#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mmy n GLY 5 N 0.00 0.59 3.17 1.37 0.00 -1.26 -5.08 105.19 103.98 3mmy n GLY 5 Ca 0.00 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.55 3mmy n GLY 5 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mmy s THR 6 N -0.32 1.28 0.01 2.61 -1.32 -1.26 -5.06 115.64 111.57 3mmy s THR 6 Ca 0.00 -0.94 -0.26 0.00 -1.21 0.00 0.00 61.69 59.28 3mmy s THR 6 Cb 0.00 -1.12 -0.16 0.00 -1.51 0.00 0.00 72.50 69.72 3mmy s THR 6 CO 0.00 0.16 1.19 0.00 -2.21 0.00 0.00 174.62 173.76 3mmy h THR 7 N 4.55 0.41 -3.12 5.08 1.03 -1.98 -3.43 112.91 115.45 3mmy h THR 7 Ca -0.38 -0.46 -0.61 0.00 -0.01 0.00 0.00 66.41 64.95 3mmy h THR 7 Cb 1.17 0.57 -0.36 0.00 -1.07 0.00 0.00 68.15 68.46 3mmy h THR 7 CO 0.45 0.06 -0.83 -0.44 -0.01 0.00 0.00 175.52 174.75 3mmy s SER 8 N -4.82 2.70 0.00 0.00 0.01 -1.26 -4.85 113.70 105.48 3mmy s SER 8 Ca -0.14 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.63 3mmy s SER 8 Cb 0.02 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 65.05 3mmy s SER 8 CO 0.49 -0.05 0.30 0.61 0.41 0.00 0.00 173.24 175.01 3mmy n GLY 9 N 4.74 -0.19 0.19 3.44 0.00 -1.24 -4.84 105.19 107.29 3mmy n GLY 9 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 3mmy n GLY 9 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3mmy h PHE 10 N 0.00 0.00 -0.54 1.61 0.04 -1.74 -3.39 116.94 112.91 3mmy h PHE 10 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3mmy h PHE 10 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3mmy h PHE 10 CO 0.00 0.36 0.00 0.41 -0.60 0.00 0.00 178.31 178.48 3mmy n GLY 11 N 0.20 0.75 2.93 -1.45 0.00 -1.26 -4.89 105.19 101.47 3mmy n GLY 11 Ca -0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 3mmy n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mmy s THR 12 N 0.00 0.37 0.32 2.61 2.01 -1.26 -5.04 115.64 114.65 3mmy s THR 12 Ca 0.00 -0.16 -0.26 0.00 0.31 0.00 0.00 61.69 61.58 3mmy s THR 12 Cb 0.00 -0.34 -0.10 0.00 0.01 0.00 0.00 72.50 72.07 3mmy s THR 12 CO 0.00 0.12 0.96 -0.44 -0.69 0.00 0.00 174.62 174.57 3mmy s SER 13 N 0.13 7.31 0.16 3.53 0.01 -1.26 -5.08 113.70 118.50 3mmy s SER 13 Ca -0.01 1.87 0.08 0.00 1.31 0.00 0.00 55.95 59.21 3mmy s SER 13 Cb -0.05 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 3mmy s SER 13 CO -0.00 -0.09 -0.08 -0.83 0.41 0.00 0.00 173.24 172.64 3mmy s GLY 14 N -1.56 1.74 0.02 3.44 0.00 -1.26 -5.11 107.32 104.59 3mmy s GLY 14 Ca 0.50 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.84 3mmy s GLY 14 CO 0.25 -1.41 -0.00 -1.08 0.00 0.00 0.00 173.10 170.86 3mmy s THR 15 N -1.59 4.10 0.27 0.90 -1.32 -1.26 -5.09 115.64 111.66 3mmy s THR 15 Ca 0.24 -0.69 -0.29 0.00 -1.21 0.00 0.00 61.69 59.74 3mmy s THR 15 Cb -0.09 -2.86 -0.14 0.00 -1.51 0.00 0.00 72.50 67.90 3mmy s THR 15 CO 0.15 0.32 1.04 -0.24 -2.21 0.00 0.00 174.62 173.68 3mmy n SER 16 N 1.22 1.31 0.27 8.08 2.88 -1.26 -4.86 113.62 121.26 3mmy n SER 16 Ca -0.14 1.17 0.18 0.00 -1.33 0.00 0.00 58.87 58.76 3mmy n SER 16 Cb 0.52 -1.28 0.95 0.00 -0.75 0.00 0.00 64.21 63.66 3mmy n SER 16 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3mmy h MET 17 N 2.26 0.00 0.00 -1.46 2.86 -2.07 -3.57 114.93 112.94 3mmy h MET 17 Ca -0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3mmy h MET 17 Cb 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 3mmy h MET 17 CO 0.62 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.78 3mmy n PHE 18 N -2.79 0.00 -0.36 -0.22 3.01 -1.26 -5.36 117.46 110.48 3mmy n PHE 18 Ca -0.02 -0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.35 3mmy n PHE 18 Cb 0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 3mmy n PHE 18 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 3mmy n THR 23 N -0.09 0.00 -3.86 4.37 5.66 -1.26 -5.29 114.28 113.82 3mmy n THR 23 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 3mmy n THR 23 Cb 0.09 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.83 3mmy n THR 23 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3mmy s ASP 24 N 0.00 4.98 -0.26 1.09 2.15 -1.26 -5.06 116.67 118.32 3mmy s ASP 24 Ca 0.00 -0.68 0.13 0.00 0.43 0.00 0.00 52.55 52.42 3mmy s ASP 24 Cb 0.00 -0.76 0.62 0.00 -0.30 0.00 0.00 42.92 42.48 3mmy s ASP 24 CO 0.00 -0.43 1.59 -3.20 -0.17 0.00 0.00 175.17 172.96 3mmy n ASN 25 N -1.34 4.10 0.15 -0.34 5.15 -1.26 -4.63 115.26 117.09 3mmy n ASN 25 Ca -0.01 -3.23 0.02 0.00 -0.60 0.00 0.00 54.58 50.76 3mmy n ASN 25 Cb 0.61 -0.64 0.14 0.00 -0.53 0.00 0.00 39.78 39.36 3mmy n ASN 25 CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 3mmy h HIS 26 N 2.11 0.00 -1.32 1.20 2.07 -1.97 -2.78 115.15 114.46 3mmy h HIS 26 Ca 0.14 0.00 -0.44 0.00 -2.85 0.00 0.00 60.37 57.22 3mmy h HIS 26 Cb 1.84 0.00 -0.31 0.00 2.57 0.00 0.00 27.41 31.51 3mmy h HIS 26 CO 0.91 0.54 -0.91 -1.71 -3.07 0.00 0.00 177.93 173.70 3mmy n ASN 27 N -3.43 -0.79 0.28 3.10 5.15 -1.26 -4.71 115.26 113.60 3mmy n ASN 27 Ca 0.00 -2.95 0.18 0.00 -0.60 0.00 0.00 54.58 51.21 3mmy n ASN 27 Cb 0.67 0.21 0.75 0.00 -0.53 0.00 0.00 39.78 40.88 3mmy n ASN 27 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3mmy h PRO 28 N 3.86 0.00 0.00 1.20 0.13 -1.88 -2.17 132.00 133.14 3mmy h PRO 28 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3mmy h PRO 28 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3mmy h PRO 28 CO 0.41 0.00 -0.32 -1.33 -0.23 0.00 0.00 178.00 176.53 3mmy n MET 29 N -3.01 0.12 -3.73 0.86 2.81 -1.26 -4.94 117.12 107.96 3mmy n MET 29 Ca 0.00 0.06 -0.24 0.00 -1.81 0.00 0.00 57.70 55.71 3mmy n MET 29 Cb 0.26 -1.60 0.04 0.00 -0.71 0.00 0.00 33.22 31.22 3mmy n