160 CO 0.15 -0.39 1.28 -2.84 0.23 0.00 0.00 176.35 174.78 3mnc s PRO 161 N 1.61 3.58 0.65 1.29 0.02 -1.26 -3.70 135.00 137.18 3mnc s PRO 161 Ca 0.07 2.06 -0.16 0.00 0.02 0.00 0.00 61.00 63.00 3mnc s PRO 161 Cb -0.17 -2.44 -0.01 0.00 0.02 0.00 0.00 34.50 31.90 3mnc s PRO 161 CO -0.21 -0.78 1.12 0.95 -0.33 0.00 0.00 177.00 177.75 3mnc s THR 162 N -1.38 3.14 -0.22 0.99 -4.23 -0.39 -0.54 115.64 113.02 3mnc s THR 162 Ca 0.65 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.73 3mnc s THR 162 Cb -0.36 -3.10 0.05 0.00 1.34 0.00 0.00 72.50 70.43 3mnc s THR 162 CO 0.44 -0.30 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.42 3mnc s VAL 163 N -2.21 1.80 0.92 2.29 1.01 -0.13 -0.62 120.40 123.46 3mnc s VAL 163 Ca 0.69 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3mnc s VAL 163 Cb -0.22 -1.89 0.14 0.00 0.00 0.00 0.00 36.38 34.41 3mnc s VAL 163 CO 0.39 0.11 1.10 1.51 0.00 0.00 0.00 175.10 178.21 3mnc s ASP 164 N 1.31 3.16 0.23 3.32 1.47 -1.26 -4.07 116.67 120.82 3mnc s ASP 164 Ca -0.03 1.73 -0.07 0.00 1.18 0.00 0.00 52.55 55.36 3mnc s ASP 164 Cb -0.17 -2.35 0.37 0.00 -0.34 0.00 0.00 42.92 40.42 3mnc s ASP 164 CO -0.08 -2.87 1.74 0.22 0.68 0.00 0.00 175.17 174.86 3mnc h TYR 165 N -1.71 0.47 -0.81 2.11 3.20 -1.94 0.94 116.97 119.23 3mnc h TYR 165 Ca -0.49 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.46 3mnc h TYR 165 Cb 1.28 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.39 3mnc h TYR 165 CO 0.45 0.10 0.53 0.00 -1.64 0.00 0.00 178.16 177.60 3mnc h ALA 166 N 1.48 1.54 0.07 1.82 0.00 -1.97 -0.26 119.26 121.94 3mnc h ALA 166 Ca 0.36 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 3mnc h ALA 166 Cb 0.49 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3mnc h ALA 166 CO -0.35 0.36 -0.44 0.82 0.00 0.00 0.00 179.25 179.65 3mnc h ILE 167 N 0.96 1.63 0.00 0.00 2.04 -1.75 -3.35 117.51 117.04 3mnc h ILE 167 Ca 0.33 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.76 3mnc h ILE 167 Cb 0.10 3.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3mnc h ILE 167 CO -0.10 0.65 0.00 0.00 0.00 0.00 0.00 178.15 178.70 3mnc n SER 169 N -1.54 6.81 0.00 0.00 3.41 -0.13 -1.59 113.62 120.58 3mnc n SER 169 Ca 0.06 -3.46 0.00 0.00 -0.26 0.00 0.00 58.87 55.21 3mnc n SER 169 Cb 0.30 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 3mnc n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mnc n SER 170 N 1.11 0.00 0.00 4.04 3.41 -1.26 -3.53 113.62 117.39 3mnc n SER 170 Ca 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 3mnc n SER 170 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3mnc n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mnc n TYR 171 N 0.00 0.00 1.02 7.33 4.02 -1.26 -4.81 117.16 123.46 3mnc n TYR 171 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 3mnc n TYR 171 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3mnc n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3mnc n TRP 172 N 0.00 0.00 -3.48 -0.72 7.02 -0.62 -4.86 117.44 114.77 3mnc n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3mnc n TRP 172 Cb 0.00 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 3mnc n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mnc n GLY 173 N 1.45 1.77 0.09 6.99 0.00 -1.23 -1.49 105.19 112.77 3mnc n GLY 173 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3mnc n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mnc n SER 174 N -1.51 0.18 -0.05 1.61 3.41 -1.26 -3.15 113.62 112.85 3mnc n SER 174 Ca 0.00 -1.95 -0.11 0.00 -0.26 0.00 0.00 58.87 56.55 3mnc n SER 174 Cb 0.00 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 3mnc n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mnc h THR 175 N 0.00 1.17 -4.13 6.66 2.02 -1.63 -3.44 112.91 113.56 3mnc h THR 175 Ca 0.00 -0.52 -0.48 0.00 0.77 0.00 0.00 66.41 66.18 3mnc h THR 175 Cb 0.09 1.18 0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3mnc h THR 175 CO 0.00 0.16 0.38 0.54 0.37 0.00 0.00 175.52 176.97 3mnc s VAL 176 N -5.48 3.95 0.26 3.16 0.11 -1.19 -4.75 120.40 116.47 3mnc s VAL 176 Ca -0.14 1.07 0.06 0.00 -2.93 0.00 0.00 61.98 60.05 3mnc s VAL 176 Cb 0.07 -3.48 -0.06 0.00 -1.53 0.00 0.00 36.38 31.39 3mnc s VAL 176 CO 0.71 -0.40 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.47 3mnc s LYS 177 N -3.64 1.49 0.33 1.54 -0.14 -1.26 -4.96 119.74 113.11 3mnc s LYS 177 Ca 0.64 -1.75 0.26 0.00 -1.36 0.00 0.00 55.97 53.77 3mnc s LYS 177 Cb -0.15 -1.07 1.14 0.00 -1.68 0.00 0.00 37.83 36.08 3mnc s LYS 177 CO 0.27 0.03 1.78 -0.97 -0.76 0.00 0.00 175.35 175.70 3mnc h ASN 178 N 2.34 0.00 -0.09 2.83 -1.24 -1.99 -1.76 115.58 115.67 3mnc h ASN 178 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 3mnc h ASN 178 Cb 1.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.28 3mnc h ASN 178 CO 0.66 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 175.26 3mnc n SER 179 N -2.42 0.71 -4.36 1.15 3.41 -1.26 -4.83 113.62 106.02 3mnc n SER 179 Ca 0.01 -2.02 -0.21 0.00 -0.26 0.00 0.00 58.87 56.39 3mnc n SER 179 Cb 0.20 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 3mnc n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3mnc s MET 180 N -1.76 1.37 -0.07 4.33 -1.94 -0.66 -0.99 119.30 119.58 3mnc s MET 180 Ca 0.07 -1.56 0.03 0.00 -1.71 0.00 0.00 55.69 52.52 3mnc s MET 180 Cb 0.04 -1.30 -0.02 0.00 2.01 0.00 0.00 34.83 35.55 3mnc s MET 180 CO 0.04 0.24 -0.17 0.08 -0.01 0.00 0.00 175.02 175.20 3mnc s VAL 181 N -2.58 2.79 -0.04 -6.03 1.01 0.23 -4.69 120.40 111.09 3mnc s VAL 181 Ca 0.21 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3mnc s VAL 181 Cb -0.03 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3mnc s VAL 181 CO 0.08 0.57 0.03 0.00 0.00 0.00 0.00 175.10 175.78 3mnc s ALA 183 N -1.04 -0.79 0.00 0.00 0.00 -0.51 -0.96 121.76 118.46 3mnc s ALA 183 Ca 0.18 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3mnc s ALA 183 Cb -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3mnc s ALA 183 CO 0.08 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3mnc n GLY 184 N 2.53 0.84 1.92 0.00 0.00 0.29 -1.37 105.19 109.41 3mnc n GLY 184 Ca -0.15 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3mnc n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mnc n GLY 185 N 0.00 0.42 0.03 -0.02 0.00 -1.26 -4.67 105.19 99.69 3mnc n GLY 185 Ca 0.00 -0.90 0.14 0.00 0.00 0.00 0.00 46.02 45.26 3mnc n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mnc n ASP 186 N 1.64 0.15 0.00 1.61 3.85 -1.26 -1.46 116.55 121.08 3mnc n ASP 186 Ca 