#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5cel s ALA 3 N 0.00 2.53 0.39 7.33 0.00 -1.26 -1.04 121.76 129.71 5cel s ALA 3 Ca 0.00 -1.12 0.08 0.00 0.00 0.00 0.00 51.96 50.92 5cel s ALA 3 Cb 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 23.12 22.28 5cel s ALA 3 CO 0.00 0.56 0.01 0.00 0.00 0.00 0.00 175.76 176.32 5cel n THR 5 N -0.96 1.33 0.24 0.00 -2.24 -1.26 -4.18 114.28 107.20 5cel n THR 5 Ca -0.04 -2.63 0.10 0.00 -2.27 0.00 0.00 64.05 59.20 5cel n THR 5 Cb 0.65 0.38 0.61 0.00 -2.10 0.00 0.00 70.33 69.87 5cel n THR 5 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 5cel h LEU 6 N 1.63 0.00 -7.86 3.22 3.38 -1.97 -3.39 115.31 110.32 5cel h LEU 6 Ca -0.04 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.41 5cel h LEU 6 Cb 1.46 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.86 5cel h LEU 6 CO 0.22 0.18 -0.81 -1.58 0.09 0.00 0.00 178.44 176.55 5cel s GLN 7 N -4.17 1.63 0.48 1.13 2.00 -1.26 -5.04 119.66 114.44 5cel s GLN 7 Ca -0.02 -0.35 -0.23 0.00 -2.00 0.00 0.00 55.36 52.76 5cel s GLN 7 Cb 0.13 -1.50 -0.07 0.00 0.80 0.00 0.00 33.01 32.38 5cel s GLN 7 CO 0.63 -0.11 1.27 -1.54 -0.50 0.00 0.00 175.29 175.04 5cel s SER 8 N 1.13 5.84 -0.43 6.67 1.04 -1.26 -2.62 113.70 124.07 5cel s SER 8 Ca -0.06 2.57 -0.08 0.00 0.48 0.00 0.00 55.95 58.86 5cel s SER 8 Cb -0.14 -2.62 0.09 0.00 0.10 0.00 0.00 66.02 63.44 5cel s SER 8 CO -0.02 -1.17 0.27 -0.70 0.98 0.00 0.00 173.24 172.60 5cel s GLU 9 N -2.69 2.51 -0.29 4.02 2.56 -1.26 -3.87 118.70 119.68 5cel s GLU 9 Ca 0.65 -1.56 0.03 0.00 0.00 0.00 0.00 54.97 54.09 5cel s GLU 9 Cb -0.35 -3.78 0.07 0.00 2.00 0.00 0.00 34.13 32.07 5cel s GLU 9 CO 0.43 -1.01 -0.06 0.99 -0.56 0.00 0.00 175.26 175.05 5cel s THR 10 N 1.37 2.25 0.01 -1.70 2.01 -1.26 -5.03 115.64 113.30 5cel s THR 10 Ca 0.04 -1.83 -0.30 0.00 0.31 0.00 0.00 61.69 59.90 5cel s THR 10 Cb -0.24 -2.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.79 5cel s THR 10 CO 0.01 -0.20 1.41 -1.00 -0.69 0.00 0.00 174.62 174.15 5cel s HIS 11 N 1.05 2.85 0.12 4.92 0.09 -1.26 -4.87 115.29 118.19 5cel s HIS 11 Ca -0.03 0.80 -0.31 0.00 -0.00 0.00 0.00 55.06 55.52 5cel s HIS 11 Cb -0.20 -3.68 -0.10 0.00 -0.00 0.00 0.00 32.58 28.61 5cel s HIS 11 CO -0.06 -2.52 1.66 -2.14 -0.00 0.00 0.00 174.74 171.69 5cel s PRO 12 N 2.33 4.19 0.67 8.40 0.02 -1.24 -4.72 135.00 144.65 5cel s PRO 12 Ca 0.64 2.41 -0.16 0.00 0.02 0.00 0.00 61.00 63.91 5cel s PRO 12 Cb -0.32 -3.42 0.01 0.00 0.02 0.00 0.00 34.50 30.79 5cel s PRO 12 CO 0.27 -0.72 1.19 -2.14 -0.33 0.00 0.00 177.00 175.27 5cel s PRO 13 N 2.07 2.54 -0.21 5.54 0.02 -1.26 -1.40 135.00 142.30 5cel s PRO 13 Ca 0.74 1.70 -0.07 0.00 0.02 0.00 0.00 61.00 63.39 5cel s PRO 13 Cb -0.43 -1.89 0.10 0.00 0.02 0.00 0.00 34.50 32.30 5cel s PRO 13 CO 0.33 -1.51 0.44 -1.17 -0.33 0.00 0.00 177.00 174.76 5cel s LEU 14 N -4.75 -0.70 0.22 -5.54 2.96 -0.29 -4.61 118.68 105.97 5cel s LEU 14 Ca 0.74 1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 55.66 5cel s LEU 14 Cb -0.28 1.46 -0.05 0.00 0.50 0.00 0.00 46.19 47.82 5cel s LEU 14 CO 0.41 -0.23 0.46 0.42 -1.32 0.00 0.00 176.35 176.08 5cel s THR 15 N 2.65 5.10 0.13 3.68 -4.23 -0.77 -0.96 115.64 121.24 5cel s THR 15 Ca -0.02 -0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.38 5cel s THR 15 Cb -0.12 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 5cel s THR 15 CO -0.13 -0.16 0.21 -1.66 -0.54 0.00 0.00 174.62 172.33 5cel s TRP 16 N -1.89 0.40 -0.15 3.99 1.48 -0.45 -4.37 118.94 117.95 5cel s TRP 16 Ca 0.42 -0.79 -0.06 0.00 -1.06 0.00 0.00 56.10 54.61 5cel s TRP 16 Cb -0.11 -0.13 -0.04 0.00 -1.16 0.00 0.00 33.47 32.03 5cel s TRP 16 CO 0.27 -0.63 0.05 -0.65 -4.06 0.00 0.00 176.95 171.94 5cel s GLN 17 N -3.95 3.69 -0.25 3.25 -1.52 -0.05 0.32 119.66 121.15 5cel s GLN 17 Ca 0.14 -0.34 -0.06 0.00 -1.95 0.00 0.00 55.36 53.15 5cel s GLN 17 Cb 0.05 -3.11 -0.01 0.00 -0.22 0.00 0.00 33.01 29.71 5cel s GLN 17 CO -0.03 0.43 0.05 0.21 -0.25 0.00 0.00 175.29 175.69 5cel s LYS 18 N -0.08 3.45 0.19 2.91 2.47 -0.45 -0.85 119.74 127.38 5cel s LYS 18 Ca 0.06 -0.61 0.06 0.00 -1.56 0.00 0.00 55.97 53.92 5cel s LYS 18 Cb -0.12 -3.27 -0.04 0.00 -1.46 0.00 0.00 37.83 32.94 5cel s LYS 18 CO 0.01 -0.26 0.15 0.00 0.16 0.00 0.00 175.35 175.42 5cel s SER 20 N -3.34 3.23 0.65 0.00 1.04 -0.40 -4.15 113.70 110.73 5cel s SER 20 Ca 0.31 -0.96 0.41 0.00 0.48 0.00 0.00 55.95 56.20 5cel s SER 20 Cb -0.09 -0.24 2.26 0.00 0.10 0.00 0.00 66.02 68.05 5cel s SER 20 CO 0.24 0.02 2.34 0.77 0.98 0.00 0.00 173.24 177.58 5cel h SER 21 N 2.74 0.00 0.32 7.02 4.64 -1.91 -1.77 113.55 124.58 5cel h SER 21 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 5cel h SER 21 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 5cel h SER 21 CO 0.55 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 5cel n GLY 22 N -1.13 -0.91 0.05 -0.77 0.00 -1.26 -4.89 105.19 96.28 5cel n GLY 22 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 5cel n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5cel n GLY 23 N 0.44 0.85 3.39 -0.02 0.00 -0.67 -5.09 105.19 104.09 5cel n GLY 23 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 5cel n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 5cel s THR 24 N -2.01 2.07 0.00 2.61 -4.23 -1.25 -4.51 115.64 108.31 5cel s THR 24 Ca 0.00 -2.21 0.04 0.00 -1.18 0.00 0.00 61.69 58.34 5cel s THR 24 Cb 0.00 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.73 5cel s THR 24 CO 0.00 -0.43 -0.12 0.00 -0.54 0.00 0.00 174.62 173.53 5cel s THR 26 N -0.45 1.60 0.35 0.00 -4.23 -0.16 -0.63 115.64 112.13 5cel s THR 26 Ca 0.03 -0.89 -0.28 0.00 -1.18 0.00 0.00 61.69 59.37 5cel s THR 26 Cb -0.06 -1.34 -0.10 0.00 1.34 0.00 0.00 72.50 72.35 5cel s THR 26 CO -0.00 0.43 1.27 -1.58 -0.54 0.00 0.00 174.62 174.21 5cel s GLN 27 N -0.54 4.28 0.03 3.99 0.74 -1.26 -1.35 119.66 125.57 5cel s GLN 27 Ca 0.08 2.13 0.09 0.00 0.05 0.00 0.00 55.36 57.71 5cel s GLN 27 Cb -0.08 -2.99 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 5cel s GLN 27 CO -0.01 -0.22 -0.25 -0.65 -0.55 0.00 0.00 175.29 173.62 5cel s GLN 28 N -1.89 1.74 -0.21 1.67 -1.52 0.15 -4.89 119.66 114.71 5cel s GLN 28 Ca 0.51 -1.04 -0.00 0.00 -1.95 0.00 0.00 55.36 52.88 5cel s GLN 28 Cb -0.38 -1.87 0.02 0.00 -0.22 0.00 0.00 33.01 30.56 5cel s GLN 28 CO 0.50 0.49 -0.13 0.99 -0.25 0.00 0.00 175.29 176.89 5cel s THR 29 N -0.77 2.49 0.00 -0.19 2.01 -1.26 -1.34 115.64 116.58 5cel s THR 29 Ca 0.11 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.13 5cel s THR 29 Cb -0.10 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.24 5cel s THR 29 CO 0.02 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 5cel n GLY 30 N 4.64 5.60 3.82 4.40 0.00 -0.14 -4.96 105.19 118.55 5cel n GLY 30 Ca -0.19 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 5cel n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 5cel s SER 31 N 1.00 -0.10 0.06 1.61 1.04 -1.22 -1.14 113.70 114.95 5cel s SER 31 Ca 0.00 -0.73 0.09 0.00 0.48 0.00 0.00 55.95 55.79 5cel s SER 31 Cb 0.00 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 5cel s SER 31 CO 0.00 -1.27 -0.26 0.68 0.98 0.00 0.00 173.24 173.38 5cel s VAL 32 N -2.92 2.11 -0.03 5.02 -7.23 -0.49 -0.18 120.40 116.68 5cel s VAL 32 Ca 0.15 -1.45 0.05 0.00 -1.81 0.00 0.00 61.98 58.92 5cel s VAL 32 Cb -0.04 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 5cel s VAL 32 CO 0.07 0.29 -0.16 0.54 -0.31 0.00 0.00 175.10 175.52 5cel s VAL 33 N -0.86 1.33 0.25 1.32 0.11 -0.62 -3.60 120.40 118.32 5cel s VAL 33 Ca 0.12 -0.69 -0.25 0.00 -2.93 0.00 0.00 61.98 58.23 5cel s VAL 33 Cb -0.10 -1.12 -0.09 0.00 -1.53 0.00 0.00 36.38 33.54 5cel s VAL 33 CO 0.03 0.38 0.85 -0.51 -3.33 0.00 0.00 175.10 172.51 5cel s ILE 34 N -0.17 4.32 0.53 7.04 2.07 -1.26 -1.07 121.20 132.66 5cel s ILE 34 Ca 0.02 1.69 -0.22 0.00 -1.41 0.00 0.00 60.65 60.72 5cel s ILE 34 Cb -0.09 -4.04 -0.06 0.00 0.13 0.00 0.00 42.46 38.40 5cel s ILE 34 CO 0.01 0.29 1.22 -0.67 -1.91 0.00 0.00 174.94 173.88 5cel n ASP 35 N 0.96 2.09 -0.25 4.50 -0.08 -0.14 -3.79 116.55 119.85 5cel n ASP 35 Ca -0.01 0.97 0.15 0.00 -1.51 0.00 0.00 54.79 54.39 5cel n ASP 35 Cb 0.50 -1.50 0.45 0.00 2.34 0.00 0.00 41.12 42.90 5cel n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 5cel h ALA 36 N 1.34 2.02 -0.40 -1.67 0.00 -1.12 -2.67 119.26 116.74 5cel h ALA 36 Ca -0.49 0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.54 5cel h ALA 36 Cb 1.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 5cel h ALA 36 CO 0.56 -0.28 0.29 -0.91 0.00 0.00 0.00 179.25 178.91 5cel h ASN 37 N 0.54 0.06 1.36 0.00 4.21 -1.90 -1.67 115.58 118.17 5cel h ASN 37 Ca 0.45 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.96 5cel h ASN 37 Cb 0.93 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 5cel h ASN 37 CO -0.19 0.03 0.00 0.79 -1.29 0.00 0.00 177.43 176.77 5cel n TRP 38 N -4.43 0.76 -2.17 1.19 8.01 -1.01 -4.92 117.44 114.87 5cel n TRP 38 Ca 0.06 0.22 -0.27 0.00 -1.31 0.00 0.00 57.50 56.21 5cel n TRP 38 Cb 0.44 -0.87 0.05 0.00 -2.01 0.00 0.00 31.31 28.93 5cel n TRP 38 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 5cel s ARG 39 N -3.09 2.56 -0.09 -0.99 0.52 -0.63 -5.05 118.95 112.19 5cel s ARG 39 Ca 0.11 0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.05 5cel s ARG 39 Cb 0.13 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.44 5cel s ARG 39 CO 0.57 -1.05 1.00 -0.46 0.02 0.00 0.00 175.30 175.39 5cel s TRP 40 N -3.22 3.54 -0.27 -0.53 -0.00 -1.26 -4.95 118.94 112.24 5cel s TRP 40 Ca 0.58 1.61 -0.03 0.00 -0.00 0.00 0.00 56.10 58.25 5cel s TRP 40 Cb -0.11 -3.17 0.03 0.00 -0.00 0.00 0.00 33.47 30.22 5cel s TRP 40 CO 0.47 -0.19 -0.01 0.99 -0.00 0.00 0.00 176.95 178.21 5cel s THR 41 N 1.86 3.18 0.29 5.86 2.01 -1.26 -1.98 115.64 125.59 5cel s THR 41 Ca 0.49 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 61.48 5cel s THR 41 Cb -0.19 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 5cel s THR 41 CO 0.19 0.09 0.12 -1.38 -0.69 0.00 0.00 174.62 172.95 5cel s HIS 42 N 1.35 1.61 0.43 4.92 -3.43 -0.76 -0.41 115.29 119.01 5cel s HIS 42 Ca -0.01 -1.23 -0.25 0.00 -0.80 0.00 0.00 55.06 52.77 5cel s HIS 42 Cb -0.18 -0.94 -0.08 0.00 -1.43 0.00 0.00 32.58 29.95 5cel s HIS 42 CO -0.02 -0.36 1.35 0.00 -2.00 0.00 0.00 174.74 173.71 5cel s ALA 43 N -3.63 3.22 0.42 -1.38 0.00 0.84 -1.25 121.76 119.97 5cel s ALA 43 Ca 0.36 1.32 0.08 0.00 0.00 0.00 0.00 51.96 53.73 5cel s ALA 43 Cb 0.07 -3.53 0.88 0.00 0.00 0.00 0.00 23.12 20.54 5cel s ALA 43 CO 0.15 -1.00 2.04 1.79 0.00 0.00 0.00 175.76 178.74 5cel h THR 44 N 2.32 1.11 -0.40 0.00 1.35 -1.49 -3.01 112.91 112.79 5cel h THR 44 Ca -0.50 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 5cel h THR 44 Cb 1.26 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 5cel h THR 44 CO 0.62 0.12 0.00 -0.46 -0.25 0.00 0.00 175.52 175.54 5cel n ASN 45 N -4.45 3.23 -1.37 5.36 6.94 -1.26 -5.01 115.26 118.70 5cel n ASN 45 Ca 0.02 -1.96 -0.02 0.00 -0.02 0.00 0.00 54.58 52.60 5cel n ASN 45 Cb 0.10 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 5cel n ASN 45 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 5cel n SER 46 N 1.33 -0.44 -1.14 0.53 3.41 -1.14 -5.04 113.62 111.13 5cel n SER 46 Ca 0.19 -1.34 0.11 0.00 -0.26 0.00 0.00 58.87 57.57 5cel n SER 46 Cb 0.56 0.74 0.28 0.00 -0.26 0.00 0.00 64.21 65.53 5cel n SER 46 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 5cel n SER 47 N -1.28 3.34 -4.66 4.04 7.64 -1.26 -4.19 113.62 117.25 5cel n SER 47 Ca -0.01 -1.98 -0.43 0.00 1.01 0.00 0.00 58.87 57.46 5cel n SER 47 Cb 0.12 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 62.93 5cel n SER 47 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 5cel s THR 48 N -1.26 4.03 0.46 0.44 2.01 -1.26 -4.84 115.64 115.22 5cel s THR 48 Ca 0.41 1.26 -0.25 0.00 0.31 0.00 0.00 61.69 63.43 5cel s THR 48 Cb 0.22 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.84 5cel s THR 48 CO 0.30 -0.10 1.42 0.20 -0.69 0.00 0.00 174.62 175.75 5cel s ASN 49 N 2.36 5.80 0.02 3.53 -0.87 -1.26 -0.12 114.94 124.40 5cel s ASN 49 Ca 0.61 2.91 0.20 0.00 -1.57 0.00 0.00 52.86 55.01 5cel s ASN 49 Cb -0.26 -2.65 -0.20 0.00 -0.02 0.00 0.00 41.25 38.12 5cel s ASN 49 CO 0.20 -1.23 0.63 0.00 -2.57 0.00 0.00 177.10 174.14 5cel s TYR 51 N -3.21 -0.03 -0.07 0.00 5.04 -1.23 -0.40 117.35 117.45 5cel s TYR 51 Ca -0.05 0.23 -0.04 0.00 -2.44 0.00 0.00 57.07 54.77 5cel s TYR 51 Cb 0.11 -0.18 0.04 0.00 0.35 0.00 0.00 41.96 42.27 5cel s TYR 51 CO 0.85 -0.11 0.17 0.34 -1.34 0.00 0.00 175.55 175.46 5cel s ASP 52 N 1.03 -0.15 1.57 4.32 -1.08 -0.61 -4.71 116.67 117.04 5cel s ASP 52 Ca -0.08 0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 5cel s ASP 52 Cb -0.12 0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.59 5cel s ASP 52 CO -0.04 -0.14 0.00 0.61 0.52 0.00 0.00 175.17 176.13 5cel n GLY 53 N 4.03 2.79 0.77 2.66 0.00 -1.26 -2.27 105.19 111.91 5cel n GLY 53 Ca -0.24 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.80 5cel n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 5cel n ASN 54 N 9.73 1.44 -4.04 1.61 0.23 -1.03 -4.19 115.26 119.02 5cel n ASN 54 Ca 0.00 -3.06 -0.12 0.00 -0.53 0.00 0.00 54.58 50.87 5cel n ASN 54 Cb 0.00 -0.42 -0.11 0.00 -2.08 0.00 0.00 39.78 37.17 5cel n ASN 54 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 5cel s THR 55 N -1.95 0.43 0.37 5.53 -4.23 -0.96 -4.52 115.64 110.31 5cel s THR 55 Ca 0.32 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.78 5cel s THR 55 Cb 0.33 -0.51 -0.05 0.00 1.34 0.00 0.00 72.50 73.60 5cel s THR 55 CO -0.08 -0.38 0.66 0.26 -0.54 0.00 0.00 174.62 174.54 5cel s TRP 56 N -1.33 3.49 -0.19 3.99 0.52 -1.26 -1.57 118.94 122.60 5cel s TRP 56 Ca -0.11 0.77 -0.29 0.00 0.02 0.00 0.00 56.10 56.49 5cel s TRP 56 Cb -0.10 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 29.98 5cel s TRP 56 CO 0.00 -0.00 1.52 0.45 0.02 0.00 0.00 176.95 178.93 5cel s SER 57 N -3.42 6.58 0.56 2.95 0.15 0.46 -4.86 113.70 116.12 5cel s SER 57 Ca 0.46 1.71 0.36 0.00 0.70 0.00 0.00 55.95 59.18 5cel s SER 57 Cb -0.10 -2.53 1.69 0.00 -1.71 0.00 0.00 66.02 63.37 5cel s SER 57 CO 0.34 -1.07 2.09 0.77 1.20 0.00 0.00 173.24 176.56 5cel h SER 58 N 9.82 0.00 0.03 5.45 4.64 -1.90 0.12 113.55 131.70 5cel h SER 58 Ca -0.32 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.72 5cel h SER 58 Cb 1.