MET 29 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3mmy n LYS 30 N -1.78 -5.57 -1.60 0.03 5.02 -0.82 -5.00 118.16 108.45 3mmy n LYS 30 Ca 0.05 0.66 -0.30 0.00 -2.02 0.00 0.00 58.31 56.70 3mmy n LYS 30 Cb 0.38 -5.41 0.09 0.00 -0.02 0.00 0.00 35.03 30.07 3mmy n LYS 30 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mmy s ASP 31 N -3.95 4.54 0.34 4.39 1.01 -1.26 -4.58 116.67 117.16 3mmy s ASP 31 Ca 0.26 1.25 -0.29 0.00 0.71 0.00 0.00 52.55 54.48 3mmy s ASP 31 Cb -0.13 -1.97 -0.11 0.00 1.01 0.00 0.00 42.92 41.73 3mmy s ASP 31 CO 0.80 -1.93 1.41 -0.63 0.21 0.00 0.00 175.17 175.03 3mmy s ILE 32 N -3.20 2.39 -0.21 0.77 -1.09 -0.52 -4.77 121.20 114.57 3mmy s ILE 32 Ca 0.61 0.39 -0.08 0.00 -2.23 0.00 0.00 60.65 59.33 3mmy s ILE 32 Cb -0.14 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 3mmy s ILE 32 CO 0.54 0.09 0.09 -1.61 -1.23 0.00 0.00 174.94 172.81 3mmy s GLU 33 N -1.73 3.91 0.25 2.79 2.02 -1.26 -0.81 118.70 123.87 3mmy s GLU 33 Ca 0.52 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.85 3mmy s GLU 33 Cb -0.43 -3.31 -0.10 0.00 0.10 0.00 0.00 34.13 30.38 3mmy s GLU 33 CO 0.56 0.11 1.47 0.08 0.02 0.00 0.00 175.26 177.50 3mmy s VAL 34 N 0.84 2.59 0.35 2.63 1.01 -0.24 -4.89 120.40 122.68 3mmy s VAL 34 Ca 0.05 0.49 -0.26 0.00 0.00 0.00 0.00 61.98 62.26 3mmy s VAL 34 Cb -0.13 -3.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 3mmy s VAL 34 CO 0.02 0.08 1.05 0.42 0.00 0.00 0.00 175.10 176.67 3mmy s THR 35 N 0.07 3.71 -0.96 3.92 -4.23 -1.26 -4.21 115.64 112.68 3mmy s THR 35 Ca 0.60 1.46 -0.08 0.00 -1.18 0.00 0.00 61.69 62.50 3mmy s THR 35 Cb -0.43 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.56 3mmy s THR 35 CO 0.43 0.15 0.79 -1.20 -0.54 0.00 0.00 174.62 174.26 3mmy n SER 36 N 0.45 -6.49 -4.84 3.99 7.64 -1.26 -4.78 113.62 108.34 3mmy n SER 36 Ca 0.02 -0.63 -0.31 0.00 1.01 0.00 0.00 58.87 58.97 3mmy n SER 36 Cb 0.48 -4.44 0.04 0.00 -1.01 0.00 0.00 64.21 59.28 3mmy n SER 36 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3mmy s SER 37 N -3.26 5.59 0.76 6.43 1.04 -1.26 -5.00 113.70 118.00 3mmy s SER 37 Ca 0.29 1.53 -0.15 0.00 0.48 0.00 0.00 55.95 58.10 3mmy s SER 37 Cb -0.07 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.63 3mmy s SER 37 CO 0.79 -1.30 0.94 -2.65 0.98 0.00 0.00 173.24 172.00 3mmy n PRO 38 N -3.03 0.33 0.00 4.02 -0.02 -1.26 -4.92 135.00 130.12 3mmy n PRO 38 Ca 0.07 0.17 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 3mmy n PRO 38 Cb 0.54 -2.21 0.49 0.00 -0.02 0.00 0.00 33.50 32.30 3mmy n PRO 38 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3mmy n ASP 39 N -1.94 0.60 -3.84 2.55 8.00 -1.26 -4.60 116.55 116.06 3mmy n ASP 39 Ca 0.12 -0.54 -0.14 0.00 0.71 0.00 0.00 54.79 54.94 3mmy n ASP 39 Cb 0.50 -0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.52 3mmy n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mmy s ASP 40 N -2.59 0.65 0.30 -2.24 -1.08 -1.26 -4.95 116.67 105.50 3mmy s ASP 40 Ca 0.24 -1.46 -0.28 0.00 -0.52 0.00 0.00 52.55 50.52 3mmy s ASP 40 Cb 0.19 0.48 -0.14 0.00 -1.46 0.00 0.00 42.92 42.00 3mmy s ASP 40 CO 0.52 -0.98 1.09 -1.20 0.52 0.00 0.00 175.17 175.12 3mmy n SER 41 N -0.77 1.67 -4.65 -0.34 7.64 -1.26 -4.48 113.62 111.43 3mmy n SER 41 Ca 0.03 1.18 -0.39 0.00 1.01 0.00 0.00 58.87 60.71 3mmy n SER 41 Cb 0.64 -1.33 -0.07 0.00 -1.01 0.00 0.00 64.21 62.43 3mmy n SER 41 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3mmy s ILE 42 N -1.01 5.13 -0.05 0.44 1.01 -1.26 -0.77 121.20 124.70 3mmy s ILE 42 Ca 0.59 0.84 0.10 0.00 0.00 0.00 0.00 60.65 62.18 3mmy s ILE 42 Cb -0.67 -3.79 -0.23 0.00 0.01 0.00 0.00 42.46 37.77 3mmy s ILE 42 CO 0.60 0.19 0.64 0.61 0.00 0.00 0.00 174.94 176.97 3mmy n GLY 43 N 4.03 -0.95 3.40 6.18 0.00 -0.68 -4.65 105.19 112.52 3mmy n GLY 43 Ca -0.06 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 3mmy n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mmy s LEU 45 N -1.08 2.13 -0.23 0.00 1.43 -1.26 -2.16 118.68 117.51 3mmy s LEU 45 Ca -0.11 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 3mmy s LEU 45 Cb -0.02 -0.25 0.08 0.00 0.03 0.00 0.00 46.19 46.02 3mmy s LEU 45 CO 0.07 -0.06 0.54 -0.55 0.23 0.00 0.00 176.35 176.57 3mmy s SER 46 N -0.85 -0.70 0.16 2.29 0.15 -0.47 -4.79 113.70 109.49 3mmy s SER 46 Ca -0.03 1.20 -0.11 0.00 0.70 0.00 0.00 55.95 57.70 3mmy s SER 46 Cb -0.06 1.22 -0.07 0.00 -1.71 0.00 0.00 66.02 65.40 3mmy s SER 46 CO 0.00 -0.22 0.50 -0.36 1.20 0.00 0.00 173.24 174.37 3mmy s PHE 47 N 1.79 3.53 0.58 3.44 0.40 -1.26 -0.75 117.98 125.71 3mmy s PHE 47 Ca -0.08 0.90 -0.19 0.00 -0.60 0.00 0.00 56.93 56.96 3mmy s PHE 47 Cb -0.08 -2.26 -0.06 0.00 0.51 0.00 0.00 43.02 41.13 3mmy s PHE 47 CO -0.16 0.40 0.82 -1.13 0.70 0.00 0.00 175.22 175.85 3mmy n SER 48 N 0.46 0.19 -4.79 1.36 3.41 0.06 -4.87 113.62 109.45 3mmy n SER 48 Ca -0.04 0.79 -0.30 0.00 -0.26 0.00 0.00 58.87 59.06 3mmy n SER 48 Cb 0.52 -1.32 0.09 0.00 -0.26 0.00 0.00 64.21 63.24 3mmy n SER 48 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3mmy s PRO 49 N -2.51 2.20 0.07 4.33 0.04 -1.26 -4.21 135.00 133.65 3mmy s PRO 49 Ca 0.73 0.84 0.06 0.00 0.04 0.00 0.00 61.00 62.67 3mmy s PRO 49 Cb -0.43 -1.92 0.32 0.00 0.04 0.00 0.00 34.50 32.51 3mmy s PRO 49 CO 0.50 -1.59 1.20 -0.35 0.04 0.00 0.00 177.00 176.80 3mmy n PRO 50 N -3.44 0.03 0.25 0.56 -0.04 -1.26 -1.89 135.00 129.21 3mmy n PRO 50 Ca 0.07 0.49 0.14 0.00 -0.04 0.00 0.00 63.50 64.16 3mmy n PRO 50 Cb 0.55 -1.59 0.48 0.00 -0.04 0.00 0.00 33.50 32.90 3mmy n PRO 50 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3mmy h THR 51 N 0.00 0.12 -3.40 0.52 1.35 -1.89 -3.42 112.91 106.18 3mmy h THR 51 Ca 0.00 -0.81 -0.59 0.00 -0.55 0.00 0.00 66.41 64.46 3mmy h THR 51 Cb 0.05 1.72 -0.09 0.00 -1.73 0.00 0.00 68.15 68.09 3mmy h THR 51 CO 0.00 0.05 -0.10 -0.76 -0.25 0.00 0.00 175.52 174.47 3mmy s LEU 52 N -6.30 4.21 0.33 3.87 1.43 -0.79 -4.93 118.68 116.50 3mmy s LEU 52 Ca 0.03 0.72 -0.28 0.00 -1.03 0.00 0.00 54.13 53.57 3mmy s LEU 52 Cb 0.08 -2.69 -0.10 0.00 0.03 0.00 0.00 46.19 43.52 3mmy s LEU 52 CO 0.60 -0.09 1.23 -2.16 0.23 0.00 0.00 176.35 176.16 3mmy s PRO 53 N 1.15 4.37 0.10 1.29 0.04 -1.26 -4.76 135.00 135.93 3mmy s PRO 53 Ca 0.24 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.33 3mmy s PRO 53 Cb -0.15 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.36 3mmy s PRO 53 CO 0.10 -0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.43 3mmy n GLY 54 N 0.87 -2.25 3.12 0.56 0.00 -1.26 -4.92 105.19 101.31 3mmy n GLY 54 Ca 0.01 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 3mmy n GLY 54 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mmy s ASN 55 N -2.28 2.75 -0.07 1.61 0.01 -1.26 -4.99 114.94 110.71 3mmy s ASN 55 Ca 0.00 -0.51 0.04 0.00 -0.71 0.00 0.00 52.86 51.68 3mmy s ASN 55 Cb 0.00 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.40 3mmy s ASN 55 CO 0.00 0.06 -0.20 -0.36 -1.51 0.00 0.00 177.10 175.09 3mmy s PHE 56 N 0.83 2.13 -0.10 2.20 0.40 -1.26 -0.13 117.98 122.05 3mmy s PHE 56 Ca -0.09 -0.78 -0.01 0.00 -0.60 0.00 0.00 56.93 55.46 3mmy s PHE 56 Cb -0.16 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 3mmy s PHE 56 CO -0.00 -0.31 -0.05 -1.17 0.70 0.00 0.00 175.22 174.39 3mmy s LEU 57 N 0.28 3.22 -0.08 -0.37 2.96 0.07 -0.76 118.68 123.99 3mmy s LEU 57 Ca -0.13 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3mmy s LEU 57 Cb -0.16 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3mmy s LEU 57 CO 0.06 0.31 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.68 3mmy s ILE 58 N -0.47 3.54 -0.01 6.68 -1.09 0.07 -1.15 121.20 128.77 3mmy s ILE 58 Ca 0.07 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 57.98 3mmy s ILE 58 Cb -0.12 -2.45 -0.00 0.00 -1.58 0.00 0.00 42.46 38.31 3mmy s ILE 58 CO 0.02 0.58 -0.06 0.00 -1.23 0.00 0.00 174.94 174.25 3mmy s ALA 59 N -0.55 0.55 0.08 9.38 0.00 -0.61 -1.37 121.76 129.24 3mmy s ALA 59 Ca 0.08 -0.25 0.06 0.00 0.00 0.00 0.00 51.96 51.84 3mmy s ALA 59 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3mmy s ALA 59 CO 0.02 0.12 -0.06 0.20 0.00 0.00 0.00 175.76 176.04 3mmy s GLY 60 N -0.05 1.83 0.18 0.00 0.00 -0.92 -1.13 107.32 107.24 3mmy s GLY 60 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3mmy s GLY 60 CO -0.00 -1.12 0.06 -1.35 0.00 0.00 0.00 173.10 170.70 3mmy s SER 61 N -2.09 0.70 0.00 1.64 1.04 -0.76 -1.68 113.70 112.55 3mmy s SER 61 Ca 0.22 -1.27 0.01 0.00 0.48 0.00 0.00 55.95 55.39 3mmy s SER 61 Cb -0.11 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.29 3mmy s SER 61 CO 0.14 -0.71 0.71 0.79 0.98 0.00 0.00 173.24 175.16 3mmy n TRP 62 N -0.24 0.00 -0.29 5.02 7.02 0.05 -1.94 117.44 127.06 3mmy n TRP 62 Ca -0.03 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.56 3mmy n TRP 62 Cb 0.65 0.00 0.30 0.00 -2.42 0.00 0.00 31.31 29.83 3mmy n TRP 62 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3mmy n ALA 63 N -0.52 2.36 -0.83 6.99 0.00 -1.26 -4.68 120.51 122.57 3mmy n ALA 63 Ca 0.01 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.19 3mmy n ALA 63 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3mmy n ALA 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mmy n ASN 64 N 1.53 -0.26 -4.94 0.00 3.02 -0.82 -4.97 115.26 108.82 3mmy n ASN 64 Ca 0.23 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.50 3mmy n ASN 64 Cb 0.60 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 3mmy n ASN 64 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3mmy s ASP 65 N -2.89 6.35 -0.09 6.41 -4.77 -1.26 -0.38 116.67 120.04 3mmy s ASP 65 Ca 0.00 0.22 0.04 0.00 -3.30 0.00 0.00 52.55 49.51 3mmy s ASP 65 Cb 0.00 -1.93 -0.01 0.00 -1.09 0.00 0.00 42.92 39.89 3mmy s ASP 65 CO 0.00 0.07 -0.23 -0.69 0.70 0.00 0.00 175.17 175.02 3mmy s VAL 66 N -1.70 2.21 0.13 2.11 1.01 -0.27 -1.82 120.40 122.07 3mmy s VAL 66 Ca 0.35 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.44 3mmy s VAL 66 Cb -0.11 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 3mmy s VAL 66 CO 0.28 0.56 -0.21 -0.13 0.00 0.00 0.00 175.10 175.60 3mmy s ARG 67 N 0.19 1.25 -0.06 2.72 0.52 -0.28 -0.99 118.95 122.29 3mmy s ARG 67 Ca -0.13 -1.29 0.05 0.00 -0.52 0.00 0.00 55.73 53.83 3mmy s ARG 67 Cb -0.16 -1.50 -0.00 0.00 0.52 0.00 0.00 34.95 33.80 3mmy s ARG 67 CO 0.07 0.34 -0.20 0.00 0.02 0.00 0.00 175.30 175.53 3mmy s TRP 69 N 0.10 1.86 -0.01 0.00 0.51 -0.30 -0.45 118.94 120.65 3mmy s TRP 69 Ca -0.07 -0.37 -0.27 0.00 -2.12 0.00 0.00 56.10 53.27 3mmy s TRP 69 Cb -0.14 -1.14 -0.04 0.00 -0.81 0.00 0.00 33.47 31.34 3mmy s TRP 69 CO 0.04 0.04 0.86 -2.00 -0.51 0.00 0.00 176.95 175.38 3mmy s GLU 70 N -0.89 4.52 -0.27 4.98 2.12 0.30 -0.75 118.70 128.71 3mmy s GLU 70 Ca 0.08 1.20 -0.06 0.00 0.36 0.00 0.00 54.97 56.55 3mmy s GLU 70 Cb -0.09 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.87 3mmy s GLU 70 CO 0.01 0.05 0.04 0.08 -0.54 0.00 0.00 175.26 174.90 3mmy s VAL 71 N 0.72 3.79 0.33 3.70 1.01 0.81 -1.07 120.40 129.69 3mmy s VAL 71 Ca 0.45 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 3mmy s VAL 71 Cb -0.20 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 3mmy s VAL 71 CO 0.24 0.20 0.62 -1.10 0.00 0.00 0.00 175.10 175.06 3mmy s GLN 72 N 1.49 