0.00 -0.15 0.00 0.00 -0.71 0.00 0.00 54.79 53.93 3mnc n ASP 186 Cb 0.00 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 39.53 3mnc n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mnc n GLY 187 N 1.33 1.31 0.56 6.12 0.00 -1.26 -4.77 105.19 108.48 3mnc n GLY 187 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 3mnc n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mnc n VAL 188 N -2.00 0.29 -4.82 1.61 0.31 -1.26 -4.64 118.33 107.82 3mnc n VAL 188 Ca 0.00 -0.09 -0.33 0.00 -0.01 0.00 0.00 64.34 63.92 3mnc n VAL 188 Cb 0.00 -1.27 -0.13 0.00 -0.91 0.00 0.00 33.84 31.53 3mnc n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3mnc s ARG 188 N -2.10 2.51 -0.24 5.55 0.52 -1.26 -3.82 118.95 120.12 3mnc s ARG 188 Ca -0.07 -0.69 -0.28 0.00 -0.52 0.00 0.00 55.73 54.16 3mnc s ARG 188 Cb 0.02 -2.40 0.16 0.00 0.52 0.00 0.00 34.95 33.25 3mnc s ARG 188 CO 0.10 0.62 1.21 0.45 0.02 0.00 0.00 175.30 177.71 3mnc s SER 189 N -0.82 -0.20 1.09 0.23 0.15 -0.79 -4.38 113.70 108.98 3mnc s SER 189 Ca 0.12 0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.92 3mnc s SER 189 Cb -0.11 0.23 0.24 0.00 -1.71 0.00 0.00 66.02 64.67 3mnc s SER 189 CO 0.01 -0.15 1.05 0.61 1.20 0.00 0.00 173.24 175.96 3mnc n GLY 190 N 0.93 -1.45 3.64 9.45 0.00 -1.26 -0.64 105.19 115.86 3mnc n GLY 190 Ca -0.06 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 3mnc n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mnc n GLN 192 N -0.53 2.54 0.00 0.00 3.00 -1.26 -1.35 117.38 119.78 3mnc n GLN 192 Ca -0.03 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 3mnc n GLN 192 Cb 0.61 -2.60 0.00 0.00 0.00 0.00 0.00 30.24 28.25 3mnc n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mnc n GLY 193 N 0.94 2.00 0.11 1.08 0.00 -1.26 -0.55 105.19 107.51 3mnc n GLY 193 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3mnc n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mnc h ASP 194 N 0.00 0.00 -2.24 1.61 3.32 -1.49 -3.31 116.42 114.31 3mnc h ASP 194 Ca 0.00 -0.05 -0.61 0.00 0.02 0.00 0.00 57.03 56.38 3mnc h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 3mnc h ASP 194 CO 0.00 0.03 -0.12 -1.20 -1.72 0.00 0.00 179.24 176.23 3mnc n SER 195 N -2.59 0.29 0.00 6.45 7.64 -1.26 -1.68 113.62 122.47 3mnc n SER 195 Ca 0.01 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.98 3mnc n SER 195 Cb 0.52 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 3mnc n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mnc n GLY 196 N 1.50 3.15 3.94 0.23 0.00 0.16 -0.49 105.19 113.68 3mnc n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3mnc n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mnc s GLY 197 N -1.76 1.79 0.35 -0.02 0.00 -0.68 -3.28 107.32 103.73 3mnc s GLY 197 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.29 3mnc s GLY 197 CO 0.00 -0.52 0.74 2.56 0.00 0.00 0.00 173.10 175.88 3mnc s PRO 198 N -5.84 3.92 -0.27 2.90 0.04 -1.26 -0.81 135.00 133.68 3mnc s PRO 198 Ca 0.74 0.