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 5cel h SER 58 CO 0.99 0.00 -1.53 0.35 -0.87 0.00 0.00 176.83 175.77 5cel n THR 59 N -3.00 1.59 0.16 2.95 -2.24 -1.26 -3.55 114.28 108.93 5cel n THR 59 Ca -0.01 -0.19 0.03 0.00 -2.27 0.00 0.00 64.05 61.62 5cel n THR 59 Cb 0.21 -1.96 0.22 0.00 -2.10 0.00 0.00 70.33 66.71 5cel n THR 59 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 5cel h LEU 60 N -0.77 0.00 -5.90 3.22 3.38 -1.94 -3.37 115.31 109.93 5cel h LEU 60 Ca -0.40 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.01 5cel h LEU 60 Cb 1.49 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.83 5cel h LEU 60 CO -0.16 0.48 -0.85 0.00 0.09 0.00 0.00 178.44 177.99 5cel h PRO 62 N 3.63 0.00 -3.25 0.00 0.13 -1.73 -3.42 132.00 127.36 5cel h PRO 62 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 5cel h PRO 62 Cb 0.74 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.77 5cel h PRO 62 CO 0.67 0.12 0.06 0.16 -0.23 0.00 0.00 178.00 178.78 5cel s ASP 63 N -6.02 -0.30 0.31 1.44 1.47 -1.26 -4.95 116.67 107.35 5cel s ASP 63 Ca 0.02 -0.43 0.04 0.00 1.18 0.00 0.00 52.55 53.36 5cel s ASP 63 Cb 0.09 0.59 0.64 0.00 -0.34 0.00 0.00 42.92 43.90 5cel s ASP 63 CO 0.61 -1.06 1.84 0.78 0.68 0.00 0.00 175.17 178.03 5cel h ASN 64 N 2.16 0.84 -0.01 2.11 2.35 -1.89 -1.64 115.58 119.51 5cel h ASN 64 Ca -0.29 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 5cel h ASN 64 Cb 1.27 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.52 5cel h ASN 64 CO 0.37 0.43 -0.19 -0.33 -1.65 0.00 0.00 177.43 176.06 5cel h GLU 65 N 0.89 0.14 -0.67 0.81 5.08 -1.94 -2.00 114.58 116.90 5cel h GLU 65 Ca 0.49 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 5cel h GLU 65 Cb 0.57 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 5cel h GLU 65 CO -0.25 0.87 0.38 1.15 -1.00 0.00 0.00 179.01 180.16 5cel h THR 66 N -0.53 1.20 -0.13 1.13 2.02 -1.89 -1.57 112.91 113.14 5cel h THR 66 Ca -0.02 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 5cel h THR 66 Cb 0.94 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 5cel h THR 66 CO 0.04 0.22 0.04 0.00 0.37 0.00 0.00 175.52 176.19 5cel h ALA 68 N 0.87 1.38 -0.46 0.00 0.00 -1.12 0.82 119.26 120.75 5cel h ALA 68 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 5cel h ALA 68 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 5cel h ALA 68 CO -0.00 0.52 -0.13 -0.22 0.00 0.00 0.00 179.25 179.41 5cel h LYS 69 N 0.96 0.90 0.00 0.00 1.63 -1.08 -3.24 116.57 115.75 5cel h LYS 69 Ca 0.25 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 5cel h LYS 69 Cb 0.02 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 5cel h LYS 69 CO -0.04 1.01 -0.28 -0.91 -3.45 0.00 0.00 179.45 175.78 5cel h ASN 70 N 0.74 0.00 -2.98 4.20 2.35 -0.65 -3.47 115.58 115.77 5cel h ASN 70 Ca 0.11 -0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.24 5cel h ASN 70 Cb 0.69 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.93 5cel h ASN 70 CO 0.05 0.00 -0.69 0.00 -1.65 0.00 0.00 177.43 175.14 5cel s LEU 73 N -2.54 4.38 0.47 0.00 1.43 -0.21 -1.83 118.68 120.38 5cel s LEU 73 Ca 0.02 0.56 0.05 0.00 -1.03 0.00 0.00 54.13 53.73 5cel s LEU 73 Cb 0.02 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 5cel s LEU 73 CO -0.06 0.28 0.21 -0.62 0.23 0.00 0.00 176.35 176.39 5cel s ASP 74 N -1.58 4.42 1.04 2.29 -1.08 -0.84 -0.74 116.67 120.19 5cel s ASP 74 Ca 0.25 -1.25 -0.12 0.00 -0.52 0.00 0.00 52.55 50.91 5cel s ASP 74 Cb -0.13 -0.01 0.21 0.00 -1.46 0.00 0.00 42.92 41.53 5cel s ASP 74 CO 0.14 -0.77 1.07 -0.83 0.52 0.00 0.00 175.17 175.30 5cel s GLY 75 N -4.01 1.57 -0.02 2.66 0.00 -1.08 -4.61 107.32 101.84 5cel s GLY 75 Ca 0.32 -0.18 0.05 0.00 0.00 0.00 0.00 44.72 44.90 5cel s GLY 75 CO 0.18 0.44 -0.17 0.00 0.00 0.00 0.00 173.10 173.55 5cel s ALA 76 N -2.77 1.40 -0.92 3.20 0.00 -1.25 -4.77 121.76 116.65 5cel s ALA 76 Ca 0.66 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 5cel s ALA 76 Cb -0.21 -0.38 0.17 0.00 0.00 0.00 0.00 23.12 22.70 5cel s ALA 76 CO 0.60 0.33 1.01 0.00 0.00 0.00 0.00 175.76 177.70 5cel s ALA 77 N -0.31 3.71 0.21 0.00 0.00 -1.26 -4.57 121.76 119.55 5cel s ALA 77 Ca 0.05 -3.04 -0.15 0.00 0.00 0.00 0.00 51.96 48.81 5cel s ALA 77 Cb -0.07 -3.85 0.24 0.00 0.00 0.00 0.00 23.12 19.44 5cel s ALA 77 CO -0.00 -2.69 1.61 1.88 0.00 0.00 0.00 175.76 176.56 5cel h TYR 78 N 8.28 -0.52 0.25 0.00 -1.99 -1.89 -0.94 116.97 120.16 5cel h TYR 78 Ca 0.15 0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 5cel h TYR 78 Cb 1.02 0.33 0.00 0.00 2.00 0.00 0.00 36.73 40.08 5cel h TYR 78 CO 1.10 -0.32 -0.12 0.00 -0.00 0.00 0.00 178.16 178.82 5cel h ALA 79 N 1.52 -0.33 -0.35 3.88 0.00 -1.90 -0.32 119.26 121.76 5cel h ALA 79 Ca 0.31 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 5cel h ALA 79 Cb 0.52 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 5cel h ALA 79 CO -0.71 -0.32 -0.08 0.66 0.00 0.00 0.00 179.25 178.80 5cel h SER 80 N -1.07 0.56 0.04 0.00 4.64 -1.90 -0.93 113.55 114.89 5cel h SER 80 Ca -0.03 -0.14 -0.38 0.00 -0.47 0.00 0.00 61.79 60.76 5cel h SER 80 Cb 0.30 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.19 5cel h SER 80 CO 0.06 0.69 -2.27 0.41 -0.87 0.00 0.00 176.83 174.84 5cel n THR 81 N -4.21 1.59 0.63 2.95 -1.04 -0.36 -4.56 114.28 109.28 5cel n THR 81 Ca 0.01 -0.56 0.07 0.00 -2.04 0.00 0.00 64.05 61.54 5cel n THR 81 Cb 0.31 -1.59 0.05 0.00 -1.82 0.00 0.00 70.33 67.28 5cel n THR 81 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 5cel n TYR 82 N -3.47 0.00 -2.60 -1.42 4.01 -0.94 -4.66 117.16 108.08 5cel n TYR 82 Ca -0.42 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.12 5cel n TYR 82 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.02 5cel n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5cel n GLY 83 N 0.91 -0.51 3.49 2.72 0.00 -0.35 -4.58 105.19 106.86 5cel n GLY 83 Ca 0.08 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 5cel n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5cel s VAL 84 N -3.04 4.22 0.05 1.61 1.01 -0.26 -1.61 120.40 122.38 5cel s VAL 84 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 5cel s VAL 84 Cb -0.04 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 5cel s VAL 84 CO 0.12 0.41 -0.04 0.42 0.00 0.00 0.00 175.10 176.01 5cel s THR 85 N 1.04 0.28 0.07 3.92 -4.23 -0.81 -3.11 115.64 112.82 5cel s THR 85 Ca 0.03 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 5cel s THR 85 Cb -0.14 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 5cel s THR 85 CO 0.02 -0.83 -0.05 0.42 -0.54 0.00 0.00 174.62 173.64 5cel s THR 86 N -3.15 0.51 -0.29 3.99 -4.23 -1.26 -1.05 115.64 110.16 5cel s THR 86 Ca 0.01 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 5cel s THR 86 Cb 0.02 -1.45 0.18 0.00 1.34 0.00 0.00 72.50 72.59 5cel s THR 86 CO -0.07 -0.84 0.53 -0.55 -0.54 0.00 0.00 174.62 173.15 5cel s SER 87 N -2.78 -0.95 1.79 3.99 0.15 -0.15 -4.99 113.70 110.76 5cel s SER 87 Ca 0.07 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.92 5cel s SER 87 Cb 0.04 1.77 0.00 0.00 -1.71 0.00 0.00 66.02 66.12 5cel s SER 87 CO -0.06 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.69 5cel n GLY 88 N 5.40 2.97 1.23 9.45 0.00 -1.26 -1.34 105.19 121.64 5cel n GLY 88 Ca 0.02 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.25 5cel n GLY 88 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 5cel n ASN 89 N 9.99 3.59 -4.63 1.61 0.23 -1.26 -1.85 115.26 122.94 5cel n ASN 89 Ca 0.00 -2.18 -0.33 0.00 -0.53 0.00 0.00 54.58 51.54 5cel n ASN 89 Cb 0.00 -0.46 -0.10 0.00 -2.08 0.00 0.00 39.78 37.14 5cel n ASN 89 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 5cel s SER 90 N -0.91 4.85 -0.06 0.53 0.15 -0.45 -1.97 113.70 115.83 5cel s SER 90 Ca 0.41 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 57.04 5cel s SER 90 Cb 0.24 -1.23 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 5cel s SER 90 CO 0.24 0.32 -0.05 -0.22 1.20 0.00 0.00 173.24 174.73 5cel s LEU 91 N -1.17 1.21 -0.02 3.45 2.96 0.59 -0.97 118.68 124.71 5cel s LEU 91 Ca 0.16 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 5cel s LEU 91 Cb -0.11 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 5cel s LEU 91 CO 0.05 -0.08 -0.26 -0.44 -1.32 0.00 0.00 176.35 174.31 5cel s SER 92 N 1.22 3.01 -0.11 3.68 0.01 -0.21 -0.89 113.70 120.40 5cel s SER 92 Ca -0.06 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.73 5cel s SER 92 Cb -0.14 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.72 5cel s SER 92 CO -0.02 0.31 -0.09 -0.63 0.41 0.00 0.00 173.24 173.22 5cel s ILE 93 N -0.55 1.09 0.44 1.44 1.01 -0.50 -1.92 121.20 122.22 5cel s ILE 93 Ca 0.08 -0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 5cel s ILE 93 Cb -0.10 -1.09 -0.08 0.00 0.01 0.00 0.00 42.46 41.20 5cel s ILE 93 CO -0.00 0.38 0.86 -1.81 0.00 0.00 0.00 174.94 174.36 5cel s ASP 94 N 1.63 6.63 -0.05 3.58 1.01 -0.63 -1.95 116.67 126.88 5cel s ASP 94 Ca 0.04 1.36 -0.14 0.00 0.71 0.00 0.00 52.55 54.52 5cel s ASP 94 Cb -0.13 -2.42 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 5cel s ASP 94 CO -0.08 -0.44 0.58 0.15 0.21 0.00 0.00 175.17 175.59 5cel h PHE 95 N 1.31 -0.34 -3.22 4.23 3.57 -0.87 -3.31 116.94 118.30 5cel h PHE 95 Ca -0.47 -0.01 -0.65 0.00 3.53 0.00 0.00 57.97 60.37 5cel h PHE 95 Cb 1.18 0.11 -0.34 0.00 2.79 0.00 0.00 35.95 39.70 5cel h PHE 95 CO 0.62 -0.11 -0.86 0.08 -2.23 0.00 0.00 178.31 175.80 5cel s VAL 96 N -3.02 1.93 -0.12 1.41 1.01 -0.54 0.53 120.40 121.60 5cel s VAL 96 Ca -0.08 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.02 5cel s VAL 96 Cb 0.01 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.68 5cel s VAL 96 CO 0.26 0.52 -0.18 -0.89 0.00 0.00 0.00 175.10 174.82 5cel s THR 97 N 0.85 1.70 -0.21 3.92 2.01 -0.61 -4.74 115.64 118.56 5cel s THR 97 Ca -0.07 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 5cel s THR 97 Cb -0.15 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 5cel s THR 97 CO -0.02 0.48 0.06 -1.10 -0.69 0.00 0.00 174.62 173.35 5cel s GLN 98 N 0.89 3.82 0.00 4.92 -1.52 -1.26 -0.96 119.66 125.54 5cel s GLN 98 Ca -0.08 -0.41 0.00 0.00 -1.95 0.00 0.00 55.36 52.92 5cel s GLN 98 Cb -0.15 -3.24 0.00 0.00 -0.22 0.00 0.00 33.01 29.39 5cel s GLN 98 CO -0.01 0.07 0.00 -1.13 -0.25 0.00 0.00 175.29 173.98 5cel n SER 99 N 4.13 0.00 0.20 5.90 3.41 -1.26 -4.95 113.62 121.05 5cel n SER 99 Ca -0.16 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.48 5cel n SER 99 Cb 0.52 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.89 5cel n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5cel h ALA 100 N 1.00 1.52 -2.46 7.33 0.00 -1.95 -3.44 119.26 121.26 5cel h ALA 100 Ca 0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 54.91 54.28 5cel h ALA 100 Cb 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.60 5cel h ALA 100 CO 0.00 0.36 -0.57 1.14 0.00 0.00 0.00 179.25 180.18 5cel s GLN 101 N -4.39 1.49 -0.05 0.00 1.03 -1.26 -5.15 119.66 111.33 5cel s GLN 101 Ca -0.03 -1.83 -0.17 0.00 0.04 0.00 0.00 55.36 53.37 5cel s GLN 101 Cb 0.15 0.00 -0.05 0.00 0.03 0.00 0.00 33.01 33.14 5cel s GLN 101 CO 0.71 -0.43 0.45 0.21 -2.54 0.00 0.00 175.29 173.69 5cel s LYS 102 N -3.89 4.14 0.01 9.60 2.20 -1.26 -4.45 119.74 126.08 5cel s LYS 102 Ca 0.37 0.44 0.07 0.00 -0.36 0.00 0.00 55.97 56.50 5cel s LYS 102 Cb 0.06 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 5cel s LYS 102 CO 0.17 0.45 -0.22 1.21 -0.36 0.00 0.00 175.35 176.60 5cel s ASN 103 N -0.32 2.61 -0.29 1.43 2.47 -0.14 -5.00 114.94 115.70 5cel s ASN 103 Ca 0.25 -0.46 0.01 0.00 0.42 0.00 0.00 52.86 53.07 5cel s ASN 103 Cb -0.16 -0.26 0.06 0.00 -1.45 0.00 0.00 41.25 39.44 5cel s ASN 103 CO 0.12 0.23 -0.04 -0.69 -3.72 0.00 0.00 177.10 173.00 5cel s VAL 104 N -0.65 2.56 0.00 -5.21 1.01 -1.26 -1.57 120.40 115.28 5cel s VAL 104 Ca 0.09 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.46 5cel s VAL 104 Cb -0.09 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.76 5cel s VAL 104 CO 0.00 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.58 5cel n GLY 105 N 4.50 1.02 3.60 4.51 0.00 0.19 -4.94 105.19 114.08 5cel n GLY 105 Ca -0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 5cel n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5cel s ALA 106 N -1.97 -2.12 -0.12 4.61 0.00 -1.05 -4.94 121.76 116.16 5cel s ALA 106 Ca 0.00 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 5cel s ALA 106 Cb 0.00 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.19 5cel s ALA 106 CO 0.00 -0.74 -0.05 0.50 0.00 0.00 0.00 175.76 175.47 5cel s ARG 107 N -2.42 1.30 0.14 0.00 3.52 -1.26 -1.91 118.95 118.32 5cel s ARG 107 Ca 0.11 -0.27 0.10 0.00 -0.13 0.00 0.00 55.73 55.54 5cel s ARG 107 Cb 0.01 -1.62 -0.04 0.00 -1.56 0.00 0.00 34.95 31.74 5cel s ARG 107 CO -0.04 -0.34 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.36 5cel s LEU 108 N 1.74 2.35 0.03 -0.88 1.43 0.04 -0.97 118.68 122.42 5cel s LEU 108 Ca 0.04 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.45 5cel s LEU 108 Cb -0.13 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 5cel s LEU 108 CO -0.08 0.12 -0.26 -0.31 0.23 0.00 0.00 176.35 176.06 5cel s TYR 109 N -1.30 2.31 -0.02 0.29 2.02 -0.23 -1.39 117.35 119.03 5cel s TYR 109 Ca 0.14 -0.42 -0.28 0.00 -0.37 0.00 0.00 57.07 56.14 5cel s TYR 109 Cb -0.09 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 5cel s TYR 109 CO 0.07 0.09 0.89 -1.17 -1.57 0.00 0.00 175.55 173.86 5cel s LEU 110 N -1.10 4.35 0.08 -1.29 2.96 -0.90 -1.59 118.68 121.20 5cel s LEU 110 Ca 0.11 1.51 0.02 0.00 -0.22 0.00 0.00 54.13 55.56 5cel s LEU 110 Cb -0.10 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 5cel s LEU 110 CO 0.01 -0.22 0.12 -0.04 -1.32 0.00 0.00 176.35 174.90 5cel s MET 111 N 0.99 3.02 -0.10 1.98 -1.94 0.75 -1.80 119.30 122.19 5cel s MET 111 Ca 0.47 -0.65 -0.12 0.00 -1.71 0.00 0.00 55.69 53.69 5cel s MET 111 Cb -0.20 -2.80 -0.27 0.00 2.01 0.00 0.00 34.83 33.57 5cel s MET 111 CO 0.25 0.57 0.50 0.00 -0.01 0.00 0.00 175.02 176.33 5cel h ALA 112 N 3.15 0.26 -2.77 3.03 0.00 -0.96 -3.23 119.26 118.75 5cel h ALA 112 Ca -0.46 -1.22 -0.38 0.00 0.00 0.00 0.00 54.91 52.85 5cel h ALA 112 Cb 1.17 0.57 -0.14 0.00 0.00 0.00 0.00 17.79 19.39 5cel h ALA 112 CO 0.68 1.04 -0.54 -1.54 0.00 0.00 0.00 179.25 178.89 5cel s SER 113 N -7.11 1.06 0.00 0.00 1.04 -1.09 -4.83 113.70 102.77 5cel s SER 113 Ca -0.20 -1.61 0.07 0.00 0.48 0.00 0.00 55.95 54.69 5cel s SER 113 Cb 0.06 0.48 0.35 0.00 0.10 0.00 0.00 66.02 67.01 5cel s SER 113 CO 0.78 -0.97 1.14 0.47 0.98 0.00 0.00 173.24 175.64 5cel n ASP 114 N -1.03 0.00 0.00 7.02 8.00 -1.26 -2.63 116.55 126.66 5cel n ASP 114 Ca 0.05 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.84 5cel n ASP 114 Cb 0.64 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 5cel n ASP 114 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 5cel n THR 115 N -1.36 0.45 -3.86 -3.53 -2.24 -1.26 -4.24 114.28 98.25 5cel n THR 115 Ca 0.03 -0.53 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 5cel n THR 115 Cb 0.07 0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 69.07 5cel n THR 115 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 5cel s THR 116 N -0.45 0.08 0.28 4.28 -4.23 -1.08 -4.36 115.64 110.16 5cel s THR 116 Ca 0.00 -0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 59.73 5cel s THR 116 Cb 0.00 -0.44 -0.08 0.00 1.34 0.00 0.00 72.50 73.32 5cel s THR 116 CO 0.00 -0.35 0.70 -0.31 -0.54 0.00 0.00 174.62 174.12 5cel s TYR 117 N -1.29 3.46 0.01 3.99 2.02 0.24 -0.46 117.35 125.31 5cel s TYR 117 Ca -0.14 1.20 -0.30 0.00 -0.37 0.00 0.00 57.07 57.47 5cel s TYR 117 Cb -0.07 -2.51 -0.03 0.00 -0.40 0.00 0.00 41.96 38.95 5cel s TYR 117 CO 0.02 0.19 0.98 -1.14 -1.57 0.00 0.00 175.55 174.03 5cel s GLN 118 N -2.67 4.57 -0.02 -0.62 2.00 -0.75 -4.32 119.66 117.85 5cel s GLN 118 Ca 0.50 1.42 -0.00 0.00 -2.00 0.00 0.00 55.36 55.28 5cel s GLN 118 Cb -0.12 -3.45 -0.04 0.00 0.80 0.00 0.00 33.01 30.20 5cel s GLN 118 CO 0.19 -0.04 0.05 -1.21 -0.50 0.00 0.00 175.29 173.78 5cel s GLU 119 N 0.95 2.99 -0.04 1.67 0.41 -1.26 -4.28 118.70 119.13 5cel s GLU 119 Ca 0.52 -0.50 0.03 0.00 -0.41 0.00 0.00 54.97 54.62 5cel s GLU 119 Cb -0.21 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.33 5cel s GLU 119 CO 0.28 0.65 -0.14 -0.06 -0.49 0.00 0.00 175.26 175.51 5cel s PHE 120 N -1.11 1.43 -0.41 1.61 0.40 0.41 -4.82 117.98 115.48 5cel s PHE 120 Ca 0.20 -0.41 -0.14 0.00 -0.60 0.00 0.00 56.93 55.98 5cel s PHE 120 Cb -0.12 -0.98 0.03 0.00 0.51 0.00 0.00 43.02 42.46 5cel s PHE 120 CO 0.11 -0.16 0.29 0.99 0.70 0.00 0.00 175.22 177.15 5cel s THR 121 N 0.16 5.04 0.09 0.64 2.01 -1.26 -0.70 115.64 121.63 5cel s THR 121 Ca -0.05 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 5cel s THR 121 Cb -0.11 -3.86 -0.18 0.00 0.01 0.00 0.00 72.50 68.36 5cel s THR 121 CO 0.02 -0.35 1.26 -0.07 -0.69 0.00 0.00 174.62 174.79 5cel h LEU 122 N 8.59 0.94 -9.36 4.42 3.38 -1.70 -3.43 115.31 118.16 5cel h LEU 122 Ca -0.27 -0.67 -0.64 0.00 0.09 0.00 0.00 57.88 56.40 5cel h LEU 122 Cb 1.11 -0.28 0.05 0.00 0.09 0.00 0.00 40.66 41.63 5cel h LEU 122 CO 0.74 1.46 0.73 -0.11 0.09 0.00 0.00 178.44 181.36 5cel n LEU 123 N -3.92 2.58 0.00 1.67 7.94 -0.33 -0.55 117.00 124.39 5cel n LEU 123 Ca -0.09 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 5cel n LEU 123 Cb 0.79 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.43 5cel n LEU 123 CO 0.54 -0.53 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 5cel n GLY 124 N 3.33 1.69 3.79 -3.96 0.00 0.22 -4.98 105.19 105.28 5cel n GLY 124 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 5cel n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 5cel s ASN 125 N -3.34 4.21 0.04 1.61 0.01 0.29 -3.10 114.94 114.65 5cel s ASN 125 Ca 0.00 -1.63 0.02 0.00 -0.71 0.00 0.00 52.86 50.54 5cel s ASN 125 Cb 0.00 0.59 -0.02 0.00 0.41 0.00 0.00 41.25 42.23 5cel s ASN 125 CO 0.00 -0.92 -0.08 -1.83 -1.51 0.00 0.00 177.10 172.76 5cel s GLU 126 N -3.94 0.54 -0.12 -0.60 -1.05 0.30 -1.25 118.70 112.59 5cel s GLU 126 Ca 0.06 -0.72 0.03 0.00 -0.15 0.00 0.00 54.97 54.20 5cel s GLU 126 Cb 0.01 -0.35 0.01 0.00 -0.44 0.00 0.00 34.13 33.36 5cel s GLU 126 CO 0.04 0.07 -0.22 0.12 0.95 0.00 0.00 175.26 176.21 5cel s PHE 127 N -1.25 2.55 0.06 4.83 5.36 -0.18 -2.37 117.98 126.99 5cel s PHE 127 Ca -0.08 -1.16 0.08 0.00 -0.96 0.00 0.00 56.93 54.80 5cel s PHE 127 Cb -0.09 -1.73 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 5cel s PHE 127 CO 0.00 -0.51 -0.21 0.45 -1.46 0.00 0.00 175.22 173.50 5cel s SER 128 N 0.59 2.49 0.02 6.13 0.15 0.42 -1.38 113.70 122.12 5cel s SER 128 Ca -0.13 -0.57 -0.28 0.00 0.70 0.00 0.00 55.95 55.67 5cel s SER 128 Cb -0.17 -0.19 0.07 0.00 -1.71 0.00 0.00 66.02 64.03 5cel s SER 128 CO 0.03 0.13 0.68 0.72 1.20 0.00 0.00 173.24 176.00 5cel s PHE 129 N -0.90 -0.58 -0.01 3.44 -0.71 -0.98 -0.63 117.98 117.60 5cel s PHE 129 Ca 0.07 0.76 -0.01 0.00 -1.04 0.00 0.00 56.93 56.71 5cel s PHE 129 Cb -0.09 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 5cel s PHE 129 CO 0.02 -0.68 0.12 -0.51 -1.34 0.00 0.00 175.22 172.84 5cel s ASP 130 N -1.82 5.96 -0.06 1.98 1.01 0.58 -0.96 116.67 123.37 5cel s ASP 130 Ca -0.05 0.23 -0.08 0.00 0.71 0.00 0.00 52.55 53.36 5cel s ASP 130 Cb -0.00 -1.78 0.02 0.00 1.01 0.00 0.00 42.92 42.16 5cel s ASP 130 CO 0.00 0.27 0.21 0.54 0.21 0.00 0.00 175.17 176.41 5cel s VAL 131 N -1.24 0.02 -0.31 -1.27 0.11 -0.30 -0.94 120.40 116.47 5cel s VAL 131 Ca 0.24 -0.17 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 5cel s VAL 131 Cb -0.12 -0.36 0.06 0.00 -1.53 0.00 0.00 36.38 34.43 5cel s VAL 131 CO 0.15 -0.09 0.02 -0.62 -3.33 0.00 0.00 175.10 171.23 5cel s ASP 132 N -0.28 4.88 0.00 3.54 -1.08 -0.62 -1.78 116.67 121.33 5cel s ASP 132 Ca -0.04 -1.44 0.18 0.00 -0.52 0.00 0.00 52.55 50.73 5cel s ASP 132 Cb -0.03 -1.70 0.47 0.00 -1.46 0.00 0.00 42.92 40.20 5cel s ASP 132 CO 0.01 -0.30 1.39 1.33 0.52 0.00 0.00 175.17 178.12 5cel n VAL 133 N 4.58 0.90 0.01 1.11 0.24 -1.26 -3.10 118.33 120.80 5cel n VAL 133 Ca -0.11 -0.95 0.20 0.00 -2.04 0.00 0.00 64.34 61.44 5cel n VAL 133 Cb 0.43 0.59 0.68 0.00 -1.47 0.00 0.00 33.84 34.07 5cel n VAL 133 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 5cel h SER 134 N 3.40 0.01 -0.62 -1.34 4.64 -1.81 -1.38 113.55 116.45 5cel h SER 134 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 5cel h SER 134 Cb 0.87 -0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.89 5cel h SER 134 CO 0.00 0.01 0.15 0.00 -0.87 0.00 0.00 176.83 176.12 5cel n GLN 135 N -4.39 3.95 -3.89 4.77 1.13 -1.26 -4.81 117.38 112.88 5cel n GLN 135 Ca 0.09 -2.84 -0.33 0.00 -1.94 0.00 0.00 57.00 51.98 5cel n GLN 135 Cb 0.58 -2.17 -0.13 0.00 0.11 0.00 0.00 30.24 28.63 5cel n GLN 135 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 5cel s LEU 136 N -2.63 4.98 0.00 1.08 1.43 -0.52 -2.98 118.68 120.04 5cel s LEU 136 Ca 0.50 -2.20 -0.07 0.00 -1.03 0.00 0.00 54.13 51.34 5cel s LEU 136 Cb 0.39 -1.73 0.12 0.00 0.03 0.00 0.00 46.19 45.01 5cel s LEU 136 CO 0.13 -0.44 0.74 -0.81 0.23 0.00 0.00 176.35 176.20 5cel n PRO 137 N 4.28 -0.49 -1.60 1.29 -0.04 -1.26 -0.77 135.00 136.43 5cel n PRO 137 Ca 0.02 -1.37 -0.42 0.00 -0.04 0.00 0.00 63.50 61.69 5cel n PRO 137 Cb 0.41 -0.70 0.01 0.00 -0.04 0.00 0.00 33.50 33.18 5cel n PRO 137 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5cel n GLY 139 N 1.23 2.15 3.84 0.00 0.00 -1.26 -4.39 105.19 106.75 5cel n GLY 139 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 5cel n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5cel s LEU 140 N 0.00 3.78 -0.24 0.99 1.02 -0.98 -4.06 118.68 119.18 5cel s LEU 140 Ca 0.00 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.81 5cel s LEU 140 Cb 0.00 -2.34 0.13 0.00 0.02 0.00 0.00 46.19 44.00 5cel s LEU 140 CO 0.00 -0.13 0.41 0.21 0.02 0.00 0.00 176.35 176.85 5cel s ASN 141 N -3.90 -0.02 -0.78 2.29 3.84 -0.79 -4.41 114.94 111.17 5cel s ASN 141 Ca 0.35 0.43 -0.17 0.00 0.21 0.00 0.00 52.86 53.68 5cel s ASN 141 Cb -0.07 1.27 0.16 0.00 -0.55 0.00 0.00 41.25 42.05 5cel s ASN 141 CO 0.26 -0.28 0.85 -0.83 -2.79 0.00 0.00 177.10 174.30 5cel s GLY 142 N 2.59 2.16 0.10 1.21 0.00 -0.34 -1.93 107.32 111.12 5cel s GLY 142 Ca 0.11 -2.81 -0.11 0.00 0.00 0.00 0.00 44.72 41.91 5cel s GLY 142 CO -0.16 1.58 0.45 0.00 0.00 0.00 0.00 173.10 174.97 5cel s ALA 143 N 1.71 3.68 -0.05 3.20 0.00 -0.47 -4.01 121.76 125.82 5cel s ALA 143 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 5cel s ALA 143 Cb -0.13 -2.34 0.03 0.00 0.00 0.00 0.00 23.12 20.67 5cel s ALA 143 CO -0.04 0.53 0.00 -1.17 0.00 0.00 0.00 175.76 175.08 5cel s LEU 144 N -1.97 0.77 0.38 0.00 0.20 -0.18 -0.29 118.68 117.58 5cel s LEU 144 Ca 0.35 -0.06 -0.14 0.00 0.69 0.00 0.00 54.13 54.97 5cel s LEU 144 Cb -0.14 -0.36 0.05 0.00 -0.43 0.00 0.00 46.19 45.31 5cel s LEU 144 CO 0.19 -0.16 0.75 -0.72 -0.29 0.00 0.00 176.35 176.11 5cel s TYR 145 N 1.64 0.23 0.02 5.38 1.13 -0.12 -0.72 117.35 124.92 5cel s TYR 145 Ca -0.01 -0.85 0.07 0.00 -1.41 0.00 0.00 57.07 54.87 5cel s TYR 145 Cb -0.13 0.72 -0.02 0.00 -1.10 0.00 0.00 41.96 41.43 5cel s TYR 145 CO -0.03 -1.51 -0.21 -0.06 -2.51 0.00 0.00 175.55 171.23 5cel s PHE 146 N -2.44 1.84 0.04 -3.49 0.08 -0.51 0.01 117.98 113.51 5cel s PHE 146 Ca 0.17 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.87 5cel s PHE 146 Cb -0.05 -1.13 -0.02 0.00 -0.57 0.00 0.00 43.02 41.25 5cel s PHE 146 CO 0.12 0.05 -0.06 0.14 -0.10 0.00 0.00 175.22 175.37 5cel s VAL 147 N -0.69 0.41 -1.43 -0.44 -7.23 -0.85 -0.31 120.40 109.86 5cel s VAL 147 Ca 0.08 -1.05 -0.12 0.00 -1.81 0.00 0.00 61.98 59.08 5cel s VAL 147 Cb -0.09 -0.53 0.06 0.00 0.56 0.00 0.00 36.38 36.38 5cel s VAL 147 CO 0.01 -0.43 2.25 -1.20 -0.31 0.00 0.00 175.10 175.42 5cel n SER 148 N 1.46 5.00 -4.92 4.85 7.64 -1.03 -0.63 113.62 126.00 5cel n SER 148 Ca -0.23 -2.88 -0.27 0.00 1.01 0.00 0.00 58.87 56.50 5cel n SER 148 Cb 0.55 -1.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.13 5cel n SER 148 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 5cel s MET 149 N 2.18 3.56 0.36 1.43 -1.94 -1.26 -2.73 119.30 120.90 5cel s MET 149 Ca 0.49 -0.18 -0.26 0.00 -1.71 0.00 0.00 55.69 54.02 5cel s MET 149 Cb 0.14 -2.70 -0.09 0.00 2.01 0.00 0.00 34.83 34.19 5cel s MET 149 CO -0.06 0.24 1.09 -0.51 -0.01 0.00 0.00 175.02 175.77 5cel s ASP 150 N -3.41 6.86 0.50 3.03 1.01 -1.26 -4.67 116.67 118.72 5cel s ASP 150 Ca 0.41 2.17 0.22 0.00 0.71 0.00 0.00 52.55 56.06 5cel s ASP 150 Cb -0.10 -2.60 1.30 0.00 1.01 0.00 0.00 42.92 42.52 5cel s ASP 150 CO 0.31 -0.43 2.06 0.00 0.21 0.00 0.00 175.17 177.32 5cel h ALA 151 N 2.91 1.49 -0.01 5.23 0.00 -1.98 -2.05 119.26 124.85 5cel h ALA 151 Ca -0.48 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.31 5cel h ALA 151 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 5cel h ALA 151 CO 0.64 0.17 -0.19 -0.40 0.00 0.00 0.00 179.25 179.46 5cel n ASP 152 N -3.96 1.51 0.00 0.00 5.68 -1.26 -0.59 116.55 117.92 5cel n ASP 152 Ca -0.02 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 5cel n ASP 152 Cb 0.22 0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 5cel n ASP 152 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 5cel n GLY 153 N 1.30 0.43 0.00 6.12 0.00 -0.77 -1.84 105.19 110.43 5cel n GLY 153 Ca 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.52 5cel n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5cel n GLY 154 N -3.00 0.34 0.20 -0.02 0.00 -1.26 -2.56 105.19 98.89 5cel n GLY 154 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 5cel n GLY 154 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 5cel h VAL 155 N 0.00 0.64 -0.33 1.61 2.07 -1.78 -1.30 116.25 117.16 5cel h VAL 155 Ca 0.00 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 5cel h VAL 155 Cb 0.00 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 5cel h VAL 155 CO 0.00 0.03 -0.03 0.77 0.02 0.00 0.00 177.57 178.36 5cel h SER 156 N 0.14 0.49 0.81 0.57 4.64 -1.90 -3.05 113.55 115.26 5cel h SER 156 Ca 0.25 -0.10 -0.24 0.00 -0.47 0.00 0.00 61.79 61.23 5cel h SER 156 Cb 0.37 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 5cel h SER 156 CO -0.39 0.58 -1.22 0.11 -0.87 0.00 0.00 176.83 175.04 5cel h LYS 157 N 0.50 0.04 -3.08 4.77 1.57 -1.89 -3.42 116.57 115.06 5cel h LYS 157 Ca 0.10 -0.06 -0.61 0.00 -1.87 0.00 0.00 60.65 58.21 5cel h LYS 157 Cb 0.36 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 32.30 5cel h LYS 157 CO 0.01 0.90 -0.73 0.71 -0.57 0.00 0.00 179.45 179.78 5cel s TYR 158 N -2.67 2.10 0.46 -1.35 2.02 -0.52 -5.00 117.35 112.38 5cel s TYR 158 Ca -0.01 -2.47 0.28 0.00 -0.37 0.00 0.00 57.07 54.50 5cel s TYR 158 Cb 0.09 -1.98 1.34 0.00 -0.40 0.00 0.00 41.96 41.01 5cel s TYR 158 CO 0.83 -0.79 1.75 -1.35 -1.57 0.00 0.00 175.55 174.42 5cel h PRO 159 N 6.79 0.18 0.00 -1.71 0.11 -1.82 -0.34 132.00 135.21 5cel h PRO 159 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 5cel h PRO 159 Cb 0.93 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.00 5cel h PRO 159 CO 0.50 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 178.66 5cel n THR 160 N -4.45 1.03 -3.50 -1.15 -2.24 -1.26 -4.23 114.28 98.48 5cel n THR 160 Ca 0.28 0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.90 5cel n THR 160 Cb 1.15 -1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 5cel n THR 160 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 5cel s ASN 161 N -2.91 5.85 0.00 3.42 2.47 -0.14 -4.41 114.94 119.22 5cel s ASN 161 Ca 0.07 -1.56 0.13 0.00 0.42 0.00 0.00 52.86 51.92 5cel s ASN 161 Cb 0.08 -2.07 0.03 0.00 -1.45 0.00 0.00 41.25 37.84 5cel s ASN 161 CO 0.22 -0.63 0.78 0.35 -3.72 0.00 0.00 177.10 174.10 5cel n THR 162 N 5.03 0.00 -0.03 -5.21 -2.24 -1.26 -4.47 114.28 106.09 5cel n THR 162 Ca -0.11 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 5cel n THR 162 Cb 0.42 1.19 -0.11 0.00 -2.10 0.00 0.00 70.33 69.73 5cel n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 5cel h ALA 163 N 2.31 0.03 -0.86 6.98 0.00 -1.90 -3.42 119.26 122.40 5cel h ALA 163 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 5cel h ALA 163 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 5cel h ALA 163 CO 0.00 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.59 5cel n GLY 164 N 0.80 0.62 0.31 0.00 0.00 -1.26 -3.81 105.19 101.86 5cel n GLY 164 Ca -0.09 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.19 5cel n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5cel h ALA 165 N -0.86 2.18 0.00 4.61 0.00 -1.57 -1.32 119.26 122.30 5cel h ALA 165 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 5cel h ALA 165 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 