3.64 0.46 2.72 -0.21 0.17 -4.00 119.66 123.94 3mmy s GLN 72 Ca 0.03 0.09 0.20 0.00 0.02 0.00 0.00 55.36 55.71 3mmy s GLN 72 Cb -0.16 -2.57 1.19 0.00 1.00 0.00 0.00 33.01 32.47 3mmy s GLN 72 CO 0.01 0.12 1.93 -0.44 -2.12 0.00 0.00 175.29 174.78 3mmy h ASP 73 N 1.39 0.26 0.95 5.90 3.32 -1.93 0.79 116.42 127.10 3mmy h ASP 73 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3mmy h ASP 73 Cb 1.19 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3mmy h ASP 73 CO 0.65 0.13 0.00 -1.54 -1.72 0.00 0.00 179.24 176.75 3mmy n SER 74 N -4.44 0.74 0.00 6.45 3.41 -1.26 -3.62 113.62 114.91 3mmy n SER 74 Ca 0.14 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 3mmy n SER 74 Cb 0.62 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3mmy n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mmy n GLY 75 N 0.37 0.23 3.74 5.00 0.00 0.27 -4.29 105.19 110.51 3mmy n GLY 75 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3mmy n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mmy s GLN 76 N -0.99 4.35 -0.08 1.61 0.74 -1.26 -4.81 119.66 119.22 3mmy s GLN 76 Ca 0.00 2.13 0.04 0.00 0.05 0.00 0.00 55.36 57.58 3mmy s GLN 76 Cb 0.00 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.94 3mmy s GLN 76 CO 0.00 -0.31 -0.21 0.95 -0.55 0.00 0.00 175.29 175.17 3mmy s THR 77 N 0.10 1.80 -0.21 -0.34 -4.23 -1.26 -0.66 115.64 110.85 3mmy s THR 77 Ca 0.58 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 3mmy s THR 77 Cb -0.38 -1.56 0.03 0.00 1.34 0.00 0.00 72.50 71.93 3mmy s THR 77 CO 0.39 0.50 -0.15 -0.63 -0.54 0.00 0.00 174.62 174.19 3mmy s ILE 78 N 0.27 2.28 0.28 2.99 1.09 -0.24 -4.59 121.20 123.29 3mmy s ILE 78 Ca -0.13 -1.06 -0.30 0.00 -1.10 0.00 0.00 60.65 58.05 3mmy s ILE 78 Cb -0.16 -2.07 -0.12 0.00 -1.06 0.00 0.00 42.46 39.05 3mmy s ILE 78 CO 0.06 0.37 1.57 -2.65 -0.10 0.00 0.00 174.94 174.20 3mmy n PRO 79 N 4.60 2.61 -0.04 2.79 -0.02 -1.26 -0.54 135.00 143.15 3mmy n PRO 79 Ca -0.19 0.93 -0.05 0.00 -2.02 0.00 0.00 63.50 62.17 3mmy n PRO 79 Cb 0.48 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 3mmy n PRO 79 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3mmy n LYS 80 N 2.17 0.17 -3.56 -0.52 4.76 0.40 -4.86 118.16 116.73 3mmy n LYS 80 Ca 0.09 0.04 -0.06 0.00 -2.87 0.00 0.00 58.31 55.51 3mmy n LYS 80 Cb 0.36 -1.13 -0.02 0.00 -1.84 0.00 0.00 35.03 32.40 3mmy n LYS 80 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mmy s ALA 81 N -2.14 -1.96 0.04 7.82 0.00 -1.21 -5.02 121.76 119.29 3mmy s ALA 81 Ca -0.09 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 3mmy s ALA 81 Cb 0.02 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.17 3mmy s ALA 81 CO 0.16 -0.60 0.23 1.14 0.00 0.00 0.00 175.76 176.68 3mmy s GLN 82 N -2.57 0.72 0.14 0.00 -2.07 -1.26 -1.03 119.66 113.58 3mmy s GLN 82 Ca 0.07 -0.59 0.01 0.00 -1.82 0.00 0.00 55.36 53.03 3mmy s GLN 82 Cb -0.01 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 3mmy s GLN 82 CO -0.06 -0.22 -0.00 -0.65 -1.32 0.00 0.00 175.29 173.04 3mmy s GLN 83 N -2.54 0.97 -0.04 9.60 -1.52 -0.17 -5.00 119.66 120.96 3mmy s GLN 83 Ca -0.05 -1.44 0.05 0.00 -1.95 0.00 0.00 55.36 51.96 3mmy s GLN 83 Cb -0.01 -0.10 -0.01 0.00 -0.22 0.00 0.00 33.01 32.67 3mmy s GLN 83 CO -0.04 -0.13 -0.18 -1.64 -0.25 0.00 0.00 175.29 173.05 3mmy s MET 84 N -3.93 1.78 0.59 2.91 -1.94 -1.26 -1.12 119.30 116.33 3mmy s MET 84 Ca 0.20 -0.65 0.09 0.00 -1.71 0.00 0.00 55.69 53.62 3mmy s MET 84 Cb 0.06 -1.59 0.09 0.00 2.01 0.00 0.00 34.83 35.41 3mmy s MET 84 CO 0.00 0.30 0.77 0.72 -0.01 0.00 0.00 175.02 176.81 3mmy n HIS 85 N 2.99 -2.09 0.12 -0.03 8.25 0.49 -5.01 115.22 119.94 3mmy n HIS 85 Ca -0.17 -2.19 0.08 0.00 -0.26 0.00 0.00 57.72 55.19 3mmy n HIS 85 Cb 0.53 -0.55 0.17 0.00 1.12 0.00 0.00 29.99 31.26 3mmy n HIS 85 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3mmy n THR 86 N -2.24 0.60 -3.93 1.59 -2.24 -1.26 -4.80 114.28 102.00 3mmy n THR 86 Ca 0.15 -0.80 -0.09 0.00 -2.27 0.00 0.00 64.05 61.03 3mmy n THR 86 Cb 0.62 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.63 3mmy n THR 86 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3mmy s GLY 87 N -1.16 0.38 0.22 3.38 0.00 -1.26 -4.84 107.32 104.05 3mmy s GLY 87 Ca 0.29 -0.74 -0.31 0.00 0.00 0.00 0.00 44.72 43.97 3mmy s GLY 87 CO 0.23 -0.62 1.09 -1.05 0.00 0.00 0.00 173.10 172.75 3mmy n PRO 88 N -0.32 1.24 -3.09 2.90 -0.02 -1.26 -4.35 135.00 130.10 3mmy n PRO 88 Ca -0.05 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 3mmy n PRO 88 Cb 0.62 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 3mmy n PRO 88 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mmy s VAL 89 N -0.56 4.95 -0.13 -1.45 1.01 -0.95 -0.69 120.40 122.59 3mmy s VAL 89 Ca 0.67 1.05 0.18 0.00 0.00 0.00 0.00 61.98 63.88 3mmy s VAL 89 Cb -0.78 -3.98 -0.20 0.00 0.00 0.00 0.00 36.38 31.42 3mmy s VAL 89 CO 0.55 -0.06 0.58 0.18 0.00 0.00 0.00 175.10 176.35 3mmy n LEU 90 N 5.82 0.47 -3.50 3.92 4.77 0.10 -4.09 117.00 124.48 3mmy n LEU 90 Ca -0.00 0.20 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 3mmy n LEU 90 Cb 0.49 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 3mmy n LEU 90 CO 0.45 0.18 0.39 -0.62 -1.33 0.00 0.00 177.39 176.46 3mmy s ASP 91 N -5.42 -0.58 -0.00 -1.43 2.15 -1.17 -4.56 116.67 105.65 3mmy s ASP 91 Ca -0.06 0.38 -0.10 0.00 0.43 0.00 0.00 52.55 53.21 3mmy s ASP 91 Cb 0.09 0.55 0.01 0.00 -0.30 0.00 0.00 42.92 43.27 3mmy s ASP 91 CO 0.84 -0.74 0.19 0.68 -0.17 0.00 0.00 175.17 175.97 3mmy s VAL 92 N -2.23 0.07 0.33 1.11 -7.23 -1.26 -1.06 120.40 110.13 3mmy s VAL 92 Ca -0.06 -0.61 -0.12 0.00 -1.81 