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.32 3mnc s PRO 198 Cb -0.03 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3mnc s PRO 198 CO 0.52 0.09 0.05 -1.17 0.04 0.00 0.00 177.00 176.54 3mnc s LEU 199 N -3.27 3.58 -0.25 -3.56 2.96 -0.41 -3.23 118.68 114.50 3mnc s LEU 199 Ca 0.53 -0.59 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 3mnc s LEU 199 Cb -0.10 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 3mnc s LEU 199 CO 0.22 -0.13 0.19 -1.00 -1.32 0.00 0.00 176.35 174.30 3mnc s HIS 200 N 1.50 3.30 -0.03 5.38 3.76 0.09 -1.06 115.29 128.23 3mnc s HIS 200 Ca 0.04 0.24 0.05 0.00 -0.15 0.00 0.00 55.06 55.23 3mnc s HIS 200 Cb -0.16 -2.31 -0.01 0.00 1.11 0.00 0.00 32.58 31.21 3mnc s HIS 200 CO 0.01 0.01 -0.18 0.00 -0.85 0.00 0.00 174.74 173.74 3mnc s LEU 202 N -0.11 4.24 -0.05 0.00 2.96 -1.10 -1.46 118.68 123.17 3mnc s LEU 202 Ca -0.01 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 3mnc s LEU 202 Cb -0.10 -2.88 0.02 0.00 0.50 0.00 0.00 46.19 43.74 3mnc s LEU 202 CO 0.01 -0.70 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.63 3mnc s VAL 203 N 2.91 0.45 -1.63 1.68 1.01 0.22 -4.77 120.40 120.28 3mnc s VAL 203 Ca 0.27 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 3mnc s VAL 203 Cb -0.14 -0.53 0.12 0.00 0.00 0.00 0.00 36.38 35.84 3mnc s VAL 203 CO 0.17 0.23 0.84 0.59 0.00 0.00 0.00 175.10 176.93 3mnc n ASN 204 N 4.40 -3.67 0.00 3.32 3.02 -1.26 -1.72 115.26 119.35 3mnc n ASN 204 Ca -0.20 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 3mnc n ASN 204 Cb 0.50 -3.19 0.00 0.00 -0.61 0.00 0.00 39.78 36.49 3mnc n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mnc n GLY 205 N -1.53 1.78 3.36 7.41 0.00 -1.26 -5.02 105.19 109.94 3mnc n GLY 205 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3mnc n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mnc s GLN 206 N -0.32 1.62 0.14 1.61 -1.52 -0.70 -5.10 119.66 115.39 3mnc s GLN 206 Ca 0.00 -1.22 -0.28 0.00 -1.95 0.00 0.00 55.36 51.91 3mnc s GLN 206 Cb 0.00 -1.94 -0.07 0.00 -0.22 0.00 0.00 33.01 30.78 3mnc s GLN 206 CO 0.00 0.48 0.88 0.71 -0.25 0.00 0.00 175.29 177.11 3mnc s TYR 207 N -0.92 3.86 0.12 0.91 2.02 -1.26 -0.61 117.35 121.47 3mnc s TYR 207 Ca 0.13 1.73 0.04 0.00 -0.37 0.00 0.00 57.07 58.60 3mnc s TYR 207 Cb -0.10 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 3mnc s TYR 207 CO 0.04 0.35 -0.11 0.00 -1.57 0.00 0.00 175.55 174.26 3mnc s ALA 208 N -0.54 1.31 -0.63 3.71 0.00 -0.53 -4.69 121.76 120.38 3mnc s ALA 208 Ca 0.41 -1.32 -0.22 0.00 0.00 0.00 0.00 51.96 50.84 3mnc s ALA 208 Cb -0.23 0.02 0.07 0.00 0.00 0.00 0.00 23.12 22.98 3mnc s ALA 208 CO 0.28 -0.03 0.91 0.08 0.00 0.00 0.00 175.76 177.00 3mnc s VAL 209 N -2.72 4.43 -0.46 0.00 1.01 0.40 -0.77 120.40 122.30 3mnc s VAL 209 Ca 0.10 -0.41 0.23 0.00 0.00 0.00 0.00 61.98 61.90 3mnc s VAL 209 Cb -0.01 -4.63 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 3mnc s VAL 209 CO 0.01 -1.35 1.08 1.41 0.00 0.00 0.00 175.10 176.24 3mnc n HIS 210 N 7.41 0.56 -4.06 5.22 8.25 -0.22 -4.26 115.22 128.10 3mnc n HIS 210 Ca -0.04 0.16 -0.11 0.00 -0.26 0.00 0.00 57.72 57.47 3mnc n HIS 210 Cb 0.45 -0.67 -0.11 0.00 1.12 0.00 0.00 29.99 30.78 3mnc n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3mnc s GLY 211 N -3.94 0.49 -0.22 -1.41 0.00 -1.16 -1.60 107.32 99.49 3mnc s GLY 211 Ca 0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 3mnc s GLY 211 CO 0.78 -0.93 -0.11 0.14 0.00 0.00 0.00 173.10 172.98 3mnc s VAL 212 N -1.97 2.61 