5cel h ALA 165 CO 0.00 -0.27 -0.03 -0.22 0.00 0.00 0.00 179.25 178.73 5cel h LYS 166 N 0.00 0.00 -0.24 0.00 3.64 -1.74 -1.94 116.57 116.29 5cel h LYS 166 Ca 0.10 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 5cel h LYS 166 Cb 0.42 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 5cel h LYS 166 CO -0.00 0.03 -0.04 0.66 -2.27 0.00 0.00 179.45 177.83 5cel n TYR 167 N -4.44 0.81 -3.56 1.91 4.02 -0.54 -4.92 117.16 110.44 5cel n TYR 167 Ca -0.03 -1.15 -0.22 0.00 -0.01 0.00 0.00 57.90 56.49 5cel n TYR 167 Cb 0.11 -0.34 0.08 0.00 -0.02 0.00 0.00 39.34 39.17 5cel n TYR 167 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 5cel n GLY 168 N -0.88 -0.48 3.99 2.72 0.00 -0.73 -3.37 105.19 106.44 5cel n GLY 168 Ca 0.24 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 5cel n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 5cel s THR 169 N -3.34 2.55 0.00 2.61 -4.23 -0.96 -1.11 115.64 111.16 5cel s THR 169 Ca 0.39 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 5cel s THR 169 Cb -0.18 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.85 5cel s THR 169 CO 0.74 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 5cel n GLY 170 N -2.37 0.76 3.70 3.99 0.00 -1.06 -4.51 105.19 105.70 5cel n GLY 170 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 5cel n GLY 170 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 5cel n TYR 171 N -2.27 1.70 -3.48 1.61 9.36 -1.26 -4.67 117.16 118.13 5cel n TYR 171 Ca 0.00 0.42 -0.13 0.00 3.32 0.00 0.00 57.90 61.51 5cel n TYR 171 Cb 0.00 -2.25 -0.04 0.00 -0.63 0.00 0.00 39.34 36.43 5cel n TYR 171 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 5cel s ASP 173 N -2.02 -0.01 0.00 0.00 1.47 -1.14 -4.81 116.67 110.16 5cel s ASP 173 Ca -0.02 -1.08 0.16 0.00 1.18 0.00 0.00 52.55 52.79 5cel s ASP 173 Cb -0.01 0.82 0.90 0.00 -0.34 0.00 0.00 42.92 44.29 5cel s ASP 173 CO -0.03 -1.62 1.43 -1.20 0.68 0.00 0.00 175.17 174.43 5cel n SER 174 N -1.35 0.00 -0.34 2.11 7.64 -0.99 -1.79 113.62 118.90 5cel n SER 174 Ca -0.08 -0.23 0.12 0.00 1.01 0.00 0.00 58.87 59.70 5cel n SER 174 Cb 0.60 -0.14 0.27 0.00 -1.01 0.00 0.00 64.21 63.93 5cel n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 5cel n GLN 175 N -1.14 1.02 -3.69 1.43 1.13 -1.26 -3.96 117.38 110.90 5cel n GLN 175 Ca 0.10 -0.69 -0.27 0.00 -1.94 0.00 0.00 57.00 54.20 5cel n GLN 175 Cb 0.09 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 28.99 5cel n GLN 175 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 5cel n PRO 177 N -4.16 0.73 0.00 0.00 -0.04 -1.24 -3.78 135.00 126.52 5cel n PRO 177 Ca -0.17 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 5cel n PRO 177 Cb 0.63 -1.91 0.17 0.00 -0.04 0.00 0.00 33.50 32.35 5cel n PRO 177 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 5cel n ARG 178 N 5.31 2.09 0.00 0.54 1.74 -1.26 -2.13 116.66 122.94 5cel n ARG 178 Ca 0.31 -1.66 0.14 0.00 -0.77 0.00 0.00 57.85 55.86 5cel n ARG 178 Cb 0.07 -1.47 0.60 0.00 -1.02 0.00 0.00 32.46 30.64 5cel n ARG 178 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 5cel n ASP 179 N 1.00 0.15 -4.74 0.55 5.75 -1.26 -0.66 116.55 117.33 5cel n ASP 179 Ca 0.14 0.07 -0.41 0.00 -0.01 0.00 0.00 54.79 54.58 5cel n ASP 179 Cb 0.54 -0.28 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 5cel n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 5cel s LEU 180 N -2.81 4.41 0.19 -2.12 1.43 -1.26 -4.76 118.68 113.76 5cel s LEU 180 Ca 0.19 2.43 0.10 0.00 -1.03 0.00 0.00 54.13 55.82 5cel s LEU 180 Cb 0.19 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.81 5cel s LEU 180 CO 0.53 -0.55 1.40 0.11 0.23 0.00 0.00 176.35 178.08 5cel h LYS 181 N 5.32 0.00 -4.23 1.70 1.57 -1.95 -3.42 116.57 115.57 5cel h LYS 181 Ca -0.45 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.87 5cel h LYS 181 Cb 1.21 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.18 5cel h LYS 181 CO 0.77 0.81 -0.79 -0.06 -0.57 0.00 0.00 179.45 179.61 5cel s PHE 182 N -3.00 1.10 -0.02 -1.35 0.08 -1.26 -0.27 117.98 113.26 5cel s PHE 182 Ca 0.01 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.66 5cel s PHE 182 Cb 0.10 -0.90 0.03 0.00 -0.57 0.00 0.00 43.02 41.68 5cel s PHE 182 CO 0.79 -0.27 0.02 0.42 -0.10 0.00 0.00 175.22 176.08 5cel s ILE 183 N 0.99 0.02 -1.39 0.64 1.01 0.09 -4.82 121.20 117.75 5cel s ILE 183 Ca -0.09 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 5cel s ILE 183 Cb -0.15 -0.15 0.03 0.00 0.01 0.00 0.00 42.46 42.21 5cel s ILE 183 CO 0.00 0.11 0.97 0.59 0.00 0.00 0.00 174.94 176.61 5cel n ASN 184 N 4.23 -3.91 0.00 3.58 4.13 -1.26 -2.07 115.26 119.96 5cel n ASN 184 Ca -0.26 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.29 5cel n ASN 184 Cb 0.50 -4.40 0.00 0.00 -1.54 0.00 0.00 39.78 34.34 5cel n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 5cel n GLY 185 N -1.67 0.30 3.32 7.41 0.00 -1.26 -4.89 105.19 108.41 5cel n GLY 185 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 5cel n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 5cel s GLN 186 N -0.88 1.26 0.95 1.61 -0.21 -0.88 -4.41 119.66 117.09 5cel s GLN 186 Ca 0.00 -1.47 -0.14 0.00 0.02 0.00 0.00 55.36 53.77 5cel s GLN 186 Cb 0.00 -1.14 0.17 0.00 1.00 0.00 0.00 33.01 33.03 5cel s GLN 186 CO 0.00 0.21 1.18 0.00 -2.12 0.00 0.00 175.29 174.56 5cel s ALA 187 N -2.55 1.83 -0.20 6.09 0.00 -0.78 -0.73 121.76 125.42 5cel s ALA 187 Ca 0.18 -0.76 0.13 0.00 0.00 0.00 0.00 51.96 51.51 5cel s ALA 187 Cb -0.03 -2.94 0.40 0.00 0.00 0.00 0.00 23.12 20.54 5cel s ALA 187 CO 0.06 -2.43 1.22 -1.71 0.00 0.00 0.00 175.76 172.90 5cel n ASN 188 N -3.85 1.90 -0.10 0.00 5.15 0.63 -4.64 115.26 114.35 5cel n ASN 188 Ca 0.10 -3.72 -0.03 0.00 -0.60 0.00 0.00 54.58 50.33 5cel n ASN 188 Cb 0.60 -0.51 0.19 0.00 -0.53 0.00 0.00 39.78 39.53 5cel n ASN 188 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 5cel h VAL 189 N 0.79 1.23 -2.72 3.44 3.04 -1.92 -3.37 116.25 116.74 5cel h VAL 189 Ca 0.01 -0.90 -0.53 0.00 -1.01 0.00 0.00 66.70 64.27 5cel h VAL 189 Cb 1.03 0.81 0.02 0.00 -2.01 0.00 0.00 31.29 31.14 5cel h VAL 189 CO 0.02 0.32 0.98 -1.61 -1.01 0.00 0.00 177.57 176.27 5cel s GLU 190 N -5.07 4.21 0.00 4.17 2.02 -1.26 -1.74 118.70 121.03 5cel s GLU 190 Ca -0.09 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.19 5cel s GLU 190 Cb 0.15 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.80 5cel s GLU 190 CO 0.80 -0.71 0.00 0.41 0.02 0.00 0.00 175.26 175.78 5cel n GLY 191 N 3.95 0.82 3.71 -1.39 0.00 -1.26 -1.39 105.19 109.62 5cel n GLY 191 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 5cel n GLY 191 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 5cel n TRP 192 N -2.33 2.68 -3.90 1.61 -0.00 -0.71 -4.09 117.44 110.69 5cel n TRP 192 Ca 0.00 0.05 -0.29 0.00 -0.00 0.00 0.00 57.50 57.26 5cel n TRP 192 Cb 0.00 -2.66 -0.16 0.00 -0.00 0.00 0.00 31.31 28.48 5cel n TRP 192 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 5cel s GLU 193 N 1.28 1.48 0.53 5.87 0.41 0.46 -4.94 118.70 123.78 5cel s GLU 193 Ca 0.76 -0.67 -0.21 0.00 -0.41 0.00 0.00 54.97 54.44 5cel s GLU 193 Cb -0.53 -2.21 -0.05 0.00 -1.78 0.00 0.00 34.13 29.56 5cel s GLU 193 CO 0.33 -0.49 1.27 -2.14 -0.49 0.00 0.00 175.26 173.74 5cel s PRO 194 N 1.57 3.29 0.28 0.39 0.02 -1.26 -0.48 135.00 138.80 5cel s PRO 194 Ca -0.01 2.01 -0.29 0.00 0.02 0.00 0.00 61.00 62.72 5cel s PRO 194 Cb -0.16 -2.23 -0.10 0.00 0.02 0.00 0.00 34.50 32.03 5cel s PRO 194 CO -0.07 -1.00 1.23 -1.12 -0.33 0.00 0.00 177.00 175.71 5cel s SER 195 N -1.21 6.98 0.35 2.53 0.01 -0.05 -4.86 113.70 117.45 5cel s SER 195 Ca 0.70 2.47 0.19 0.00 1.31 0.00 0.00 55.95 60.62 5cel s SER 195 Cb -0.35 -2.63 0.46 0.00 0.21 0.00 0.00 66.02 63.71 5cel s SER 195 CO 0.41 -0.39 1.63 0.28 0.41 0.00 0.00 173.24 175.57 5cel h SER 196 N 4.00 0.00 -0.00 2.44 0.02 -1.93 -3.33 113.55 114.75 5cel h SER 196 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 5cel h SER 196 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 5cel h SER 196 CO 0.69 0.38 -0.31 -0.46 -1.14 0.00 0.00 176.83 175.98 5cel n ASN 197 N -3.34 0.74 -4.06 3.07 6.94 -1.26 -4.95 115.26 112.40 5cel n ASN 197 Ca 0.01 -0.87 -0.32 0.00 -0.02 0.00 0.00 54.58 53.38 5cel n ASN 197 Cb 0.59 0.76 -0.16 0.00 -2.36 0.00 0.00 39.78 38.61 5cel n ASN 197 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 5cel s ASN 198 N -1.58 3.10 0.47 0.53 3.84 -1.25 -5.00 114.94 115.04 5cel s ASN 198 Ca 0.05 -0.67 0.32 0.00 0.21 0.00 0.00 52.86 52.77 5cel s ASN 198 Cb 0.07 -1.35 1.49 0.00 -0.55 0.00 0.00 41.25 40.92 5cel s ASN 198 CO 0.30 -0.05 1.95 0.00 -2.79 0.00 0.00 177.10 176.51 5cel h ALA 199 N 7.97 1.00 0.00 1.71 0.00 -1.93 -3.11 119.26 124.90 5cel h ALA 199 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 5cel h ALA 199 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 5cel h ALA 199 CO 0.57 0.00 -1.00 0.09 0.00 0.00 0.00 179.25 178.91 5cel n ASN 200 N -2.73 0.87 -4.68 0.00 3.02 -1.26 -2.45 115.26 108.03 5cel n ASN 200 Ca -0.00 -0.67 -0.29 0.00 -0.03 0.00 0.00 54.58 53.59 5cel n ASN 200 Cb 0.18 1.18 -0.09 0.00 -0.61 0.00 0.00 39.78 40.44 5cel n ASN 200 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 5cel s THR 201 N -2.66 1.81 0.01 3.41 -4.23 -1.18 -4.52 115.64 108.27 5cel s THR 201 Ca 0.03 -1.95 -0.00 0.00 -1.18 0.00 0.00 61.69 58.59 5cel s THR 201 Cb 0.12 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.20 5cel s THR 201 CO 0.66 0.00 0.02 0.61 -0.54 0.00 0.00 174.62 175.38 5cel n GLY 202 N -1.10 1.68 2.73 3.99 0.00 -1.26 -0.87 105.19 110.35 5cel n GLY 202 Ca -0.08 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 5cel n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5cel s ILE 203 N -2.80 0.12 0.73 -0.61 1.01 0.36 -4.24 121.20 115.78 5cel s ILE 203 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.92 5cel s ILE 203 Cb -0.00 -0.32 0.14 0.00 0.01 0.00 0.00 42.46 42.29 5cel s ILE 203 CO 0.00 0.21 1.00 -0.83 0.00 0.00 0.00 174.94 175.33 5cel s GLY 204 N 1.94 1.74 0.00 6.18 0.00 0.16 -0.40 107.32 116.94 5cel s GLY 204 Ca 0.03 -1.88 0.21 0.00 0.00 0.00 0.00 44.72 43.09 5cel s GLY 204 CO -0.04 -1.27 1.68 0.61 0.00 0.00 0.00 173.10 174.09 5cel n GLY 205 N -2.84 -1.20 3.31 0.20 0.00 -0.48 -4.80 105.19 99.38 5cel n GLY 205 Ca 0.16 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 5cel n GLY 205 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 5cel s HIS 206 N -2.94 1.72 0.24 1.61 3.76 -1.26 -0.20 115.29 118.23 5cel s HIS 206 Ca 0.12 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 5cel s HIS 206 Cb 0.14 -0.87 -0.05 0.00 1.11 0.00 0.00 32.58 32.91 5cel s HIS 206 CO 0.38 0.28 0.04 0.20 -0.85 0.00 0.00 174.74 174.80 5cel s GLY 207 N -2.62 1.64 -0.27 -2.22 0.00 -0.69 -4.28 107.32 98.87 5cel s GLY 207 Ca 0.14 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 43.06 5cel s GLY 207 CO 0.06 -1.64 -0.01 -0.45 0.00 0.00 0.00 173.10 171.06 5cel s SER 208 N -3.31 4.16 0.30 1.64 0.15 -0.91 -1.27 113.70 114.46 5cel s SER 208 Ca 0.32 -1.51 -0.03 0.00 0.70 0.00 0.00 55.95 55.44 5cel s SER 208 Cb 0.07 -1.27 -0.05 0.00 -1.71 0.00 0.00 66.02 63.06 5cel s SER 208 CO 0.11 -0.29 0.55 0.00 1.20 0.00 0.00 173.24 174.80 5cel n SER 211 N 0.00 1.65 -3.73 0.00 7.64 -0.65 -2.33 113.62 116.20 5cel n SER 211 Ca 0.00 0.95 -0.16 0.00 1.01 0.00 0.00 58.87 60.66 5cel n SER 211 Cb 0.00 -1.45 -0.16 0.00 -1.01 0.00 0.00 64.21 61.59 5cel n SER 211 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 5cel s GLN 212 N -2.54 -0.02 -0.73 1.43 0.74 -0.95 -2.45 119.66 115.13 5cel s GLN 212 Ca 0.70 0.32 -0.12 0.00 0.05 0.00 0.00 55.36 56.31 5cel s GLN 212 Cb -0.46 -0.32 0.19 0.00 1.10 0.00 0.00 33.01 33.52 5cel s GLN 212 CO 0.51 -0.23 0.65 1.41 -0.55 0.00 0.00 175.29 177.08 5cel s MET 213 N 1.54 3.26 -1.23 1.67 -2.45 0.58 -0.88 119.30 121.80 5cel s MET 213 Ca -0.04 -2.35 -0.20 0.00 -1.25 0.00 0.00 55.69 51.86 5cel s MET 213 Cb -0.12 -4.24 0.04 0.00 1.25 0.00 0.00 34.83 31.75 5cel s MET 213 CO -0.04 -1.27 1.74 0.34 1.05 0.00 0.00 175.02 176.85 5cel s ASP 214 N 2.06 6.44 0.16 1.11 -1.08 -0.00 -1.43 116.67 123.94 5cel s ASP 214 Ca 0.15 -2.14 -0.14 0.00 -0.52 0.00 0.00 52.55 49.91 5cel s ASP 214 Cb -0.15 -2.58 0.05 0.00 -1.46 0.00 0.00 42.92 38.78 5cel s ASP 214 CO -0.06 -1.58 1.75 0.40 0.52 0.00 0.00 175.17 176.20 5cel h ILE 215 N 5.88 1.19 -2.64 4.11 2.04 -1.81 0.19 117.51 126.48 5cel h ILE 215 Ca 0.37 -0.54 -0.34 0.00 1.00 0.00 0.00 64.86 65.35 5cel h ILE 215 Cb 0.90 0.59 -0.37 0.00 -0.74 0.00 0.00 36.82 37.21 5cel h ILE 215 CO 1.41 0.21 -0.65 0.86 0.00 0.00 0.00 178.15 179.98 5cel s TRP 216 N -5.74 -0.18 -0.25 1.37 -0.11 0.11 -4.36 118.94 109.77 5cel s TRP 216 Ca -0.13 0.12 0.03 0.00 1.22 0.00 0.00 56.10 57.34 5cel s TRP 216 Cb 0.12 -0.42 0.06 0.00 -1.50 0.00 0.00 33.47 31.72 5cel s TRP 216 CO 0.77 -0.58 -0.11 -1.21 -4.62 0.00 0.00 176.95 171.19 5cel s GLU 217 N 2.29 2.27 0.13 5.86 0.41 -0.97 -1.01 118.70 127.68 5cel s GLU 217 Ca 0.06 -1.31 -0.25 0.00 -0.41 0.00 0.00 54.97 53.06 5cel s GLU 217 Cb -0.16 -2.86 0.07 0.00 -1.78 0.00 0.00 34.13 29.40 5cel s GLU 217 CO -0.11 -0.55 0.86 0.00 -0.49 0.00 0.00 175.26 174.97 5cel s ALA 218 N 1.12 -1.63 0.00 5.21 0.00 -1.26 -0.99 121.76 124.21 5cel s ALA 218 Ca -0.08 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.23 5cel s ALA 218 Cb -0.20 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.57 5cel s ALA 218 CO -0.06 -0.91 0.00 0.27 0.00 0.00 0.00 175.76 175.07 5cel n ASN 219 N -0.39 0.00 0.05 0.00 0.23 -0.75 -1.20 115.26 113.20 5cel n ASN 219 Ca -0.08 -0.53 0.10 0.00 -0.53 0.00 0.00 54.58 53.54 5cel n ASN 219 Cb 0.61 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.74 5cel n ASN 219 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 5cel n SER 220 N -1.42 0.31 -0.13 0.53 3.41 0.05 -4.00 113.62 112.37 5cel n SER 220 Ca 0.00 0.56 -0.28 0.00 -0.26 0.00 0.00 58.87 58.89 5cel n SER 220 Cb 0.00 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.22 5cel n SER 220 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 5cel n ILE 221 N -1.82 1.53 -4.21 -1.33 2.08 -1.26 -3.80 119.36 110.54 5cel n ILE 221 Ca 0.04 -0.30 -0.12 0.00 0.56 0.00 0.00 62.75 62.92 5cel n ILE 221 Cb 0.25 -1.92 -0.10 0.00 -0.75 0.00 0.00 39.64 37.11 5cel n ILE 221 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 5cel s SER 222 N -7.34 1.09 -0.09 4.38 0.01 -1.26 -4.63 113.70 105.86 5cel s SER 222 Ca -0.37 -1.13 -0.14 0.00 1.31 0.00 0.00 55.95 55.62 5cel s SER 222 Cb 0.13 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.52 5cel s SER 222 CO 0.51 -0.55 0.36 -1.83 0.41 0.00 0.00 173.24 172.14 5cel s GLU 223 N -3.90 0.55 0.04 12.44 4.04 -1.26 -1.81 118.70 128.79 5cel s GLU 223 Ca 0.20 0.26 0.00 0.00 0.04 0.00 0.00 54.97 55.47 5cel s GLU 223 Cb 0.06 0.25 -0.03 0.00 0.02 0.00 0.00 34.13 34.44 5cel s GLU 223 CO 0.01 -0.11 -0.04 0.00 -1.84 0.00 0.00 175.26 173.28 5cel s ALA 224 N -0.40 0.34 -0.14 -0.84 0.00 -0.16 -4.23 121.76 116.33 5cel s ALA 224 Ca -0.05 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.09 5cel s ALA 224 Cb -0.03 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.27 5cel s ALA 224 CO 0.02 -0.19 -0.14 -1.17 0.00 0.00 0.00 175.76 174.28 5cel s LEU 225 N -1.94 1.68 -0.16 0.00 2.96 -0.84 -2.29 118.68 118.09 5cel s LEU 225 Ca -0.08 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.32 5cel s LEU 225 Cb -0.05 -1.16 0.08 0.00 0.50 0.00 0.00 46.19 45.56 5cel s LEU 225 CO -0.03 -0.04 0.21 -0.89 -1.32 0.00 0.00 176.35 174.28 5cel s THR 226 N 1.39 -0.33 0.11 3.68 2.01 0.67 -0.79 115.64 122.38 5cel s THR 226 Ca 0.03 0.06 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 5cel s THR 226 Cb -0.13 -0.55 -0.07 0.00 0.01 0.00 0.00 72.50 71.75 5cel s THR 226 CO -0.09 -0.07 0.72 -2.16 -0.69 0.00 0.00 174.62 172.33 5cel s PRO 227 N 2.33 4.46 -0.19 4.92 0.04 -1.25 -0.82 135.00 144.49 5cel s PRO 227 Ca 0.05 1.02 -0.00 0.00 0.04 0.00 0.00 61.00 62.11 5cel s PRO 227 Cb -0.14 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.16 5cel s PRO 227 CO -0.10 0.52 -0.06 -1.01 0.04 0.00 0.00 177.00 176.39 5cel s HIS 228 N -0.87 1.97 0.44 0.56 3.76 -0.05 -2.27 115.29 118.82 5cel s HIS 228 Ca 0.34 -1.32 -0.04 0.00 -0.15 0.00 0.00 55.06 53.90 5cel s HIS 228 Cb -0.22 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.01 5cel s HIS 228 CO 0.23 -0.68 0.72 -1.25 -0.85 0.00 0.00 174.74 172.91 5cel s PRO 229 N 1.54 3.53 0.01 8.40 0.04 -1.26 -2.25 135.00 145.02 5cel s PRO 229 Ca -0.01 0.05 -0.00 0.00 0.04 0.00 0.00 61.00 61.08 5cel s PRO 229 Cb -0.16 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 5cel s PRO 229 CO -0.08 -0.10 -0.02 0.00 0.04 0.00 0.00 177.00 176.85 5cel h THR 231 N 4.80 0.61 -3.17 0.00 1.35 -0.79 -3.35 112.91 112.35 5cel h THR 231 Ca -0.30 -0.06 -0.67 0.00 -0.55 0.00 0.00 66.41 64.84 5cel h THR 231 Cb 1.21 1.04 -0.33 0.00 -1.73 0.00 0.00 68.15 68.34 5cel h THR 231 CO 0.44 0.01 -0.83 -0.89 -0.25 0.00 0.00 175.52 174.00 5cel s THR 232 N -4.66 2.35 0.08 6.82 2.01 -1.26 -5.06 115.64 115.91 5cel s THR 232 Ca -0.05 -0.85 -0.31 0.00 0.31 0.00 0.00 61.69 60.79 5cel s THR 232 Cb 0.15 -1.99 -0.18 0.00 0.01 0.00 0.00 72.50 70.49 5cel s THR 232 CO 0.57 0.52 1.65 0.58 -0.69 0.00 0.00 174.62 177.25 5cel h VAL 233 N 5.84 0.46 -4.69 3.82 2.07 -1.96 -3.41 116.25 118.38 5cel h VAL 233 Ca -0.40 0.00 -0.39 0.00 0.82 0.00 0.00 66.70 66.73 5cel h VAL 233 Cb 1.16 0.46 0.10 0.00 -1.52 0.00 0.00 31.29 31.49 5cel h VAL 233 CO 0.61 0.00 0.19 0.61 0.02 0.00 0.00 177.57 178.99 5cel n GLY 234 N -1.41 -0.03 3.62 2.17 0.00 -1.26 -1.63 105.19 106.64 5cel n GLY 234 Ca -0.12 -1.92 -0.49 0.00 0.00 0.00 0.00 46.02 43.49 5cel n GLY 234 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 5cel n GLN 235 N -2.87 1.49 -3.68 1.61 0.00 -1.10 -4.39 117.38 108.43 5cel n GLN 235 Ca 0.14 0.54 -0.10 0.00 -0.00 0.00 0.00 57.00 57.58 5cel n GLN 235 Cb 0.51 -2.19 -0.10 0.00 0.00 0.00 0.00 30.24 28.46 5cel n GLN 235 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 5cel s GLU 236 N 0.35 0.50 0.51 3.69 2.12 0.41 -4.97 118.70 121.32 5cel s GLU 236 Ca 0.79 0.88 -0.20 0.00 0.36 0.00 0.00 54.97 56.80 5cel s GLU 236 Cb -0.84 0.07 -0.07 0.00 0.26 0.00 0.00 34.13 33.55 5cel s GLU 236 CO 0.46 -0.14 1.11 -1.50 -0.54 0.00 0.00 175.26 174.65 5cel s ILE 237 N 1.26 3.29 0.10 -3.70 2.07 -1.26 -0.27 121.20 122.70 5cel s ILE 237 Ca -0.08 0.84 0.04 0.00 -1.41 0.00 0.00 60.65 60.03 5cel s ILE 237 Cb -0.07 -3.35 -0.04 0.00 0.13 0.00 0.00 42.46 39.13 5cel s ILE 237 CO -0.12 -0.15 -0.10 0.00 -1.91 0.00 0.00 174.94 172.67 5cel s GLU 239 N -2.99 3.69 1.56 0.00 0.41 -1.26 -1.71 118.70 118.39 5cel s GLU 239 Ca 0.07 -0.46 0.00 0.00 -0.41 0.00 0.00 54.97 54.17 5cel s GLU 239 Cb -0.01 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.00 5cel s GLU 239 CO -0.00 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.02 5cel n GLY 240 N 4.83 2.47 0.07 -1.39 0.00 0.73 -1.71 105.19 110.19 5cel n GLY 240 Ca -0.16 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.85 5cel n GLY 240 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 5cel n ASP 241 N 1.01 0.30 0.12 1.61 8.00 -1.26 -1.61 116.55 124.72 5cel n ASP 241 Ca 0.00 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.21 5cel n ASP 241 Cb 0.00 -0.65 0.47 0.00 -0.02 0.00 0.00 41.12 40.92 5cel n ASP 241 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5cel n GLY 242 N -0.54 -1.28 0.22 0.44 0.00 -0.70 -2.10 105.19 101.23 5cel n GLY 242 Ca 0.01 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 5cel n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5cel n GLY 244 N -0.22 0.32 0.48 0.00 0.00 -0.89 -4.45 105.19 100.43 5cel n GLY 244 Ca -0.01 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.21 5cel n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5cel n GLY 245 N 0.00 -1.52 0.37 -0.02 0.00 0.75 -3.66 105.19 101.11 5cel n GLY 245 Ca 0.00 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 44.75 5cel n GLY 245 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 5cel h THR 246 N -0.45 0.82 -0.01 2.61 2.02 -1.88 -2.55 112.91 113.49 5cel h THR 246 Ca 0.01 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.04 5cel h THR 246 Cb 0.44 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 5cel h THR 246 CO 0.00 0.08 -0.03 -1.22 0.37 0.00 0.00 175.52 174.72 5cel n TYR 247 N -4.48 0.00 -4.27 3.16 4.01 -1.26 -4.88 117.16 109.45 5cel n TYR 247 Ca 0.13 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.64 5cel n TYR 247 Cb 0.49 -0.05 -0.08 0.00 -0.31 0.00 0.00 39.34 39.39 5cel n TYR 247 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 5cel s SER 248 N -2.12 4.42 0.12 7.72 0.01 -0.96 -4.96 113.70 117.94 5cel s SER 248 Ca 0.39 -0.80 -0.14 0.00 1.31 0.00 0.00 55.95 56.72 5cel s SER 248 Cb 0.21 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 5cel s SER 248 CO 0.39 -0.14 1.50 0.44 0.41 0.00 0.00 173.24 175.83 5cel h ASP 249 N 1.80 0.80 -3.38 2.44 5.19 -1.89 -3.38 116.42 118.00 5cel h ASP 249 Ca -0.43 -0.40 -0.73 0.00 -0.62 0.00 0.00 57.03 54.84 5cel h ASP 249 Cb 1.25 -0.22 -0.23 0.00 0.18 0.00 0.00 39.33 40.31 5cel h ASP 249 CO 0.63 1.02 -0.38 0.21 -3.12 0.00 0.00 179.24 177.60 5cel s ASN 250 N -6.47 6.03 0.51 6.45 2.47 -1.26 -4.95 114.94 117.71 5cel s ASN 250 Ca -0.12 -1.26 0.28 0.00 0.42 0.00 0.00 52.86 52.17 5cel s ASN 250 Cb 0.10 -2.14 1.35 0.00 -1.45 0.00 0.00 41.25 39.11 5cel s ASN 250 CO 0.83 -0.58 2.02 0.08 -3.72 0.00 0.00 177.10 175.72 5cel h ARG 251 N 8.66 0.00 -4.81 0.43 0.11 -1.75 -3.35 114.38 113.67 5cel h ARG 251 Ca -0.27 0.00 -0.72 0.00 0.10 0.00 0.00 59.98 59.09 5cel h ARG 251 Cb 1.11 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 32.01 5cel h ARG 251 CO 0.82 0.14 1.08 0.71 0.10 0.00 0.00 179.97 182.82 5cel s TYR 252 N -4.02 3.37 0.13 4.08 2.02 -1.26 -0.18 117.35 121.49 5cel s TYR 252 Ca -0.02 -1.84 -0.02 0.00 -0.37 0.00 0.00 57.07 54.82 5cel s TYR 252 Cb 0.12 -4.27 0.03 0.00 -0.40 0.00 0.00 41.96 37.44 5cel s TYR 252 CO 0.59 -1.41 0.17 0.41 -1.57 0.00 0.00 175.55 173.73 5cel n GLY 253 N 4.64 -1.25 0.07 0.71 0.00 -1.26 -4.84 105.19 103.26 5cel n GLY 253 Ca 0.30 -1.66 0.13 0.00 0.00 0.00 0.00 46.02 44.79 5cel n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5cel n GLY 254 N 3.76 -1.57 0.00 -0.02 0.00 -0.58 -4.63 105.19 102.15 5cel n GLY 254 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.92 5cel n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 5cel n THR 255 N -2.09 0.00 -4.25 2.61 -2.24 -1.26 -4.87 114.28 102.19 5cel n THR 255 Ca 0.05 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.58 5cel n THR 255 Cb 0.42 -0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 5cel n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 5cel s ASP 257 N -3.18 6.19 0.24 0.00 2.15 -0.63 -4.51 116.67 116.92 5cel s ASP 257 Ca 0.28 -0.65 0.26 0.00 0.43 0.00 0.00 52.55 52.87 5cel s ASP 257 Cb -0.08 -2.22 0.83 0.00 -0.30 0.00 0.00 42.92 41.15 5cel s ASP 257 CO 0.19 -0.55 1.76 1.55 -0.17 0.00 0.00 175.17 177.95 5cel h PRO 258 N 8.69 0.00 0.00 4.34 0.13 -1.83 -3.37 132.00 139.96 5cel h PRO 258 Ca -0.27 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 5cel h PRO 258 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 5cel h PRO 258 CO 0.78 0.00 -0.72 -0.44 -0.23 0.00 0.00 178.00 177.39 5cel h ASP 259 N 0.00 0.00 -4.32 1.44 3.32 -1.92 -3.47 116.42 111.46 5cel h ASP 259 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 5cel h ASP 259 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 5cel h ASP 259 CO 0.00 1.01 0.00 0.61 -1.72 0.00 0.00 179.24 179.14 5cel n GLY 260 N 1.56 -0.84 3.32 2.75 0.00 -1.26 -4.62 105.19 106.09 5cel n GLY 260 Ca -0.16 -1.68 -0.45 0.00 0.00 0.00 0.00 46.02 43.74 5cel n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5cel s ASP 262 N 1.40 7.00 -0.30 0.00 -4.77 -1.26 -3.89 116.67 114.85 5cel s ASP 262 Ca 0.27 1.83 -0.00 0.00 -3.30 0.00 0.00 52.55 51.35 5cel s ASP 262 Cb -0.10 -2.56 0.09 0.00 -1.09 0.00 0.00 42.92 39.26 5cel s ASP 262 CO -0.08 -0.32 0.08 0.86 0.70 0.00 0.00 175.17 176.40 5cel s TRP 263 N -1.87 1.95 -0.26 2.11 -0.11 0.03 -4.97 118.94 115.83 5cel s TRP 263 Ca 0.57 -1.82 0.01 0.00 1.22 0.00 0.00 56.10 56.08 5cel s TRP 263 Cb -0.15 -1.80 0.05 0.00 -1.50 0.00 0.00 33.47 30.07 5cel s TRP 263 CO 0.20 -0.86 -0.09 1.21 -4.62 0.00 0.00 176.95 172.79 5cel s ASN 264 N 1.53 4.34 0.30 5.86 3.84 -1.26 -1.98 114.94 127.58 5cel s ASN 264 Ca 0.08 -1.17 0.06 0.00 0.21 0.00 0.00 52.86 52.05 5cel s ASN 264 Cb -0.18 -1.60 0.79 0.00 -0.55 0.00 0.00 41.25 39.71 5cel s ASN 264 CO -0.20 -0.17 1.73 -0.65 -2.79 0.00 0.00 177.10 175.02 5cel h PRO 265 N 7.89 0.54 -0.15 0.43 0.11 -1.89 -0.64 132.00 138.29 5cel h PRO 265 Ca -0.26 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 5cel h PRO 265 Cb 1.07 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 5cel h PRO 265 CO 0.52 0.36 0.03 -0.92 -0.21 0.00 0.00 178.00 177.78 5cel h TYR 266 N 0.55 0.25 -0.24 0.65 5.03 -1.84 -0.87 116.97 120.50 5cel h TYR 266 Ca 0.59 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.87 5cel h TYR 266 Cb 1.08 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.28 5cel h TYR 266 CO -0.05 0.39 0.14 -0.09 -1.32 0.00 0.00 178.16 177.22 5cel h ARG 267 N 0.03 0.31 -0.00 1.82 2.43 -1.34 -1.47 114.38 116.16 5cel h ARG 267 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 5cel h ARG 267 Cb 0.27 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 5cel h ARG 267 CO 0.00 0.23 -0.04 1.28 -1.51 0.00 0.00 179.97 179.93 5cel n LEU 268 N -4.48 0.17 0.00 3.80 4.77 -0.39 -4.67 117.00 116.20 5cel n LEU 268 Ca 0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 5cel n LEU 268 Cb 0.09 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 5cel n LEU 268 CO 0.35 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 5cel n GLY 269 N 1.24 1.89 3.37 -0.72 0.00 -0.55 -4.73 105.19 105.69 5cel n GLY 269 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 5cel n GLY 269 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 5cel s ASN 270 N -1.92 6.55 0.00 1.61 3.84 -0.36 -4.86 114.94 119.80 5cel s ASN 270 Ca 0.00 -2.16 0.27 0.00 0.21 0.00 0.00 52.86 51.18 5cel s ASN 270 Cb 0.00 -2.28 1.31 0.00 -0.55 0.00 0.00 41.25 39.73 5cel s ASN 270 CO 0.00 -0.85 1.88 0.35 -2.79 0.00 0.00 177.10 175.69 5cel n THR 271 N 4.83 0.03 0.24 -5.21 -2.24 -1.26 -3.39 114.28 107.29 5cel n THR 271 Ca 0.09 -0.15 0.04 0.00 -2.27 0.00 0.00 64.05 61.76 5cel n THR 271 Cb 0.46 0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.80 5cel n THR 271 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 5cel n SER 272 N -0.31 1.88 0.04 3.42 7.64 -1.26 -4.74 113.62 120.29 5cel n SER 272 Ca 0.20 -1.47 -0.20 0.00 1.01 0.00 0.00 58.87 58.41 5cel n SER 272 Cb 0.24 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.27 5cel n SER 272 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 5cel h PHE 273 N 1.57 0.62 -3.20 1.43 3.57 -1.91 -1.17 116.94 117.86 5cel h PHE 273 Ca 0.00 -0.41 -0.52 0.00 3.53 0.00 0.00 57.97 60.57 5cel h PHE 273 Cb 0.41 -0.04 -0.37 0.00 2.79 0.00 0.00 35.95 38.74 5cel h PHE 273 CO 0.03 1.29 -0.80 -0.47 -2.23 0.00 0.00 178.31 176.13 5cel s TYR 274 N -2.70 1.38 0.00 0.41 5.04 -1.26 -0.16 117.35 120.06 5cel s TYR 274 Ca -0.13 -0.66 0.00 0.00 -2.44 0.00 0.00 57.07 53.84 5cel s TYR 274 Cb 0.02 -1.17 0.00 0.00 0.35 0.00 0.00 41.96 41.16 5cel s TYR 274 CO 0.84 -0.48 0.00 0.41 -1.34 0.00 0.00 175.55 174.98 5cel n GLY 275 N 4.94 -0.08 3.69 8.97 0.00 -0.93 -4.79 105.19 116.98 5cel n GLY 275 Ca -0.12 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 5cel n GLY 275 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 5cel s PRO 276 N -2.00 4.41 0.00 1.61 0.04 -1.25 -0.59 135.00 137.22 5cel s PRO 276 Ca 0.00 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.56 5cel s PRO 276 Cb 0.00 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 31.01 5cel s PRO 276 CO 0.00 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.11 5cel n GLY 277 N 3.19 1.05 0.00 0.56 0.00 -1.26 -4.72 105.19 104.01 5cel n GLY 277 Ca 0.09 -2.08 0.09 0.00 0.00 0.00 0.00 46.02 44.13 5cel n GLY 277 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5cel n SER 278 N 0.00 0.00 -0.17 1.61 3.41 -1.26 -3.08 113.62 114.13 5cel n SER 278 Ca 0.00 0.02 0.15 0.00 -0.26 0.00 0.00 58.87 58.78 5cel n SER 278 Cb 0.00 -0.29 0.77 0.00 -0.26 0.00 0.00 64.21 64.43 5cel n SER 278 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 5cel n SER 279 N -1.29 0.52 -4.55 4.04 3.41 -1.26 -4.82 113.62 109.67 5cel n SER 279 Ca 0.09 -1.21 -0.29 0.00 -0.26 0.00 0.00 58.87 57.20 5cel n SER 279 Cb 0.15 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 5cel n SER 279 