0.00 0.00 61.98 59.38 3mmy s VAL 92 Cb -0.01 -0.49 0.02 0.00 0.56 0.00 0.00 36.38 36.47 3mmy s VAL 92 CO 0.01 -0.33 0.63 0.00 -0.31 0.00 0.00 175.10 175.09 3mmy s TRP 94 N -3.10 2.72 0.61 0.00 0.52 -1.26 0.10 118.94 118.53 3mmy s TRP 94 Ca 0.21 -0.19 -0.14 0.00 0.02 0.00 0.00 56.10 56.00 3mmy s TRP 94 Cb -0.03 -1.31 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 3mmy s TRP 94 CO 0.13 0.53 1.04 -1.54 0.02 0.00 0.00 176.95 177.13 3mmy s SER 95 N -2.98 5.83 0.53 2.95 1.04 -0.28 -4.62 113.70 116.17 3mmy s SER 95 Ca 0.27 1.68 0.29 0.00 0.48 0.00 0.00 55.95 58.67 3mmy s SER 95 Cb -0.09 -2.51 1.46 0.00 0.10 0.00 0.00 66.02 64.99 3mmy s SER 95 CO 0.17 -1.14 2.06 -2.24 0.98 0.00 0.00 173.24 173.08 3mmy h ASP 96 N 0.10 0.00 0.30 7.02 2.03 -1.95 -1.42 116.42 122.50 3mmy h ASP 96 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 3mmy h ASP 96 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 3mmy h ASP 96 CO 0.58 0.11 -0.11 -0.90 -1.03 0.00 0.00 179.24 177.89 3mmy n ASP 97 N -3.53 0.58 0.00 4.15 5.75 -1.26 -4.56 116.55 117.68 3mmy n ASP 97 Ca -0.01 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 3mmy n ASP 97 Cb 0.25 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3mmy n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mmy n GLY 98 N 1.26 0.70 0.09 6.12 0.00 -0.53 -4.60 105.19 108.23 3mmy n GLY 98 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3mmy n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mmy h SER 99 N 0.00 0.00 -4.37 1.61 4.64 -1.92 -3.47 113.55 110.04 3mmy h SER 99 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 3mmy h SER 99 Cb 0.04 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.86 3mmy h SER 99 CO 0.00 0.77 -0.87 -0.54 -0.87 0.00 0.00 176.83 175.32 3mmy s LYS 100 N -2.81 1.75 -0.13 4.77 -0.14 -1.26 -2.36 119.74 119.56 3mmy s LYS 100 Ca 0.01 -1.00 -0.00 0.00 -1.36 0.00 0.00 55.97 53.62 3mmy s LYS 100 Cb 0.09 -1.85 -0.02 0.00 -1.68 0.00 0.00 37.83 34.37 3mmy s LYS 100 CO 0.79 0.49 -0.13 0.08 -0.76 0.00 0.00 175.35 175.82 3mmy s VAL 101 N -0.73 3.08 -0.07 3.17 1.01 0.06 -1.12 120.40 125.80 3mmy s VAL 101 Ca 0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3mmy s VAL 101 Cb -0.10 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3mmy s VAL 101 CO 0.01 0.53 0.01 -0.36 0.00 0.00 0.00 175.10 175.28 3mmy s PHE 102 N 0.30 3.16 0.01 5.22 0.40 0.11 -0.19 117.98 126.99 3mmy s PHE 102 Ca -0.10 0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.45 3mmy s PHE 102 Cb -0.16 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 3mmy s PHE 102 CO 0.05 0.47 -0.09 0.95 0.70 0.00 0.00 175.22 177.31 3mmy s THR 103 N -0.92 0.73 -0.05 0.64 -4.23 -0.39 -1.39 115.64 110.04 3mmy s THR 103 Ca 0.14 -0.54 0.03 0.00 -1.18 0.00 0.00 61.69 60.15 3mmy s THR 103 Cb -0.11 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.09 3mmy s THR 103 CO 0.04 0.11 -0.15 0.00 -0.54 0.00 0.00 174.62 174.07 3mmy s ALA 104 N -0.42 1.39 0.09 3.99 0.00 -0.23 -0.81 121.76 125.78 3mmy s ALA 104 Ca 0.02 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.43 3mmy s ALA 104 Cb -0.05 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 3mmy s ALA 104 CO -0.00 0.22 -0.09 0.45 0.00 0.00 0.00 175.76 176.34 3mmy s SER 105 N 0.23 1.33 0.39 0.00 0.15 -0.83 -0.72 113.70 114.25 3mmy s SER 105 Ca -0.07 -0.84 0.27 0.00 0.70 0.00 0.00 55.95 56.00 3mmy s SER 105 Cb -0.12 0.03 1.39 0.00 -1.71 0.00 0.00 66.02 65.60 3mmy s SER 105 CO 0.03 -0.31 1.81 0.00 1.20 0.00 0.00 173.24 175.97 3mmy n ASP 107 N -2.44 0.00 -0.01 0.00 5.68 -1.26 -4.30 116.55 114.22 3mmy n ASP 107 Ca -0.01 -0.88 -0.00 0.00 -0.50 0.00 0.00 54.79 53.39 3mmy n ASP 107 Cb 0.08 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3mmy n ASP 107 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3mmy n LYS 108 N -0.75 -0.06 -4.47 0.11 5.02 -0.92 -4.99 118.16 112.10 3mmy n LYS 108 Ca 0.07 0.12 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 3mmy n LYS 108 Cb 0.03 -3.26 -0.11 0.00 -0.02 0.00 0.00 35.03 31.68 3mmy n LYS 108 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mmy s THR 109 N -1.98 1.40 0.05 -0.18 -4.23 -1.25 -0.54 115.64 108.91 3mmy s THR 109 Ca 0.00 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 3mmy s THR 109 Cb 0.00 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 3mmy s THR 109 CO 0.00 -0.06 -0.14 0.00 -0.54 0.00 0.00 174.62 173.88 3mmy s ALA 110 N -3.15 1.18 0.17 3.99 0.00 -0.97 -1.97 121.76 121.01 3mmy s ALA 110 Ca 0.35 -0.88 0.10 0.00 0.00 0.00 0.00 51.96 51.53 3mmy s ALA 110 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3mmy s ALA 110 CO 0.15 0.21 -0.18 0.15 0.00 0.00 0.00 175.76 176.09 3mmy s LYS 111 N -1.32 1.74 -0.22 0.00 1.02 0.01 -0.76 119.74 120.21 3mmy s LYS 111 Ca 0.01 -1.36 -0.06 0.00 0.02 0.00 0.00 55.97 54.58 3mmy s LYS 111 Cb -0.08 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 3mmy s LYS 111 CO 0.02 0.43 0.02 1.41 -0.92 0.00 0.00 175.35 176.30 3mmy s MET 112 N -2.59 3.58 -0.31 1.68 -2.45 0.37 -1.26 119.30 118.33 3mmy s MET 112 Ca 0.21 -0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 54.09 3mmy s MET 112 Cb -0.09 -3.16 0.04 0.00 1.25 0.00 0.00 34.83 32.87 3mmy s MET 112 CO 0.11 -0.10 0.04 -0.46 1.05 0.00 0.00 175.02 175.66 3mmy s TRP 113 N 1.33 3.23 -0.45 4.11 -0.00 0.73 -1.45 118.94 126.45 3mmy s TRP 113 Ca 0.04 -1.59 -0.25 0.00 -0.00 0.00 0.00 56.10 54.31 3mmy s TRP 113 Cb -0.15 -2.18 0.03 0.00 -0.00 0.00 0.00 33.47 31.17 3mmy s TRP 113 CO 0.01 -0.75 0.88 0.34 -0.00 0.00 0.00 176.95 177.44 3mmy s ASP 114 N 1.34 6.49 0.22 5.86 2.15 0.53 -0.76 116.67 132.51 3mmy s ASP 114 Ca -0.03 0.11 -0.05 0.00 0.43 0.00 0.00 52.55 53.01 3mmy s ASP 114 Cb -0.19 -2.43 0.21 0.00 -0.30 0.00 0.00 42.92 40.20 3mmy s ASP 114 CO 0.01 -0.99 1.71 -0.07 -0.17 0.00 0.00 175.17 175.65 3mmy h LEU 115 N 10.39 0.90 -0.77 -1.34 3.38 -1.76 0.26 115.31 126.36 3mmy h LEU 115 Ca -0.24 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 3mmy h LEU 115 Cb 1.