0.13 1.40 1.01 -0.69 -1.29 120.40 121.61 3mnc s VAL 212 Ca -0.06 -0.94 -0.32 0.00 0.00 0.00 0.00 61.98 60.66 3mnc s VAL 212 Cb -0.06 -2.24 -0.11 0.00 0.00 0.00 0.00 36.38 33.97 3mnc s VAL 212 CO -0.02 0.35 1.79 0.41 0.00 0.00 0.00 175.10 177.64 3mnc n THR 213 N 4.66 0.27 -0.01 3.92 -1.04 0.01 -0.41 114.28 121.68 3mnc n THR 213 Ca -0.18 -0.05 -0.04 0.00 -2.04 0.00 0.00 64.05 61.74 3mnc n THR 213 Cb 0.48 -2.02 -0.01 0.00 -1.82 0.00 0.00 70.33 66.96 3mnc n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3mnc n SER 214 N 5.14 0.57 -3.52 8.00 2.88 0.08 -0.66 113.62 126.10 3mnc n SER 214 Ca 0.18 0.09 -0.11 0.00 -1.33 0.00 0.00 58.87 57.69 3mnc n SER 214 Cb 0.35 -0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.58 3mnc n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mnc s PHE 215 N -2.10 -0.38 0.35 0.66 -0.71 -0.74 -4.95 117.98 110.11 3mnc s PHE 215 Ca -0.06 0.12 0.04 0.00 -1.04 0.00 0.00 56.93 55.99 3mnc s PHE 215 Cb 0.02 0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 42.21 3mnc s PHE 215 CO 0.07 -0.79 0.07 0.14 -1.34 0.00 0.00 175.22 173.37 3mnc s VAL 216 N -3.78 1.08 0.87 -2.49 -7.23 -1.26 -1.22 120.40 106.38 3mnc s VAL 216 Ca 0.02 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 3mnc s VAL 216 Cb 0.00 -2.68 0.12 0.00 0.56 0.00 0.00 36.38 34.38 3mnc s VAL 216 CO -0.12 0.00 1.11 -0.94 -0.31 0.00 0.00 175.10 174.84 3mnc s SER 217 N -3.53 3.47 0.24 4.85 1.04 -1.24 -4.92 113.70 113.61 3mnc s SER 217 Ca 0.32 1.91 0.10 0.00 0.48 0.00 0.00 55.95 58.76 3mnc s SER 217 Cb 0.07 -2.48 0.22 0.00 0.10 0.00 0.00 66.02 63.93 3mnc s SER 217 CO 0.15 -2.71 1.52 0.03 0.98 0.00 0.00 173.24 173.22 3mnc h ARG 217 N -1.59 0.00 -0.79 4.02 3.08 -2.01 -3.19 114.38 113.90 3mnc h ARG 217 Ca -0.45 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.55 3mnc h ARG 217 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 3mnc h ARG 217 CO 0.48 0.70 0.30 -0.07 -1.07 0.00 0.00 179.97 180.31 3mnc h LEU 218 N 0.00 1.11 0.00 3.04 3.38 -2.04 -3.48 115.31 117.32 3mnc h LEU 218 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3mnc h LEU 218 Cb 1.27 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3mnc h LEU 218 CO 0.09 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.22 3mnc n GLY 219 N -0.85 0.70 0.13 0.83 0.00 -1.21 -5.07 105.19 99.73 3mnc n GLY 219 Ca 0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 3mnc n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mnc s ASN 221 N -4.09 6.76 -0.10 0.00 4.22 -1.26 -4.70 114.94 115.76 3mnc s ASN 221 Ca -0.04 -2.39 0.03 0.00 -2.14 0.00 0.00 52.86 48.31 3mnc s ASN 221 Cb 0.00 -2.35 0.01 0.00 1.28 0.00 0.00 41.25 40.19 3mnc s ASN 221 CO 0.13 -0.88 -0.18 -0.69 -2.04 0.00 0.00 177.10 173.44 3mnc s VAL 221 N 1.80 1.66 0.27 3.54 1.01 -1.26 -4.67 120.40 122.75 3mnc s VAL 221 Ca 0.31 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3mnc s VAL 221 Cb -0.06 -1.48 -0.11 0.00 0.00 0.00 0.00 36.38 34.73 3mnc s VAL 221 CO -0.08 0.47 1.56 -0.89 0.00 0.00 0.00 175.10 176.17 3mnc s THR 222 N 0.70 2.22 -1.30 3.92 2.01 -1.26 -1.56 115.64 120.37 3mnc s THR 222 Ca -0.12 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.07 3mnc s THR 222 Cb -0.16 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.23 