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 5cel s PHE 280 N -1.99 2.66 0.16 7.33 0.08 -1.18 -4.91 117.98 120.13 5cel s PHE 280 Ca 0.43 -0.20 -0.16 0.00 0.12 0.00 0.00 56.93 57.12 5cel s PHE 280 Cb 0.21 -1.38 0.06 0.00 -0.57 0.00 0.00 43.02 41.33 5cel s PHE 280 CO 0.35 0.43 1.77 1.15 -0.10 0.00 0.00 175.22 178.82 5cel h THR 281 N 3.26 0.96 -3.48 0.64 2.02 -0.94 -3.36 112.91 112.01 5cel h THR 281 Ca -0.49 -0.13 -0.67 0.00 0.77 0.00 0.00 66.41 65.90 5cel h THR 281 Cb 1.17 0.56 -0.29 0.00 -1.74 0.00 0.00 68.15 67.85 5cel h THR 281 CO 0.50 0.07 -0.71 -0.76 0.37 0.00 0.00 175.52 174.99 5cel s LEU 282 N -10.26 3.21 -0.51 2.58 1.43 0.77 -5.03 118.68 110.87 5cel s LEU 282 Ca -0.13 -0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 52.09 5cel s LEU 282 Cb 0.12 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.63 5cel s LEU 282 CO 0.72 -0.10 0.93 -0.62 0.23 0.00 0.00 176.35 177.51 5cel s ASP 283 N 1.43 6.42 0.00 2.29 -1.08 -1.26 -2.20 116.67 122.27 5cel s ASP 283 Ca 0.03 -0.12 0.16 0.00 -0.52 0.00 0.00 52.55 52.10 5cel s ASP 283 Cb -0.16 -2.44 0.93 0.00 -1.46 0.00 0.00 42.92 39.79 5cel s ASP 283 CO -0.02 -1.14 1.36 0.35 0.52 0.00 0.00 175.17 176.24 5cel n THR 284 N 6.31 0.00 1.31 1.71 -2.24 0.24 -1.98 114.28 119.63 5cel n THR 284 Ca 0.04 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.95 5cel n THR 284 Cb 0.48 -0.60 0.51 0.00 -2.10 0.00 0.00 70.33 68.62 5cel n THR 284 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 5cel n THR 285 N -0.90 0.00 -4.29 4.28 -2.24 -1.26 -2.61 114.28 107.26 5cel n THR 285 Ca 0.12 -0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 5cel n THR 285 Cb 0.05 0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.26 5cel n THR 285 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 5cel s LYS 286 N -2.53 1.15 0.56 -0.78 1.02 -0.84 -4.79 119.74 113.54 5cel s LYS 286 Ca 0.26 -1.31 -0.21 0.00 0.02 0.00 0.00 55.97 54.73 5cel s LYS 286 Cb 0.20 -1.16 -0.04 0.00 -0.52 0.00 0.00 37.83 36.31 5cel s LYS 286 CO 0.50 0.23 1.31 0.21 -0.92 0.00 0.00 175.35 176.69 5cel s LYS 287 N -2.64 3.05 0.07 1.68 2.20 -1.26 -4.77 119.74 118.07 5cel s LYS 287 Ca 0.12 2.12 -0.00 0.00 -0.36 0.00 0.00 55.97 57.85 5cel s LYS 287 Cb -0.06 -2.15 -0.04 0.00 -1.51 0.00 0.00 37.83 34.07 5cel s LYS 287 CO 0.05 -1.22 -0.04 -0.48 -0.36 0.00 0.00 175.35 173.30 5cel s LEU 288 N -3.71 2.47 -0.15 5.43 2.34 -0.73 -4.79 118.68 119.54 5cel s LEU 288 Ca 0.74 -1.01 -0.03 0.00 0.06 0.00 0.00 54.13 53.89 5cel s LEU 288 Cb -0.38 0.12 -0.03 0.00 -0.56 0.00 0.00 46.19 45.35 5cel s LEU 288 CO 0.43 -0.57 -0.04 -0.89 -1.06 0.00 0.00 176.35 174.23 5cel s THR 289 N -3.84 3.89 -0.17 5.48 2.01 -0.01 -1.14 115.64 121.86 5cel s THR 289 Ca 0.09 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.74 5cel s THR 289 Cb 0.07 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.90 5cel s THR 289 CO -0.08 0.50 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.47 5cel s VAL 290 N 0.25 2.20 -0.13 3.82 1.01 -0.13 -1.09 120.40 126.32 5cel s VAL 290 Ca -0.03 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.07 5cel s VAL 290 Cb -0.14 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.34 5cel s VAL 290 CO 0.03 0.53 -0.22 -0.69 0.00 0.00 0.00 175.10 174.75 5cel s VAL 291 N 1.10 2.11 -0.15 2.92 1.01 -0.20 -2.32 120.40 124.88 5cel s VAL 291 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.03 5cel s VAL 291 Cb -0.14 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.41 5cel s VAL 291 CO -0.08 0.55 -0.20 -0.89 0.00 0.00 0.00 175.10 174.48 5cel s THR 292 N 0.71 1.99 -0.11 3.92 2.01 -0.48 -1.78 115.64 121.90 5cel s THR 292 Ca -0.09 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 5cel s THR 292 Cb -0.16 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 5cel s THR 292 CO 0.00 0.53 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.29 5cel s GLN 293 N 1.03 3.22 -0.72 4.92 -0.21 0.19 -1.01 119.66 127.08 5cel s GLN 293 Ca -0.02 -0.57 -0.01 0.00 0.02 0.00 0.00 55.36 54.77 5cel s GLN 293 Cb -0.14 -2.71 0.18 0.00 1.00 0.00 0.00 33.01 31.34 5cel s GLN 293 CO -0.06 0.41 0.55 -0.06 -2.12 0.00 0.00 175.29 174.01 5cel s PHE 294 N -0.12 3.57 0.57 0.91 0.40 -0.38 -0.95 117.98 121.98 5cel s PHE 294 Ca 0.01 -2.92 -0.19 0.00 -0.60 0.00 0.00 56.93 53.23 5cel s PHE 294 Cb -0.13 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.21 5cel s PHE 294 CO 0.03 -0.77 1.15 -1.83 0.70 0.00 0.00 175.22 174.50 5cel s GLU 295 N -0.67 3.16 0.51 0.44 -1.05 -1.10 0.73 118.70 120.72 5cel s GLU 295 Ca 0.21 1.66 0.29 0.00 -0.15 0.00 0.00 54.97 56.98 5cel s GLU 295 Cb -0.15 -1.97 1.57 0.00 -0.44 0.00 0.00 34.13 33.14 5cel s GLU 295 CO -0.08 -1.02 1.86 1.79 0.95 0.00 0.00 175.26 178.77 5cel h THR 296 N 0.95 0.00 0.00 1.83 1.35 -1.93 -0.90 112.91 114.21 5cel h THR 296 Ca -0.50 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 5cel h THR 296 Cb 1.27 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 5cel h THR 296 CO 0.56 0.00 -0.02 0.77 -0.25 0.00 0.00 175.52 176.58 5cel h SER 297 N 0.00 0.00 0.00 5.36 4.64 -2.04 -3.46 113.55 118.06 5cel h SER 297 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5cel h SER 297 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 5cel h SER 297 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 5cel n GLY 298 N -0.17 0.70 3.86 -0.77 0.00 -0.34 -5.01 105.19 103.45 5cel n GLY 298 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 5cel n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5cel s ALA 299 N -2.00 3.14 -0.12 4.61 0.00 -1.25 -4.93 121.76 121.22 5cel s ALA 299 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.97 5cel s ALA 299 Cb 0.00 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 5cel s ALA 299 CO 0.00 -0.37 -0.21 0.42 0.00 0.00 0.00 175.76 175.61 5cel s ILE 300 N -2.79 2.33 0.23 0.00 1.01 0.14 -2.70 121.20 119.43 5cel s ILE 300 Ca 0.56 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 60.39 5cel s ILE 300 Cb -0.10 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 5cel s ILE 300 CO 0.40 0.55 -0.05 0.20 0.00 0.00 0.00 174.94 176.04 5cel s ASN 301 N 0.43 4.40 -0.13 3.58 0.01 -0.13 -0.98 114.94 122.13 5cel s ASN 301 Ca -0.15 -0.63 -0.18 0.00 -0.71 0.00 0.00 52.86 51.18 5cel s ASN 301 Cb -0.17 -0.78 0.04 0.00 0.41 0.00 0.00 41.25 40.75 5cel s ASN 301 CO 0.06 0.04 0.47 -0.60 -1.51 0.00 0.00 177.10 175.57 5cel s ARG 302 N -3.34 0.66 0.09 -0.60 6.06 -1.26 -0.64 118.95 119.91 5cel s ARG 302 Ca 0.29 0.43 -0.10 0.00 -2.50 0.00 0.00 55.73 53.85 5cel s ARG 302 Cb -0.07 0.31 0.01 0.00 0.06 0.00 0.00 34.95 35.25 5cel s ARG 302 CO 0.18 -0.13 0.23 1.52 -2.50 0.00 0.00 175.30 174.60 5cel s TYR 303 N -0.29 0.08 0.17 5.12 -0.85 -0.73 -0.89 117.35 119.96 5cel s TYR 303 Ca -0.04 -0.46 0.07 0.00 -0.52 0.00 0.00 57.07 56.11 5cel s TYR 303 Cb -0.03 -0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 5cel s TYR 303 CO 0.03 -0.56 -0.13 0.71 -1.52 0.00 0.00 175.55 174.08 5cel s TYR 304 N -3.68 1.55 -0.02 -3.49 1.51 0.12 -1.03 117.35 112.31 5cel s TYR 304 Ca 0.03 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 5cel s TYR 304 Cb 0.04 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 41.15 5cel s TYR 304 CO -0.10 0.25 0.01 0.08 -1.11 0.00 0.00 175.55 174.68 5cel s VAL 305 N -2.88 0.06 -0.14 0.71 1.01 -0.25 -0.66 120.40 118.25 5cel s VAL 305 Ca 0.18 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 5cel s VAL 305 Cb -0.01 -0.14 0.06 0.00 0.00 0.00 0.00 36.38 36.29 5cel s VAL 305 CO 0.05 0.08 0.32 -1.58 0.00 0.00 0.00 175.10 173.97 5cel s GLN 306 N 0.67 0.26 -1.74 2.72 0.74 -0.52 -0.83 119.66 120.96 5cel s GLN 306 Ca -0.06 0.71 -0.01 0.00 0.05 0.00 0.00 55.36 56.05 5cel s GLN 306 Cb -0.09 -0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.00 5cel s GLN 306 CO -0.02 -0.20 0.11 0.09 -0.55 0.00 0.00 175.29 174.72 5cel n ASN 307 N 4.60 -5.94 0.00 6.67 3.02 -1.26 -1.54 115.26 120.81 5cel n ASN 307 Ca -0.19 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 5cel n ASN 307 Cb 0.53 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 5cel n ASN 307 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 5cel n GLY 308 N -1.10 2.53 3.72 7.41 0.00 -1.26 -5.01 105.19 111.47 5cel n GLY 308 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 5cel n GLY 308 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5cel s VAL 309 N -2.72 5.09 -0.10 1.61 1.01 -0.59 -5.06 120.40 119.65 5cel s VAL 309 Ca 0.00 1.26 -0.10 0.00 0.00 0.00 0.00 61.98 63.13 5cel s VAL 309 Cb 0.00 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 5cel s VAL 309 CO 0.00 0.29 0.24 -0.89 0.00 0.00 0.00 175.10 174.73 5cel s THR 310 N 0.70 5.34 -0.08 3.92 2.01 -1.26 -1.44 115.64 124.82 5cel s THR 310 Ca 0.33 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.75 5cel s THR 310 Cb -0.17 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.84 5cel s THR 310 CO 0.15 0.57 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.28 5cel s PHE 311 N -0.75 0.79 0.91 4.92 0.08 0.16 -4.99 117.98 119.10 5cel s PHE 311 Ca 0.17 -0.26 -0.12 0.00 0.12 0.00 0.00 56.93 56.84 5cel s PHE 311 Cb -0.13 -0.87 0.14 0.00 -0.57 0.00 0.00 43.02 41.59 5cel s PHE 311 CO 0.06 -0.36 1.10 -1.14 -0.10 0.00 0.00 175.22 174.78 5cel s GLN 312 N 1.93 1.15 0.23 0.44 2.00 -1.26 0.13 119.66 124.29 5cel s GLN 312 Ca 0.05 0.65 -0.31 0.00 -2.00 0.00 0.00 55.36 53.74 5cel s GLN 312 Cb -0.12 -1.81 -0.12 0.00 0.80 0.00 0.00 33.01 31.76 5cel s GLN 312 CO -0.06 -2.27 1.70 0.94 -0.50 0.00 0.00 175.29 175.10 5cel n GLN 313 N -3.88 2.78 -1.74 1.67 -0.06 -0.07 -4.76 117.38 111.33 5cel n GLN 313 Ca 0.06 1.00 -0.39 0.00 -2.00 0.00 0.00 57.00 55.68 5cel n GLN 313 Cb 0.56 -2.83 0.04 0.00 -4.06 0.00 0.00 30.24 23.95 5cel n GLN 313 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 5cel n PRO 314 N 3.52 1.65 -2.11 3.69 -0.02 -1.26 -4.71 135.00 135.76 5cel n PRO 314 Ca 0.14 0.61 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 5cel n PRO 314 Cb 0.35 -2.55 0.01 0.00 -0.02 0.00 0.00 33.50 31.30 5cel n PRO 314 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 5cel s ASN 315 N -0.92 5.62 0.01 2.55 0.01 -1.26 -4.61 114.94 116.34 5cel s ASN 315 Ca 0.72 2.36 0.01 0.00 -0.71 0.00 0.00 52.86 55.24 5cel s ASN 315 Cb -0.42 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.63 5cel s ASN 315 CO 0.49 -1.30 -0.04 0.00 -1.51 0.00 0.00 177.10 174.74 5cel s ALA 316 N -1.58 0.26 -0.17 0.60 0.00 -0.14 -4.94 121.76 115.80 5cel s ALA 316 Ca 0.71 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.32 5cel s ALA 316 Cb -0.30 0.02 0.02 0.00 0.00 0.00 0.00 23.12 22.86 5cel s ALA 316 CO 0.34 -0.02 -0.19 -1.21 0.00 0.00 0.00 175.76 174.68 5cel s GLU 317 N -0.73 2.87 -0.21 0.00 2.02 -1.26 -1.68 118.70 119.70 5cel s GLU 317 Ca -0.06 -0.78 -0.04 0.00 0.02 0.00 0.00 54.97 54.11 5cel s GLU 317 Cb -0.05 -2.45 0.10 0.00 0.10 0.00 0.00 34.13 31.82 5cel s GLU 317 CO -0.00 -0.17 0.23 -1.17 0.02 0.00 0.00 175.26 174.16 5cel s LEU 318 N 1.22 -0.12 0.00 1.80 2.96 -0.27 -5.01 118.68 119.27 5cel s LEU 318 Ca 0.02 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 5cel s LEU 318 Cb -0.13 0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.95 5cel s LEU 318 CO -0.10 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.21 5cel n GLY 319 N 5.32 2.37 0.07 7.98 0.00 -1.26 -1.34 105.19 118.32 5cel n GLY 319 Ca -0.05 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.70 5cel n GLY 319 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5cel n SER 320 N 3.91 0.29 -4.78 1.61 3.41 -1.26 -4.86 113.62 111.94 5cel n SER 320 Ca 0.00 -0.45 -0.38 0.00 -0.26 0.00 0.00 58.87 57.78 5cel n SER 320 Cb 0.00 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 5cel n SER 320 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 5cel s TYR 321 N -2.49 3.81 -0.19 7.33 5.04 -0.45 -5.06 117.35 125.34 5cel s TYR 321 Ca 0.30 1.74 -0.09 0.00 -2.44 0.00 0.00 57.07 56.57 5cel s TYR 321 Cb 0.20 -2.86 0.08 0.00 0.35 0.00 0.00 41.96 39.72 5cel s TYR 321 CO 0.47 0.36 0.44 0.45 -1.34 0.00 0.00 175.55 175.93 5cel s SER 322 N -1.41 -0.47 0.00 4.32 0.15 -1.26 -1.11 113.70 113.93 5cel s SER 322 Ca 0.44 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.09 5cel s SER 322 Cb -0.21 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 5cel s SER 322 CO 0.26 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.10 5cel n GLY 323 N 4.75 0.05 0.00 9.45 0.00 -0.68 -4.97 105.19 113.79 5cel n GLY 323 Ca -0.17 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.22 5cel n GLY 323 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 5cel n ASN 324 N 2.84 1.29 -4.77 1.61 0.23 -1.26 -0.96 115.26 114.24 5cel n ASN 324 Ca 0.00 -1.58 -0.36 0.00 -0.53 0.00 0.00 54.58 52.11 5cel n ASN 324 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 5cel n ASN 324 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 5cel s GLU 325 N -0.58 4.06 -0.75 -3.83 2.12 -1.26 -4.69 118.70 113.76 5cel s GLU 325 Ca 0.00 0.03 -0.24 0.00 0.36 0.00 0.00 54.97 55.12 5cel s GLU 325 Cb 0.00 -3.36 0.06 0.00 0.26 0.00 0.00 34.13 31.09 5cel s GLU 325 CO 0.00 0.40 1.16 -1.17 -0.54 0.00 0.00 175.26 175.11 5cel s LEU 326 N 0.01 3.82 0.00 2.70 0.20 -0.15 -4.77 118.68 120.50 5cel s LEU 326 Ca 0.15 -0.90 0.04 0.00 0.69 0.00 0.00 54.13 54.12 5cel s LEU 326 Cb -0.13 -2.49 -0.01 0.00 -0.43 0.00 0.00 46.19 43.12 5cel s LEU 326 CO 0.04 -1.59 0.14 -0.46 -0.29 0.00 0.00 176.35 174.19 5cel n ASN 327 N 8.45 0.81 -0.19 3.68 0.23 -1.26 -0.68 115.26 126.30 5cel n ASN 327 Ca 0.05 -2.71 0.00 0.00 -0.53 0.00 0.00 54.58 51.40 5cel n ASN 327 Cb 0.48 0.91 0.10 0.00 -2.08 0.00 0.00 39.78 39.19 5cel n ASN 327 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 5cel h ASP 328 N 1.35 -0.21 -0.92 0.53 3.32 -1.94 -1.05 116.42 117.50 5cel h ASP 328 Ca -0.24 0.14 0.04 0.00 0.02 0.00 0.00 57.03 56.99 5cel h ASP 328 Cb 0.95 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 5cel h ASP 328 CO 0.37 -0.08 0.61 0.44 -1.72 0.00 0.00 179.24 178.85 5cel h ASP 329 N 0.14 1.00 0.21 6.45 3.32 -1.97 -1.00 116.42 124.58 5cel h ASP 329 Ca 0.31 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 5cel h ASP 329 Cb 0.49 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.81 5cel h ASP 329 CO -0.48 0.69 -0.10 0.22 -1.72 0.00 0.00 179.24 177.84 5cel h TYR 330 N 1.16 -0.26 -0.52 4.55 3.20 -1.52 -1.41 116.97 122.16 5cel h TYR 330 Ca 0.37 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 5cel h TYR 330 Cb 0.02 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 5cel h TYR 330 CO -0.00 0.03 0.31 0.00 -1.64 0.00 0.00 178.16 176.86 5cel h THR 332 N 0.72 1.29 -0.51 0.00 2.02 -1.19 -2.62 112.91 112.62 5cel h THR 332 Ca 0.19 -1.81 -0.10 0.00 0.77 0.00 0.00 66.41 65.46 5cel h THR 332 Cb -0.02 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 5cel h THR 332 CO -0.04 0.57 -0.08 0.00 0.37 0.00 0.00 175.52 176.35 5cel h ALA 333 N 0.60 0.89 -0.31 6.16 0.00 -0.75 -2.15 119.26 123.70 5cel h ALA 333 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 5cel h ALA 333 Cb 1.