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 3mmy h LEU 115 CO 1.00 0.96 0.29 0.77 0.09 0.00 0.00 178.44 181.55 3mmy h SER 116 N 0.86 1.08 0.05 -0.43 4.64 -1.93 -2.67 113.55 115.15 3mmy h SER 116 Ca 0.16 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3mmy h SER 116 Cb 0.50 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3mmy h SER 116 CO 0.02 0.97 -0.33 -1.54 -0.87 0.00 0.00 176.83 175.09 3mmy n SER 117 N -4.28 1.86 -3.73 4.97 3.41 -1.20 -4.97 113.62 109.68 3mmy n SER 117 Ca 0.07 -1.42 -0.28 0.00 -0.26 0.00 0.00 58.87 56.98 3mmy n SER 117 Cb 0.20 0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 3mmy n SER 117 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mmy n ASN 118 N 0.00 -3.42 -4.65 4.04 5.15 0.05 -4.98 115.26 111.45 3mmy n ASN 118 Ca 0.11 -0.64 -0.35 0.00 -0.60 0.00 0.00 54.58 53.11 3mmy n ASN 118 Cb 0.45 -2.83 -0.10 0.00 -0.53 0.00 0.00 39.78 36.77 3mmy n ASN 118 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3mmy s GLN 119 N -6.39 3.39 -0.04 1.20 -1.52 -1.02 -4.95 119.66 110.32 3mmy s GLN 119 Ca 0.55 -0.39 0.06 0.00 -1.95 0.00 0.00 55.36 53.62 3mmy s GLN 119 Cb -0.29 -2.95 -0.01 0.00 -0.22 0.00 0.00 33.01 29.54 3mmy s GLN 119 CO 0.67 0.52 -0.21 0.00 -0.25 0.00 0.00 175.29 176.02 3mmy s ALA 120 N -0.37 1.82 0.07 6.09 0.00 -1.26 -0.35 121.76 127.76 3mmy s ALA 120 Ca 0.08 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.21 3mmy s ALA 120 Cb -0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3mmy s ALA 120 CO 0.02 0.37 -0.15 0.96 0.00 0.00 0.00 175.76 176.96 3mmy s ILE 121 N -0.20 1.19 0.23 0.00 -4.36 -0.53 -4.97 121.20 112.57 3mmy s ILE 121 Ca -0.00 -1.27 -0.30 0.00 -0.26 0.00 0.00 60.65 58.81 3mmy s ILE 121 Cb -0.11 -1.12 -0.10 0.00 1.25 0.00 0.00 42.46 42.38 3mmy s ILE 121 CO 0.02 -0.16 1.48 -1.58 0.24 0.00 0.00 174.94 174.94 3mmy s GLN 122 N -1.64 4.25 0.00 0.37 0.74 -1.26 -0.48 119.66 121.64 3mmy s GLN 122 Ca -0.00 2.33 0.00 0.00 0.05 0.00 0.00 55.36 57.74 3mmy s GLN 122 Cb -0.10 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.90 3mmy s GLN 122 CO 0.02 -0.48 0.08 0.44 -0.55 0.00 0.00 175.29 174.81 3mmy n ILE 123 N 2.69 0.00 -3.72 -2.34 -5.35 0.06 -4.85 119.36 105.85 3mmy n ILE 123 Ca 0.08 -0.37 -0.14 0.00 -0.27 0.00 0.00 62.75 62.05 3mmy n ILE 123 Cb 0.40 1.05 -0.08 0.00 -1.74 0.00 0.00 39.64 39.27 3mmy n ILE 123 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mmy s ALA 124 N -0.59 -0.96 -0.01 -1.28 0.00 -1.13 -4.70 121.76 113.09 3mmy s ALA 124 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3mmy s ALA 124 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3mmy s ALA 124 CO 0.00 -0.26 -0.01 -1.14 0.00 0.00 0.00 175.76 174.35 3mmy s GLN 125 N -1.06 0.16 0.32 0.00 2.00 -1.26 -2.29 119.66 117.53 3mmy s GLN 125 Ca -0.11 -0.02 0.03 0.00 -2.00 0.00 0.00 55.36 53.27 3mmy s GLN 125 Cb -0.04 -0.21 -0.06 0.00 0.80 0.00 0.00 33.01 33.50 3mmy s GLN 125 CO 0.04 -0.01 0.07 -1.01 -0.50 0.00 0.00 175.29 173.88 3mmy s HIS 126 N 0.25 1.90 -2.36 1.67 3.76 0.29 -5.01 115.29 115.79 3mmy s HIS 126 Ca -0.02 -1.00 0.22 0.00 -0.15 0.00 0.00 55.06 54.10 3mmy s HIS 126 Cb -0.04 -1.23 0.55 0.00 1.11 0.00 0.00 32.58 32.97 3mmy s HIS 126 CO -0.01 -0.05 1.45 -0.25 -0.85 0.00 0.00 174.74 175.04 3mmy n ASP 127 N -0.69 2.67 -3.63 1.40 8.00 -1.26 -4.83 116.55 118.21 3mmy n ASP 127 Ca -0.02 -1.88 -0.09 0.00 0.71 0.00 0.00 54.79 53.50 3mmy n ASP 127 Cb 0.66 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 3mmy n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mmy s ALA 128 N -1.61 -0.48 0.30 2.24 0.00 -1.26 -4.90 121.76 116.05 3mmy s ALA 128 Ca 0.35 -0.78 -0.27 0.00 0.00 0.00 0.00 51.96 51.26 3mmy s ALA 128 Cb 0.20 0.94 -0.14 0.00 0.00 0.00 0.00 23.12 24.12 3mmy s ALA 128 CO 0.29 -0.93 0.78 -2.30 0.00 0.00 0.00 175.76 173.61 3mmy n PRO 129 N -0.46 0.83 -3.19 0.00 -0.02 -1.26 -4.37 135.00 126.54 3mmy n PRO 129 Ca -0.03 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 3mmy n PRO 129 Cb 0.61 -1.55 -0.07 0.00 -0.02 0.00 0.00 33.50 32.46 3mmy n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mmy s VAL 130 N -1.13 5.00 -0.09 -1.45 1.01 -0.46 -2.05 120.40 121.22 3mmy s VAL 130 Ca 0.61 0.71 0.12 0.00 0.00 0.00 0.00 61.98 63.42 3mmy s VAL 130 Cb -0.74 -3.94 -0.24 0.00 0.00 0.00 0.00 36.38 31.47 3mmy s VAL 130 CO 0.58 -0.10 0.47 1.17 0.00 0.00 0.00 175.10 177.23 3mmy n LYS 131 N 5.75 0.66 -4.03 2.72 3.00 0.45 -3.58 118.16 123.13 3mmy n LYS 131 Ca -0.03 0.21 -0.11 0.00 -0.00 0.00 0.00 58.31 58.39 3mmy n LYS 131 Cb 0.49 -1.71 -0.11 0.00 0.00 0.00 0.00 35.03 33.70 3mmy n LYS 131 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3mmy s THR 132 N -2.57 0.33 -0.12 3.15 -4.23 -0.97 -4.30 115.64 106.94 3mmy s THR 132 Ca -0.08 -1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 59.29 3mmy s THR 132 Cb 0.07 -0.52 0.04 0.00 1.34 0.00 0.00 72.50 73.44 3mmy s THR 132 CO 0.82 -0.48 0.29 -0.51 -0.54 0.00 0.00 174.62 174.20 3mmy s ILE 133 N -1.60 -0.02 0.03 2.99 2.07 -1.26 -2.00 121.20 121.41 3mmy s ILE 133 Ca -0.11 0.08 -0.04 0.00 -1.41 0.00 0.00 60.65 59.17 3mmy s ILE 133 Cb -0.09 -0.43 -0.01 0.00 0.13 0.00 0.00 42.46 42.06 3mmy s ILE 133 CO -0.01 0.03 