3mnc s THR 222 CO 0.03 0.03 0.00 0.54 -0.69 0.00 0.00 174.62 174.53 3mnc n ARG 223 N 2.38 -0.95 -3.40 4.92 1.74 -0.54 -4.93 116.66 115.88 3mnc n ARG 223 Ca 0.08 0.92 -0.26 0.00 -0.77 0.00 0.00 57.85 57.82 3mnc n ARG 223 Cb 0.38 -4.97 -0.08 0.00 -1.02 0.00 0.00 32.46 26.76 3mnc n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mnc n LYS 224 N -2.45 1.72 -1.23 5.56 4.76 -0.60 -4.18 118.16 121.74 3mnc n LYS 224 Ca -0.12 -4.10 -0.35 0.00 -2.87 0.00 0.00 58.31 50.87 3mnc n LYS 224 Cb 0.43 -1.89 0.11 0.00 -1.84 0.00 0.00 35.03 31.83 3mnc n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3mnc n PRO 225 N 1.29 0.34 -1.90 1.97 -0.04 -1.26 -4.53 135.00 130.86 3mnc n PRO 225 Ca 0.26 0.18 -0.41 0.00 -0.04 0.00 0.00 63.50 63.49 3mnc n PRO 225 Cb 0.45 -2.30 -0.01 0.00 -0.04 0.00 0.00 33.50 31.60 3mnc n PRO 225 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3mnc s THR 226 N -1.97 2.26 -0.11 0.52 2.01 -0.47 -4.74 115.64 113.13 3mnc s THR 226 Ca 0.73 0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.97 3mnc s THR 226 Cb -0.32 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 3mnc s THR 226 CO 0.51 0.06 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.72 3mnc s VAL 227 N -1.14 3.48 0.08 3.82 1.01 -0.36 -1.43 120.40 125.87 3mnc s VAL 227 Ca 0.52 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.05 3mnc s VAL 227 Cb -0.44 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3mnc s VAL 227 CO 0.59 0.54 -0.21 -0.36 0.00 0.00 0.00 175.10 175.67 3mnc s PHE 228 N -0.08 1.80 0.24 5.22 0.08 0.40 -0.74 117.98 124.89 3mnc s PHE 228 Ca -0.00 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.35 3mnc s PHE 228 Cb -0.13 -1.02 -0.10 0.00 -0.57 0.00 0.00 43.02 41.19 3mnc s PHE 228 CO 0.03 0.15 1.42 0.99 -0.10 0.00 0.00 175.22 177.72 3mnc s THR 229 N -1.00 2.75 -0.56 0.64 2.01 0.45 -0.60 115.64 119.33 3mnc s THR 229 Ca 0.07 0.63 -0.27 0.00 0.31 0.00 0.00 61.69 62.42 3mnc s THR 229 Cb -0.09 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 69.05 3mnc s THR 229 CO 0.03 0.10 1.13 -0.60 -0.69 0.00 0.00 174.62 174.59 3mnc s ARG 230 N -0.31 3.49 0.31 4.92 3.52 -0.16 -1.70 118.95 129.02 3mnc s ARG 230 Ca 0.59 0.16 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 3mnc s ARG 230 Cb -0.41 -4.01 0.59 0.00 -1.56 0.00 0.00 34.95 29.56 3mnc s ARG 230 CO 0.42 -1.61 1.89 0.28 -0.81 0.00 0.00 175.30 175.47 3mnc h VAL 231 N 6.13 1.00 0.00 7.11 2.07 -1.59 -1.57 116.25 129.39 3mnc h VAL 231 Ca -0.25 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3mnc h VAL 231 Cb 1.06 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3mnc h VAL 231 CO 1.16 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 177.38 3mnc n SER 232 N -4.53 0.22 -0.02 0.57 3.41 -1.26 -0.83 113.62 111.18 3mnc n SER 232 Ca 0.15 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 3mnc n SER 232 Cb 0.28 -0.61 0.53 0.00 -0.26 0.00 0.00 64.21 64.15 3mnc n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mnc n ALA 233 N -1.60 2.72 -0.65 7.33 0.00 -0.59 -1.57 120.51 126.14 3mnc n ALA 233 Ca 0.02 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.30 3mnc n ALA 233 Cb 0.12 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.27 3mnc