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 5cel h ALA 333 CO 0.13 0.64 0.13 1.49 0.00 0.00 0.00 179.25 181.64 5cel h GLU 334 N 0.84 0.46 -0.37 0.00 4.81 -0.79 0.44 114.58 119.97 5cel h GLU 334 Ca 0.14 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 5cel h GLU 334 Cb 0.61 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 5cel h GLU 334 CO 0.04 0.47 0.02 0.93 -0.73 0.00 0.00 179.01 179.74 5cel h GLU 335 N 0.36 0.57 -0.35 1.92 5.08 -1.40 0.51 114.58 121.27 5cel h GLU 335 Ca 0.10 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 5cel h GLU 335 Cb 0.18 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 5cel h GLU 335 CO -0.01 0.58 -0.43 0.00 -1.00 0.00 0.00 179.01 178.16 5cel h ALA 336 N 1.48 0.57 0.01 3.43 0.00 -0.98 0.39 119.26 124.17 5cel h ALA 336 Ca 0.12 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 5cel h ALA 336 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 5cel h ALA 336 CO 0.01 0.68 -0.61 0.93 0.00 0.00 0.00 179.25 180.26 5cel h GLU 337 N 0.72 0.02 0.00 0.00 4.39 -0.54 -3.38 114.58 115.78 5cel h GLU 337 Ca 0.05 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 5cel h GLU 337 Cb 1.02 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 5cel h GLU 337 CO 0.10 1.02 -0.77 0.74 -1.16 0.00 0.00 179.01 178.94 5cel h PHE 338 N -0.95 0.00 0.00 4.33 0.04 -0.13 -3.45 116.94 116.79 5cel h PHE 338 Ca -0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.61 5cel h PHE 338 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 5cel h PHE 338 CO 0.20 0.14 0.00 0.41 -0.60 0.00 0.00 178.31 178.46 5cel n GLY 339 N 1.20 1.40 0.00 -1.45 0.00 0.13 -4.97 105.19 101.50 5cel n GLY 339 Ca -0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 5cel n GLY 339 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5cel n GLY 340 N 1.74 1.49 0.00 -0.02 0.00 -1.25 -4.54 105.19 102.62 5cel n GLY 340 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 5cel n GLY 340 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5cel n SER 341 N -0.22 0.00 0.01 1.61 3.41 -1.26 -4.75 113.62 112.42 5cel n SER 341 Ca 0.00 -1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 57.51 5cel n SER 341 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 5cel n SER 341 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 5cel h SER 342 N 0.00 -0.52 -0.28 4.04 0.87 -1.98 0.14 113.55 115.82 5cel h SER 342 Ca 0.00 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.69 5cel h SER 342 Cb 0.88 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 5cel h SER 342 CO 0.00 -0.22 0.06 0.15 -0.53 0.00 0.00 176.83 176.29 5cel h PHE 343 N -0.23 0.10 -0.04 2.24 3.57 -1.93 -1.68 116.94 118.98 5cel h PHE 343 Ca 0.09 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 5cel h PHE 343 Cb 0.35 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 5cel h PHE 343 CO -0.27 0.03 -0.67 0.66 -2.23 0.00 0.00 178.31 175.83 5cel h SER 344 N 0.17 0.22 -0.20 0.41 4.64 -1.90 0.05 113.55 116.95 5cel h SER 344 Ca 0.13 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 5cel h SER 344 Cb 0.13 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 5cel h SER 344 CO -0.16 0.83 0.02 0.44 -0.87 0.00 0.00 176.83 177.08 5cel h ASP 345 N 0.13 0.41 -0.30 4.97 3.32 -0.33 -1.96 116.42 122.66 5cel h ASP 345 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.97 5cel h ASP 345 Cb 1.20 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.64 5cel h ASP 345 CO 0.10 0.46 0.00 0.29 -1.72 0.00 0.00 179.24 178.37 5cel n LYS 346 N -4.32 1.95 0.00 3.56 4.01 -0.67 -4.90 118.16 117.79 5cel n LYS 346 Ca 0.01 -1.20 0.00 0.00 -0.51 0.00 0.00 58.31 56.62 5cel n LYS 346 Cb 0.21 -1.38 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 5cel n LYS 346 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 5cel n GLY 347 N 0.84 0.25 7.00 0.72 0.00 -0.73 -4.39 105.19 108.88 5cel n GLY 347 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 5cel n GLY 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5cel n GLY 348 N -1.92 0.85 0.23 -0.02 0.00 -0.00 -2.48 105.19 101.84 5cel n GLY 348 Ca 0.00 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.43 5cel n GLY 348 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 5cel h LEU 349 N 0.00 0.00 -0.22 0.99 3.38 -1.93 -0.90 115.31 116.63 5cel h LEU 349 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 5cel h LEU 349 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 5cel h LEU 349 CO 0.00 0.23 -0.00 0.74 0.09 0.00 0.00 178.44 179.50 5cel h THR 350 N 0.00 1.26 -0.42 0.22 2.02 -1.92 0.64 112.91 114.70 5cel h THR 350 Ca -0.00 -0.90 -0.13 0.00 0.77 0.00 0.00 66.41 66.15 5cel h THR 350 Cb 0.54 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 5cel h THR 350 CO 0.03 0.28 -0.25 -0.61 0.37 0.00 0.00 175.52 175.33 5cel h GLN 351 N 0.15 0.88 0.00 6.66 5.75 -1.27 -2.74 115.11 124.54 5cel h GLN 351 Ca 0.06 -0.38 -0.04 0.00 -0.15 0.00 0.00 58.65 58.13 5cel h GLN 351 Cb 0.41 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 5cel h GLN 351 CO 0.01 1.03 -0.20 0.35 -2.65 0.00 0.00 178.83 177.37 5cel h PHE 352 N 0.76 0.00 0.00 3.99 3.57 -0.94 -2.08 116.94 122.24 5cel h PHE 352 Ca 0.09 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 5cel h PHE 352 Cb 0.81 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 5cel h PHE 352 CO 0.05 0.20 -0.17 -0.22 -2.23 0.00 0.00 178.31 175.94 5cel h LYS 353 N 0.00 0.00 0.00 1.11 3.64 -0.55 -1.53 116.57 119.24 5cel h LYS 353 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 5cel h LYS 353 Cb 0.37 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 5cel h LYS 353 CO 0.03 0.17 -0.13 0.87 -2.27 0.00 0.00 179.45 178.12 5cel h LYS 354 N 0.00 0.00 0.13 1.90 1.57 -1.41 -0.82 116.57 117.93 5cel h LYS 354 Ca -0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 5cel h LYS 354 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.64 5cel h LYS 354 CO 0.02 0.13 -1.14 0.00 -0.57 0.00 0.00 179.45 177.89 5cel h ALA 355 N 1.87 0.05 0.00 3.86 0.00 -1.39 -3.30 119.26 120.35 5cel h ALA 355 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 5cel h ALA 355 Cb 0.30 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.40 5cel h ALA 355 CO 0.02 0.62 0.00 1.79 0.00 0.00 0.00 179.25 181.67 5cel h THR 356 N -0.35 0.00 0.00 0.00 1.35 -1.24 -2.41 112.91 110.27 5cel h THR 356 Ca -0.23 -0.42 -0.07 0.00 -0.55 0.00 0.00 66.41 65.14 5cel h THR 356 Cb 1.70 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 69.42 5cel h THR 356 CO 0.10 0.00 -0.34 0.28 -0.25 0.00 0.00 175.52 175.31 5cel h SER 357 N 0.00 0.00 -3.96 5.36 0.02 -1.25 -0.82 113.55 112.91 5cel h SER 357 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 5cel h SER 357 Cb 0.49 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 5cel h SER 357 CO 0.00 0.34 -0.01 0.61 -1.14 0.00 0.00 176.83 176.63 5cel n GLY 358 N 0.81 2.41 3.81 -3.77 0.00 -0.91 -4.93 105.19 102.62 5cel n GLY 358 Ca 0.02 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 5cel n GLY 358 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 5cel s GLY 359 N -1.97 2.59 0.01 -0.02 0.00 -1.26 -4.31 107.32 102.36 5cel s GLY 359 Ca 0.03 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.03 5cel s GLY 359 CO 0.02 0.62 -0.02 1.06 0.00 0.00 0.00 173.10 174.78 5cel s MET 360 N -2.31 0.18 -0.01 2.90 -1.94 0.13 -4.65 119.30 113.60 5cel s MET 360 Ca 0.49 -0.25 -0.17 0.00 -1.71 0.00 0.00 55.69 54.05 5cel s MET 360 Cb -0.15 -0.04 -0.06 0.00 2.01 0.00 0.00 34.83 36.59 5cel s MET 360 CO 0.20 0.00 0.46 0.08 -0.01 0.00 0.00 175.02 175.76 5cel s VAL 361 N -0.53 4.99 -0.03 -6.03 1.01 0.20 -0.44 120.40 119.57 5cel s VAL 361 Ca -0.05 0.96 -0.28 0.00 0.00 0.00 0.00 61.98 62.60 5cel s VAL 361 Cb -0.04 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 5cel s VAL 361 CO -0.00 0.52 0.92 -0.22 0.00 0.00 0.00 175.10 176.32 5cel s LEU 362 N -0.75 4.34 -0.07 3.92 2.96 -1.26 -2.01 118.68 125.82 5cel s LEU 362 Ca 0.25 1.53 0.04 0.00 -0.22 0.00 0.00 54.13 55.74 5cel s LEU 362 Cb -0.17 -3.45 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 5cel s LEU 362 CO 0.14 -0.25 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.03 5cel s VAL 363 N 1.08 1.71 -0.08 1.68 1.01 0.10 -2.11 120.40 123.79 5cel s VAL 363 Ca 0.48 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.63 5cel s VAL 363 Cb -0.20 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.71 5cel s VAL 363 CO 0.25 0.48 -0.13 -0.04 0.00 0.00 0.00 175.10 175.66 5cel s MET 364 N 0.18 1.83 0.26 2.72 -1.94 -0.48 -0.94 119.30 120.94 5cel s MET 364 Ca -0.10 -0.45 -0.04 0.00 -1.71 0.00 0.00 55.69 53.39 5cel s MET 364 Cb -0.15 -1.54 -0.02 0.00 2.01 0.00 0.00 34.83 35.13 5cel s MET 364 CO 0.05 -0.00 0.34 -1.54 -0.01 0.00 0.00 175.02 173.85 5cel s SER 365 N 0.79 0.40 -0.12 3.03 1.04 0.60 -0.78 113.70 118.65 5cel s SER 365 Ca -0.12 -1.30 -0.05 0.00 0.48 0.00 0.00 55.95 54.97 5cel s SER 365 Cb -0.15 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.56 5cel s SER 365 CO 0.02 -1.07 0.24 -0.22 0.98 0.00 0.00 173.24 173.20 5cel s LEU 366 N -3.15 -0.23 0.14 2.42 2.96 -0.80 -1.36 118.68 118.66 5cel s LEU 366 Ca 0.32 0.54 -0.16 0.00 -0.22 0.00 0.00 54.13 54.61 5cel s LEU 366 Cb 0.02 0.62 0.03 0.00 0.50 0.00 0.00 46.19 47.37 5cel s LEU 366 CO 0.14 -0.24 0.42 -1.66 -1.32 0.00 0.00 176.35 173.70 5cel s TRP 367 N 2.34 -0.17 0.32 5.38 1.48 -0.81 -2.54 118.94 124.94 5cel s TRP 367 Ca 0.01 -0.15 0.09 0.00 -1.06 0.00 0.00 56.10 54.99 5cel s TRP 367 Cb -0.12 0.28 -0.05 0.00 -1.16 0.00 0.00 33.47 32.42 5cel s TRP 367 CO -0.08 -0.75 0.01 0.16 -4.06 0.00 0.00 176.95 172.23 5cel s ASP 368 N -2.82 4.28 -0.47 -2.66 -4.77 -1.26 -1.88 116.67 107.09 5cel s ASP 368 Ca 0.05 -0.89 -0.13 0.00 -3.30 0.00 0.00 52.55 48.28 5cel s ASP 368 Cb 0.01 -0.61 0.09 0.00 -1.09 0.00 0.00 42.92 41.33 5cel s ASP 368 CO -0.10 -0.17 0.36 -0.62 0.70 0.00 0.00 175.17 175.34 5cel s ASP 369 N -3.71 5.93 0.00 2.11 2.15 -1.26 -4.94 116.67 116.96 5cel s ASP 369 Ca 0.34 -1.53 0.30 0.00 0.43 0.00 0.00 52.55 52.09 5cel s ASP 369 Cb -0.02 -2.10 1.63 0.00 -0.30 0.00 0.00 42.92 42.13 5cel s ASP 369 CO 0.20 -0.65 2.08 -1.22 -0.17 0.00 0.00 175.17 175.41 5cel n TYR 370 N 5.08 0.00 -0.06 -5.34 4.02 -1.26 -1.66 117.16 117.94 5cel n TYR 370 Ca -0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.72 5cel n TYR 370 Cb 0.42 -0.17 -0.09 0.00 -0.02 0.00 0.00 39.34 39.49 5cel n TYR 370 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 5cel n TYR 371 N -1.17 0.00 -1.43 -0.72 4.02 -1.26 -4.84 117.16 111.76 5cel n TYR 371 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 5cel n TYR 371 Cb 0.18 -0.57 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 5cel n TYR 371 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 5cel n ALA 372 N -2.48 1.27 -2.11 -0.72 0.00 -1.25 -5.03 120.51 110.19 5cel n ALA 372 Ca -0.19 -0.49 -0.15 0.00 0.00 0.00 0.00 53.44 52.61 5cel n ALA 372 Cb 0.86 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 20.19 5cel n ALA 372 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 5cel n ASN 373 N 0.00 -4.35 -0.68 0.00 5.03 -0.67 -1.98 115.26 112.62 5cel n ASN 373 Ca 0.00 0.21 -0.09 0.00 0.87 0.00 0.00 54.58 55.57 5cel n ASN 373 Cb 0.54 -3.76 -0.04 0.00 -1.02 0.00 0.00 39.78 35.50 5cel n ASN 373 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 5cel n MET 374 N -2.59 -1.39 -0.02 3.52 1.56 -1.26 -4.30 117.12 112.64 5cel n MET 374 Ca -0.17 0.77 -0.01 0.00 -0.27 0.00 0.00 57.70 58.02 5cel n MET 374 Cb 0.59 -4.99 0.27 0.00 2.15 0.00 0.00 33.22 31.24 5cel n MET 374 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 5cel h LEU 375 N 0.00 0.55 -2.73 -0.89 3.38 -1.73 -1.84 115.31 112.05 5cel h LEU 375 Ca -0.18 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 5cel h LEU 375 Cb 0.97 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 5cel h LEU 375 CO 0.27 0.62 -0.00 4.11 0.09 0.00 0.00 178.44 183.52 5cel h TRP 376 N 0.55 0.00 0.00 1.13 5.08 -1.88 -2.04 115.95 118.79 5cel h TRP 376 Ca 0.12 0.00 -0.43 0.00 1.08 0.00 0.00 58.89 59.65 5cel h TRP 376 Cb 0.36 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.45 5cel h TRP 376 CO 0.01 0.00 -2.44 -0.11 -1.28 0.00 0.00 178.44 174.63 5cel n LEU 377 N -3.11 2.22 -0.03 0.11 7.94 -0.75 -4.81 117.00 118.56 5cel n LEU 377 Ca -0.02 0.23 0.01 0.00 -1.11 0.00 0.00 56.01 55.11 5cel n LEU 377 Cb 0.11 -0.86 0.01 0.00 0.53 0.00 0.00 43.42 43.21 5cel n LEU 377 CO 0.21 0.65 0.51 -0.90 -1.11 0.00 0.00 177.39 176.76 5cel n ASP 378 N -4.01 2.06 0.00 1.96 5.68 -0.87 -4.30 116.55 117.07 5cel n ASP 378 Ca -0.51 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 51.74 5cel n ASP 378 Cb 0.90 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 5cel n ASP 378 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 5cel n SER 379 N -0.49 0.13 -4.66 -1.12 2.88 -0.77 -0.59 113.62 109.00 5cel n SER 379 Ca 0.01 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.20 5cel n SER 379 Cb 0.27 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.64 5cel n SER 379 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 5cel s THR 380 N 0.19 5.11 -0.10 2.46 2.01 -1.26 -0.59 115.64 123.46 5cel s THR 380 Ca 0.00 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 5cel s THR 380 Cb 0.00 -3.34 0.05 0.00 0.01 0.00 0.00 72.50 69.22 5cel s THR 380 CO 0.00 0.42 0.22 -0.47 -0.69 0.00 0.00 174.62 174.10 5cel s TYR 381 N 0.61 -0.30 0.78 4.92 5.04 -0.20 -3.56 117.35 124.65 5cel s TYR 381 Ca 0.06 0.74 -0.14 0.00 -2.44 0.00 0.00 57.07 55.29 5cel s TYR 381 Cb -0.12 -0.02 0.07 0.00 0.35 0.00 0.00 41.96 42.24 5cel s TYR 381 CO 0.01 -0.24 1.20 -2.14 -1.34 0.00 0.00 175.55 173.03 5cel s PRO 382 N 1.52 1.81 0.63 4.97 0.02 -1.26 -4.57 135.00 138.11 5cel s PRO 382 Ca -0.07 1.72 0.40 0.00 0.02 0.00 0.00 61.00 63.08 5cel s PRO 382 Cb -0.11 -1.80 2.10 0.00 0.02 0.00 0.00 34.50 34.71 5cel s PRO 382 CO -0.08 -2.08 2.26 1.79 -0.33 0.00 0.00 177.00 178.56 5cel h THR 383 N -0.75 0.06 0.00 0.99 1.35 -1.96 -2.19 112.91 110.41 5cel h THR 383 Ca -0.46 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 5cel h THR 383 Cb 1.29 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 5cel h THR 383 CO 0.47 0.01 -0.18 -0.46 -0.25 0.00 0.00 175.52 175.11 5cel n ASN 384 N -3.16 0.37 -4.86 5.36 6.94 -1.26 -4.89 115.26 113.77 5cel n ASN 384 Ca -0.02 0.32 -0.30 0.00 -0.02 0.00 0.00 54.58 54.56 5cel n ASN 384 Cb 0.14 -0.33 0.08 0.00 -2.36 0.00 0.00 39.78 37.31 5cel n ASN 384 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 5cel s GLU 385 N -3.04 2.20 0.43 -3.83 0.41 -0.82 -5.10 118.70 108.95 5cel s GLU 385 Ca 0.12 0.36 0.04 0.00 -0.41 0.00 0.00 54.97 55.08 5cel s GLU 385 Cb 0.16 -1.95 -0.04 0.00 -1.78 0.00 0.00 34.13 30.52 5cel s GLU 385 CO 0.60 -1.48 0.04 0.95 -0.49 0.00 0.00 175.26 174.88 5cel s THR 386 N -3.38 1.28 0.33 3.63 -4.23 -1.26 -4.95 115.64 107.06 5cel s THR 386 Ca 0.61 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.48 5cel s THR 386 Cb -0.12 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.56 5cel s THR 386 CO 0.52 0.00 2.12 0.77 -0.54 0.00 0.00 174.62 177.48 5cel h SER 387 N 1.68 0.00 1.22 3.99 4.64 -1.98 -0.90 113.55 122.19 5cel h SER 387 Ca -0.42 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 5cel h SER 387 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 5cel h SER 387 CO 0.72 0.00 -0.26 0.77 -0.87 0.00 0.00 176.83 177.19 5cel h SER 388 N 0.00 0.00 -3.04 4.97 4.64 -2.03 -3.42 113.55 114.66 5cel h SER 388 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 5cel h SER 388 Cb 0.