0.06 -1.00 -1.91 0.00 0.00 174.94 172.12 3mmy s HIS 134 N 0.88 0.21 -0.20 3.50 3.76 -0.10 -4.60 115.29 118.74 3mmy s HIS 134 Ca -0.06 -0.47 -0.08 0.00 -0.15 0.00 0.00 55.06 54.30 3mmy s HIS 134 Cb -0.07 -0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.43 3mmy s HIS 134 CO -0.06 -0.30 0.09 -0.46 -0.85 0.00 0.00 174.74 173.15 3mmy s TRP 135 N -2.15 3.26 -0.26 1.40 -0.11 -1.26 -0.23 118.94 119.59 3mmy s TRP 135 Ca -0.09 0.08 -0.05 0.00 1.22 0.00 0.00 56.10 57.26 3mmy s TRP 135 Cb -0.04 -2.13 0.01 0.00 -1.50 0.00 0.00 33.47 29.80 3mmy s TRP 135 CO -0.03 0.11 0.02 0.42 -4.62 0.00 0.00 176.95 172.85 3mmy s ILE 136 N 0.59 3.59 -0.44 5.86 1.01 0.54 -4.98 121.20 127.37 3mmy s ILE 136 Ca 0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 3mmy s ILE 136 Cb -0.13 -2.78 0.11 0.00 0.01 0.00 0.00 42.46 39.68 3mmy s ILE 136 CO 0.01 0.21 0.27 -0.75 0.00 0.00 0.00 174.94 174.69 3mmy s LYS 137 N 1.46 2.26 0.29 2.79 2.20 -1.26 -1.39 119.74 126.09 3mmy s LYS 137 Ca 0.03 -1.78 0.05 0.00 -0.36 0.00 0.00 55.97 53.91 3mmy s LYS 137 Cb -0.16 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.38 3mmy s LYS 137 CO -0.01 -1.12 0.43 0.00 -0.36 0.00 0.00 175.35 174.29 3mmy s ALA 138 N 1.26 4.00 0.44 3.13 0.00 0.32 -4.93 121.76 125.98 3mmy s ALA 138 Ca 0.07 -1.27 0.11 0.00 0.00 0.00 0.00 51.96 50.87 3mmy s ALA 138 Cb -0.24 -1.77 1.00 0.00 0.00 0.00 0.00 23.12 22.10 3mmy s ALA 138 CO -0.02 0.10 2.06 -1.00 0.00 0.00 0.00 175.76 176.89 3mmy h PRO 139 N 1.00 0.38 0.00 0.00 0.13 -1.98 -3.22 132.00 128.32 3mmy h PRO 139 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3mmy h PRO 139 Cb 1.24 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3mmy h PRO 139 CO 0.58 0.25 -1.51 0.27 -0.23 0.00 0.00 178.00 177.36 3mmy n ASN 140 N -4.48 0.62 -3.85 1.44 6.94 -1.26 -5.03 115.26 109.65 3mmy n ASN 140 Ca 0.03 -0.38 -0.09 0.00 -0.02 0.00 0.00 54.58 54.11 3mmy n ASN 140 Cb 0.15 1.55 -0.05 0.00 -2.36 0.00 0.00 39.78 39.06 3mmy n ASN 140 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3mmy s TYR 141 N -3.16 0.13 -0.02 -2.53 1.13 -1.21 -5.15 117.35 106.52 3mmy s TYR 141 Ca -0.01 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.17 3mmy s TYR 141 Cb 0.14 0.19 0.02 0.00 -1.10 0.00 0.00 41.96 41.21 3mmy s TYR 141 CO 0.82 -0.84 -0.00 -1.12 -2.51 0.00 0.00 175.55 171.89 3mmy s SER 142 N -2.92 0.34 0.24 -0.18 0.01 -1.26 -0.52 113.70 109.41 3mmy s SER 142 Ca 0.13 -0.02 -0.17 0.00 1.31 0.00 0.00 55.95 57.20 3mmy s SER 142 Cb 0.01 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.10 3mmy s SER 142 CO -0.01 -0.07 0.56 0.00 0.41 0.00 0.00 173.24 174.14 3mmy s VAL 144 N -3.95 5.38 -0.17 0.00 1.01 -0.16 -0.34 120.40 122.18 3mmy s VAL 144 Ca 0.15 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 3mmy s VAL 144 Cb -0.02 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3mmy s VAL 144 CO 0.05 0.56 -0.07 -0.32 0.00 0.00 0.00 175.10 175.31 3mmy s MET 145 N -0.65 3.48 -0.01 2.72 0.00 0.68 -0.57 119.30 124.95 3mmy s MET 145 Ca 0.16 -0.61 0.07 0.00 0.00 0.00 0.00 55.69 55.31 3mmy s MET 145 Cb -0.13 -2.84 -0.02 0.00 0.00 0.00 0.00 34.83 31.84 3mmy s MET 145 CO 0.05 0.10 -0.22 0.99 0.00 0.00 0.00 175.02 175.93 3mmy s THR 146 N 0.70 2.38 -0.04 10.11 2.01 0.25 -0.92 115.64 130.13 3mmy s THR 146 Ca -0.04 -1.07 0.06 0.00 0.31 0.00 0.00 61.69 60.94 3mmy s THR 146 Cb -0.15 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 3mmy s THR 146 CO 0.02 0.52 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.44 3mmy s GLY 147 N -0.84 1.06 0.15 4.40 0.00 -0.85 -0.84 107.32 110.40 3mmy s GLY 147 Ca 0.11 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 44.02 3mmy s GLY 147 CO 0.01 -0.57 -0.10 -0.45 0.00 0.00 0.00 173.10 171.99 3mmy s SER 148 N -0.19 1.83 0.00 1.64 0.15 -0.82 -0.41 113.70 115.90 3mmy s SER 148 Ca 0.00 -1.00 0.16 0.00 0.70 0.00 0.00 55.95 55.81 3mmy s SER 148 Cb -0.11 -0.02 0.85 0.00 -1.71 0.00 0.00 66.02 65.03 3mmy s SER 148 CO 0.02 -0.31 1.40 0.79 1.20 0.00 0.00 173.24 176.33 3mmy n TRP 149 N -0.15 0.00 1.78 3.44 8.01 -0.87 -1.95 117.44 127.70 3mmy n TRP 149 Ca -0.10 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.15 3mmy n TRP 149 Cb 0.60 -0.17 0.31 0.00 -2.01 0.00 0.00 31.31 30.04 3mmy n TRP 149 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 3mmy n ASP 150 N -1.17 0.42 -0.70 -0.99 5.68 -1.26 -4.71 116.55 113.82 3mmy n ASP 150 Ca 0.09 -1.71 -0.07 0.00 -0.50 0.00 0.00 54.79 52.60 3mmy n ASP 150 Cb 0.09 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.02 3mmy n ASP 150 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3mmy n LYS 151 N -0.41 -0.55 -4.33 0.11 5.02 -0.84 -4.99 118.16 112.18 3mmy n LYS 151 Ca 0.09 0.56 -0.19 0.00 -2.02 0.00 0.00 58.31 56.75 3mmy n LYS 151 Cb 0.10 -4.42 -0.11 0.00 -0.02 0.00 0.00 35.03 30.59 3mmy n LYS 151 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mmy s THR 152 N -2.32 1.71 -0.15 -0.18 -4.23 -1.25 0.18 115.64 109.40 3mmy s THR 152 Ca 0.00 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3mmy s THR 152 Cb 0.00 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.94 3mmy s THR 152 CO 0.00 -0.48 -0.21 -0.22 -0.54 0.00 0.00 174.62 173.18 3mmy s LEU 153 N -2.98 2.17 0.16 4.79 2.96 -0.03 -1.94 118.68 123.81 3mmy s LEU 153 Ca 0.18 -0.59 0.09 0.00 -0.22 0.00 0.00 54.13 53.60 3mmy s LEU 153 Cb -0.03 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 3mmy s LEU 153 CO 0.06 0.07 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.43 3mmy s LYS 154 N 0.86 1.31 -0.07 1.98 1.02 -0.02 -0.43 119.74 124.40 3mmy s LYS 154 Ca -0.06 -1.40 0.03 0.00 