n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mnc n TYR 234 N -1.41 0.00 -0.05 0.00 4.02 -0.01 -4.80 117.16 114.92 3mnc n TYR 234 Ca 0.08 -0.61 -0.10 0.00 -0.01 0.00 0.00 57.90 57.26 3mnc n TYR 234 Cb 0.32 -0.08 -0.03 0.00 -0.02 0.00 0.00 39.34 39.53 3mnc n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3mnc h ILE 235 N 0.78 1.05 -0.68 -0.72 1.08 -1.72 0.00 117.51 117.30 3mnc h ILE 235 Ca 0.00 -0.09 -0.07 0.00 -0.39 0.00 0.00 64.86 64.31 3mnc h ILE 235 Cb 0.81 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 3mnc h ILE 235 CO 0.00 0.05 0.15 0.77 -0.69 0.00 0.00 178.15 178.43 3mnc h SER 236 N 0.28 1.04 -0.22 1.72 4.64 -1.92 -1.21 113.55 117.88 3mnc h SER 236 Ca 0.08 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3mnc h SER 236 Cb -0.03 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.77 3mnc h SER 236 CO -0.02 1.00 0.08 -0.25 -0.87 0.00 0.00 176.83 176.77 3mnc h TRP 237 N 1.03 0.14 -0.17 4.77 7.01 -1.78 0.29 115.95 127.25 3mnc h TRP 237 Ca 0.21 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.24 3mnc h TRP 237 Cb 0.38 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 3mnc h TRP 237 CO 0.03 0.07 0.04 0.82 -2.79 0.00 0.00 178.44 176.61 3mnc h ILE 238 N 0.18 0.94 -0.85 2.65 2.04 -0.81 -0.92 117.51 120.73 3mnc h ILE 238 Ca 0.10 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3mnc h ILE 238 Cb 0.06 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3mnc h ILE 238 CO -0.10 0.02 0.42 0.78 0.00 0.00 0.00 178.15 179.27 3mnc h ASN 239 N 0.11 1.11 -0.66 1.72 2.35 -1.03 -1.68 115.58 117.49 3mnc h ASN 239 Ca 0.07 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 3mnc h ASN 239 Cb 0.06 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 3mnc h ASN 239 CO -0.09 0.92 0.13 0.78 -1.65 0.00 0.00 177.43 177.52 3mnc h ASN 240 N 1.21 1.04 -0.18 5.81 2.35 -0.50 -1.23 115.58 124.07 3mnc h ASN 240 Ca 0.29 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3mnc h ASN 240 Cb 0.11 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3mnc h ASN 240 CO -0.04 1.03 0.04 0.58 -1.65 0.00 0.00 177.43 177.38 3mnc h VAL 241 N 1.01 1.22 -0.72 2.81 2.07 -0.82 -2.36 116.25 119.45 3mnc h VAL 241 Ca 0.20 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3mnc h VAL 241 Cb 0.42 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3mnc h VAL 241 CO 0.01 0.21 0.19 0.40 0.02 0.00 0.00 177.57 178.40 3mnc h ILE 242 N 0.10 1.26 0.00 4.57 2.04 -1.20 -2.16 117.51 122.12 3mnc h ILE 242 Ca 0.06 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 3mnc h ILE 242 Cb 0.29 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3mnc h ILE 242 CO 0.00 0.37 -0.21 0.00 0.00 0.00 0.00 178.15 178.31 3mnc h ALA 243 N 1.12 1.06 0.00 1.87 0.00 -1.18 -2.90 119.26 119.22 3mnc h ALA 243 Ca 0.23 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3mnc h ALA 243 Cb 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3mnc h ALA 243 CO -0.00 0.27 -1.08 0.77 0.00 0.00 0.00 179.25 179.20 3mnc h SER 244 N 0.00 0.00 -0.01 0.00 0.02 -1.02 -3.51 113.55 109.03 3mnc h SER 244 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mnc h SER 244 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3mnc h SER 244 CO 0.03 0.88 0.00 0.59 -1.14 0.00 0.00 176.83 177.19