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 5cel h SER 388 CO 0.00 0.26 0.83 -0.89 -0.87 0.00 0.00 176.83 176.16 5cel s THR 389 N -3.41 4.55 -0.06 2.95 2.01 -0.34 -4.96 115.64 116.38 5cel s THR 389 Ca 0.02 1.87 -0.35 0.00 0.31 0.00 0.00 61.69 63.55 5cel s THR 389 Cb 0.09 -4.23 -0.12 0.00 0.01 0.00 0.00 72.50 68.25 5cel s THR 389 CO 0.67 -0.18 1.82 -2.65 -0.69 0.00 0.00 174.62 173.58 5cel n PRO 390 N 6.44 2.10 -0.76 4.92 -0.02 -1.26 -1.95 135.00 144.47 5cel n PRO 390 Ca 0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 5cel n PRO 390 Cb 0.46 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 5cel n PRO 390 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5cel n GLY 391 N 4.23 1.33 0.20 -1.23 0.00 -1.26 -4.66 105.19 103.80 5cel n GLY 391 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 5cel n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5cel h ALA 392 N 0.00 0.56 -2.25 4.61 0.00 -1.64 -3.41 119.26 117.13 5cel h ALA 392 Ca 0.00 -0.14 -0.61 0.00 0.00 0.00 0.00 54.91 54.16 5cel h ALA 392 Cb 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.51 5cel h ALA 392 CO 0.00 0.16 0.32 0.08 0.00 0.00 0.00 179.25 179.81 5cel s VAL 393 N -5.58 4.80 -0.47 0.00 1.01 -1.26 -1.03 120.40 117.87 5cel s VAL 393 Ca -0.13 0.96 0.08 0.00 0.00 0.00 0.00 61.98 62.89 5cel s VAL 393 Cb 0.11 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 5cel s VAL 393 CO 0.76 -0.30 0.39 0.54 0.00 0.00 0.00 175.10 176.49 5cel n ARG 394 N 6.21 3.87 -3.85 2.72 3.00 0.25 -4.11 116.66 124.75 5cel n ARG 394 Ca 0.02 -0.13 -0.01 0.00 -0.01 0.00 0.00 57.85 57.73 5cel n ARG 394 Cb 0.48 -0.91 0.01 0.00 0.00 0.00 0.00 32.46 32.04 5cel n ARG 394 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 5cel s GLY 395 N -1.63 -0.09 0.00 -0.13 0.00 -1.11 -4.21 107.32 100.15 5cel s GLY 395 Ca 0.04 0.00 0.21 0.00 0.00 0.00 0.00 44.72 44.98 5cel s GLY 395 CO 0.30 2.67 1.50 -1.14 0.00 0.00 0.00 173.10 176.43 5cel n SER 396 N -0.96 2.19 -4.77 1.64 3.41 -1.09 -4.14 113.62 109.90 5cel n SER 396 Ca -0.02 -1.80 -0.37 0.00 -0.26 0.00 0.00 58.87 56.42 5cel n SER 396 Cb 0.60 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 5cel n SER 396 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5cel s SER 398 N -1.37 5.35 0.00 0.00 0.15 -1.26 -4.35 113.70 112.21 5cel s SER 398 Ca 0.62 2.49 0.12 0.00 0.70 0.00 0.00 55.95 59.87 5cel s SER 398 Cb -0.28 -2.61 0.55 0.00 -1.71 0.00 0.00 66.02 61.97 5cel s SER 398 CO 0.34 -1.49 1.33 0.35 1.20 0.00 0.00 173.24 174.97 5cel n THR 399 N -1.26 0.94 1.11 6.45 -2.24 -1.26 -1.55 114.28 116.48 5cel n THR 399 Ca 0.12 0.24 0.12 0.00 -2.27 0.00 0.00 64.05 62.25 5cel n THR 399 Cb 0.48 -1.04 0.17 0.00 -2.10 0.00 0.00 70.33 67.84 5cel n THR 399 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 5cel n SER 400 N -1.39 2.14 -4.87 3.42 3.41 -1.26 -4.98 113.62 110.09 5cel n SER 400 Ca 0.04 -1.59 -0.30 0.00 -0.26 0.00 0.00 58.87 56.76 5cel n SER 400 Cb 0.11 0.18 0.05 0.00 -0.26 0.00 0.00 64.21 64.30 5cel n SER 400 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 5cel s SER 401 N -2.24 5.27 0.00 4.04 1.04 -0.60 -4.46 113.70 116.75 5cel s SER 401 Ca 0.26 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.87 5cel s SER 401 Cb 0.19 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.34 5cel s SER 401 CO 0.43 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.80 5cel n GLY 402 N -2.80 0.56 3.66 7.32 0.00 -1.26 -4.85 105.19 107.82 5cel n GLY 402 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 5cel n GLY 402 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5cel s VAL 403 N -2.16 3.22 0.18 1.61 1.01 -1.26 -4.57 120.40 118.42 5cel s VAL 403 Ca 0.00 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 5cel s VAL 403 Cb 0.00 -3.17 0.08 0.00 0.00 0.00 0.00 36.38 33.29 5cel s VAL 403 CO 0.00 -0.03 1.57 -0.65 0.00 0.00 0.00 175.10 175.99 5cel h PRO 404 N 10.39 -0.17 -0.59 2.72 0.11 -1.95 -0.60 132.00 141.91 5cel h PRO 404 Ca -0.46 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.71 5cel h PRO 404 Cb 1.22 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 5cel h PRO 404 CO 0.95 -0.11 0.39 0.00 -0.21 0.00 0.00 178.00 179.01 5cel h ALA 405 N 0.80 1.73 -0.04 -0.75 0.00 -1.94 -1.24 119.26 117.82 5cel h ALA 405 Ca 0.21 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 5cel h ALA 405 Cb 0.56 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.18 5cel h ALA 405 CO -0.72 0.19 -0.34 0.37 0.00 0.00 0.00 179.25 178.76 5cel h GLN 406 N 0.65 0.30 -0.11 0.00 4.15 -1.61 -2.68 115.11 115.80 5cel h GLN 406 Ca 0.24 -0.27 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 5cel h GLN 406 Cb 0.14 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 5cel h GLN 406 CO -0.07 0.93 -0.39 -0.39 -1.93 0.00 0.00 178.83 176.99 5cel h VAL 407 N -0.25 1.30 -0.16 2.39 -1.51 -0.97 0.14 116.25 117.20 5cel h VAL 407 Ca -0.03 -1.46 -0.12 0.00 -1.23 0.00 0.00 66.70 63.85 5cel h VAL 407 Cb 1.02 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 5cel h VAL 407 CO 0.07 0.44 -0.44 -0.33 -1.23 0.00 0.00 177.57 176.08 5cel h GLU 408 N 0.21 0.38 0.16 5.19 5.08 -1.30 0.30 114.58 124.61 5cel h GLU 408 Ca 0.02 -0.20 -0.31 0.00 -1.00 0.00 0.00 59.36 57.87 5cel h GLU 408 Cb 0.78 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.07 5cel h GLU 408 CO 0.06 0.75 -1.32 1.03 -1.00 0.00 0.00 179.01 178.53 5cel h SER 409 N 0.31 0.83 0.58 1.42 0.87 -1.11 -3.16 113.55 113.29 5cel h SER 409 Ca 0.02 -0.81 -0.28 0.00 -1.23 0.00 0.00 61.79 59.49 5cel h SER 409 Cb 0.90 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 5cel h SER 409 CO 0.08 1.62 -1.44 1.56 -0.53 0.00 0.00 176.83 178.11 5cel h GLN 410 N 0.22 0.15 -1.63 2.24 4.20 -0.67 -3.40 115.11 116.22 5cel h GLN 410 Ca -0.21 -0.25 -0.51 0.00 0.06 0.00 0.00 58.65 57.74 5cel h GLN 410 Cb 2.00 0.09 -0.41 0.00 0.30 0.00 0.00 27.48 29.46 5cel h GLN 410 CO 0.25 0.98 -0.91 0.43 -0.67 0.00 0.00 178.83 178.91 5cel n SER 411 N -3.36 3.16 0.25 1.46 7.64 0.11 -4.89 113.62 117.99 5cel n SER 411 Ca -0.13 -3.33 0.08 0.00 1.01 0.00 0.00 58.87 56.51 5cel n SER 411 Cb 1.02 -0.53 0.63 0.00 -1.01 0.00 0.00 64.21 64.32 5cel n SER 411 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 5cel h PRO 412 N 2.85 0.00 -0.39 1.43 0.13 -1.68 -2.12 132.00 132.22 5cel h PRO 412 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 5cel h PRO 412 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 5cel h PRO 412 CO 0.69 0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 5cel n ASN 413 N -4.20 1.79 -4.73 1.44 3.02 -1.26 -1.47 115.26 109.84 5cel n ASN 413 Ca -0.03 -2.06 -0.32 0.00 -0.03 0.00 0.00 54.58 52.14 5cel n ASN 413 Cb 0.18 -0.26 0.10 0.00 -0.61 0.00 0.00 39.78 39.19 5cel n ASN 413 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 5cel s ALA 414 N -1.62 2.07 0.15 5.41 0.00 -0.80 -4.80 121.76 122.17 5cel s ALA 414 Ca 0.20 0.57 -0.25 0.00 0.00 0.00 0.00 51.96 52.48 5cel s ALA 414 Cb 0.11 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.92 5cel s ALA 414 CO 0.12 -1.94 0.91 -1.59 0.00 0.00 0.00 175.76 173.26 5cel s LYS 415 N -4.41 1.23 0.00 0.00 -2.85 -1.16 -0.43 119.74 112.13 5cel s LYS 415 Ca 0.67 -0.65 0.01 0.00 -1.00 0.00 0.00 55.97 55.00 5cel s LYS 415 Cb -0.22 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 35.98 5cel s LYS 415 CO 0.51 -0.56 -0.05 0.54 0.10 0.00 0.00 175.35 175.89 5cel s VAL 416 N -3.37 0.35 -0.17 1.79 0.11 -0.82 -4.22 120.40 114.06 5cel s VAL 416 Ca 0.11 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 5cel s VAL 416 Cb -0.02 -0.31 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 5cel s VAL 416 CO 0.01 0.04 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.85 5cel s THR 417 N -0.24 1.37 -0.12 5.04 2.01 -1.18 -1.41 115.64 121.11 5cel s THR 417 Ca 0.00 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 5cel s THR 417 Cb -0.03 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 5cel s THR 417 CO -0.00 0.22 0.10 -0.36 -0.69 0.00 0.00 174.62 173.89 5cel s PHE 418 N 1.53 3.47 0.24 4.92 0.08 -0.07 -1.59 117.98 126.56 5cel s PHE 418 Ca 0.01 0.42 -0.18 0.00 0.12 0.00 0.00 56.93 57.30 5cel s PHE 418 Cb -0.15 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 5cel s PHE 418 CO -0.08 0.62 0.60 -1.54 -0.10 0.00 0.00 175.22 174.72 5cel s SER 419 N -0.85 -0.24 -1.38 1.36 1.04 -0.11 -0.30 113.70 113.21 5cel s SER 419 Ca 0.14 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 5cel s SER 419 Cb -0.12 0.65 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 5cel s SER 419 CO 0.03 -1.20 0.47 -3.20 0.98 0.00 0.00 173.24 170.32 5cel n ASN 420 N -0.40 -0.70 -4.72 7.02 5.15 -0.83 -0.31 115.26 120.46 5cel n ASN 420 Ca -0.06 -0.99 -0.42 0.00 -0.60 0.00 0.00 54.58 52.52 5cel n ASN 420 Cb 0.61 -3.18 -0.03 0.00 -0.53 0.00 0.00 39.78 36.65 5cel n ASN 420 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 5cel s ILE 421 N -3.90 3.22 -0.01 -1.44 1.01 -1.26 -4.22 121.20 114.60 5cel s ILE 421 Ca 0.03 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.60 5cel s ILE 421 Cb -0.01 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.89 5cel s ILE 421 CO 0.88 0.10 0.01 -0.54 0.00 0.00 0.00 174.94 175.38 5cel s LYS 422 N 0.66 0.03 0.01 2.79 1.02 0.19 -0.87 119.74 123.56 5cel s LYS 422 Ca 0.62 0.08 0.02 0.00 0.02 0.00 0.00 55.97 56.71 5cel s LYS 422 Cb -0.37 -0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 36.76 5cel s LYS 422 CO 0.33 -0.08 -0.06 0.12 -0.92 0.00 0.00 175.35 174.74 5cel s PHE 423 N 0.56 0.52 -2.02 3.18 5.36 -0.03 -0.44 117.98 125.11 5cel s PHE 423 Ca -0.05 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 5cel s PHE 423 Cb -0.07 -0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.28 5cel s PHE 423 CO -0.01 -0.03 0.00 0.41 -1.46 0.00 0.00 175.22 174.13 5cel n GLY 424 N 2.60 -1.60 3.64 13.12 0.00 -1.00 -0.19 105.19 121.77 5cel n GLY 424 Ca -0.15 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 5cel n GLY 424 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 5cel n PRO 425 N -0.22 0.54 -1.66 1.61 -0.02 -1.26 -0.54 135.00 133.46 5cel n PRO 425 Ca 0.00 0.24 -0.47 0.00 -2.02 0.00 0.00 63.50 61.25 5cel n PRO 425 Cb 0.00 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.13 5cel n PRO 425 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 5cel n ILE 426 N -2.55 0.02 -0.51 4.25 5.41 -1.18 -1.59 119.36 123.21 5cel n ILE 426 Ca 0.14 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 5cel n ILE 426 Cb 0.49 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 5cel n ILE 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 5cel n GLY 427 N 3.31 0.75 0.06 7.39 0.00 -1.26 -4.95 105.19 110.48 5cel n GLY 427 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 5cel n GLY 427 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5cel n SER 428 N 0.00 1.06 0.04 1.61 3.41 -0.62 -4.60 113.62 114.52 5cel n SER 428 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 5cel n SER 428 Cb 0.00 1.15 0.29 0.00 -0.26 0.00 0.00 64.21 65.39 5cel n SER 428 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 5cel n THR 429 N -2.45 1.22 1.18 6.66 -2.24 -1.26 -2.02 114.28 115.36 5cel n THR 429 Ca -0.19 0.35 0.13 0.00 -2.27 0.00 0.00 64.05 62.07 5cel n THR 429 Cb 0.85 -1.21 0.50 0.00 -2.10 0.00 0.00 70.33 68.38 5cel n THR 429 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5cel n GLY 430 N -0.47 -1.16 3.84 3.38 0.00 -1.26 -4.90 105.19 104.62 5cel n GLY 430 Ca 0.02 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 5cel n GLY 430 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 5cel s ASN 431 N -2.76 5.33 0.22 1.61 0.01 -0.86 -4.98 114.94 113.51 5cel s ASN 431 Ca 0.20 1.37 -0.31 0.00 -0.71 0.00 0.00 52.86 53.41 5cel s ASN 431 Cb 0.19 -2.23 -0.14 0.00 0.41 0.00 0.00 41.25 39.48 5cel s ASN 431 CO 0.55 -1.45 1.24 -2.65 -1.51 0.00 0.00 177.10 173.29 5cel n PRO 432 N -3.11 1.57 -2.72 -0.60 -0.02 -1.26 -4.85 135.00 124.01 5cel n PRO 432 Ca 0.07 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 5cel n PRO 432 Cb 0.55 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 5cel n PRO 432 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 5cel s SER 433 N 0.01 6.73 0.00 2.55 0.01 -1.26 -3.05 113.70 118.70 5cel s SER 433 Ca 0.68 1.78 0.30 0.00 1.31 0.00 0.00 55.95 60.02 5cel s SER 433 Cb -0.74 -2.55 1.49 0.00 0.21 0.00 0.00 66.02 64.43 5cel s SER 433 CO 0.53 -0.50 1.99 0.61 0.41 0.00 0.00 173.24 176.28