0.02 0.00 0.00 55.97 54.56 3mmy s LYS 154 Cb -0.15 -1.46 0.01 0.00 -0.52 0.00 0.00 37.83 35.70 3mmy s LYS 154 CO -0.03 0.31 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.51 3mmy s PHE 155 N -1.84 1.62 -0.03 3.18 0.08 -0.74 -0.59 117.98 119.66 3mmy s PHE 155 Ca 0.16 -0.59 0.03 0.00 0.12 0.00 0.00 56.93 56.65 3mmy s PHE 155 Cb -0.07 -1.15 -0.00 0.00 -0.57 0.00 0.00 43.02 41.23 3mmy s PHE 155 CO 0.07 -0.28 -0.13 -1.58 -0.10 0.00 0.00 175.22 173.21 3mmy s TRP 156 N 0.53 1.26 -1.79 0.36 0.52 0.26 0.53 118.94 120.61 3mmy s TRP 156 Ca -0.13 -0.32 0.29 0.00 0.02 0.00 0.00 56.10 55.95 3mmy s TRP 156 Cb -0.15 -0.86 1.34 0.00 -1.15 0.00 0.00 33.47 32.64 3mmy s TRP 156 CO 0.04 -0.11 1.92 -0.40 0.02 0.00 0.00 176.95 178.42 3mmy n ASP 157 N 3.17 0.48 0.00 2.95 5.68 -1.26 -0.99 116.55 126.58 3mmy n ASP 157 Ca -0.18 -0.73 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 3mmy n ASP 157 Cb 0.54 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 3mmy n ASP 157 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3mmy n THR 158 N -0.85 0.00 -0.07 2.12 -2.24 -1.26 -4.81 114.28 107.17 3mmy n THR 158 Ca 0.17 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.82 3mmy n THR 158 Cb 0.26 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 3mmy n THR 158 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mmy n ARG 159 N -2.00 0.31 -3.93 -0.78 1.74 -1.26 -4.94 116.66 105.79 3mmy n ARG 159 Ca 0.00 0.10 -0.32 0.00 -0.77 0.00 0.00 57.85 56.87 3mmy n ARG 159 Cb 0.00 -1.11 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 3mmy n ARG 159 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3mmy s SER 160 N -5.80 6.28 0.00 0.55 0.15 -1.26 -5.01 113.70 108.61 3mmy s SER 160 Ca -0.18 0.27 0.29 0.00 0.70 0.00 0.00 55.95 57.03 3mmy s SER 160 Cb 0.06 -1.93 1.24 0.00 -1.71 0.00 0.00 66.02 63.68 3mmy s SER 160 CO 0.27 0.21 1.87 -1.54 1.20 0.00 0.00 173.24 175.24 3mmy n SER 161 N 0.56 0.43 -4.70 5.45 3.41 -1.26 -4.70 113.62 112.82 3mmy n SER 161 Ca -0.08 -0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 57.61 3mmy n SER 161 Cb 0.52 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 3mmy n SER 161 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3mmy s ASN 162 N -2.49 6.82 0.38 4.04 0.01 -1.26 -4.89 114.94 117.55 3mmy s ASN 162 Ca 0.29 0.99 -0.28 0.00 -0.71 0.00 0.00 52.86 53.15 3mmy s ASN 162 Cb 0.20 -2.37 -0.10 0.00 0.41 0.00 0.00 41.25 39.39 3mmy s ASN 162 CO 0.48 -0.15 1.40 -2.16 -1.51 0.00 0.00 177.10 175.16 3mmy s PRO 163 N 1.17 4.11 0.24 -0.60 0.04 -1.26 -4.81 135.00 133.89 3mmy s PRO 163 Ca 0.32 2.39 0.24 0.00 0.04 0.00 0.00 61.00 64.00 3mmy s PRO 163 Cb -0.16 -2.93 0.93 0.00 0.04 0.00 0.00 34.50 32.37 3mmy s PRO 163 CO 0.14 -0.46 1.73 0.00 0.04 0.00 0.00 177.00 178.45 3mmy n MET 164 N 0.43 0.21 -3.59 4.56 0.00 0.19 -4.81 117.12 114.11 3mmy n MET 164 Ca 0.02 0.35 -0.11 0.00 0.00 0.00 0.00 57.70 57.96 3mmy n MET 164 Cb 0.41 -1.84 -0.06 0.00 0.00 0.00 0.00 33.22 31.73 3mmy n MET 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 3mmy s MET 165 N -3.24 0.60 -0.12 3.17 -2.45 -1.22 -5.00 119.30 111.04 3mmy s MET 165 Ca 0.06 0.28 -0.00 0.00 -1.25 0.00 0.00 55.69 54.78 3mmy s MET 165 Cb 0.10 0.29 0.03 0.00 1.25 0.00 0.00 34.83 36.50 3mmy s MET 165 CO 0.46 -0.16 -0.07 0.08 1.05 0.00 0.00 175.02 176.38 3mmy s VAL 166 N -0.74 1.02 -0.09 10.11 1.01 -1.26 -1.79 120.40 128.66 3mmy s VAL 166 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 3mmy s VAL 166 Cb -0.02 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3mmy s VAL 166 CO 0.00 0.31 -0.05 -0.76 0.00 0.00 0.00 175.10 174.60 3mmy s LEU 167 N 1.70 3.28 0.04 3.92 1.43 0.43 -4.98 118.68 124.51 3mmy s LEU 167 Ca 0.04 -0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.89 3mmy s LEU 167 Cb -0.13 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3mmy s LEU 167 CO -0.08 0.32 0.73 -1.58 0.23 0.00 0.00 176.35 175.97 3mmy s GLN 168 N -0.56 4.46 0.09 1.70 2.00 -1.26 -0.85 119.66 125.24 3mmy s GLN 168 Ca 0.09 1.00 0.02 0.00 -2.00 0.00 0.00 55.36 54.46 3mmy s GLN 168 Cb -0.12 -3.36 -0.04 0.00 0.80 0.00 0.00 33.01 30.30 3mmy s GLN 168 CO 0.02 0.30 0.20 -0.51 -0.50 0.00 0.00 175.29 174.80 3mmy s LEU 169 N -0.09 4.21 0.52 3.68 1.43 0.13 -4.91 118.68 123.65 3mmy s LEU 169 Ca 0.37 0.17 0.35 0.00 -1.03 0.00 0.00 54.13 53.98 3mmy s LEU 169 Cb -0.20 -2.82 1.69 0.00 0.03 0.00 0.00 46.19 44.89 3mmy s LEU 169 CO 0.22 0.13 2.05 1.55 0.23 0.00 0.00 176.35 180.53 3mmy h PRO 170 N 2.84 0.00 -2.66 1.29 0.13 -1.97 -3.46 132.00 128.17 3mmy h PRO 170 Ca -0.46 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.79 3mmy h PRO 170 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3mmy h PRO 170 CO 0.71 0.00 0.52 -1.21 -0.23 0.00 0.00 178.00 177.80 3mmy s GLU 171 N -3.78 1.53 0.23 0.86 0.41 -1.26 -5.04 118.70 111.65 3mmy s GLU 171 Ca -0.01 -0.99 -0.32 0.00 -0.41 0.00 0.00 54.97 53.24 3mmy s GLU 171 Cb 0.10 0.42 -0.12 0.00 -1.78 0.00 0.00 34.13 32.75 3mmy s GLU 171 CO 0.43 -0.72 1.61 0.54 -0.49 0.00 0.00 175.26 176.63 3mmy n ARG 172 N -0.68 2.53 -1.98 1.61 1.74 -1.26 -4.53 116.66 114.07 3mmy n ARG 172 Ca -0.04 0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 57.52 3mmy n ARG 172 Cb 0.59 -2.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.32 3mmy n ARG 172 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mmy n TYR 174 N 7.08 0.00 -3.58 0.00 4.02 -0.09 -4.48 117.16 120.11 3mmy n TYR 174 Ca 0.17 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.99 3mmy n TYR 174 Cb 0.43 -0.92 -0.02 0.00 -0.02 0.00 0.00 39.34 38.81 3mmy n TYR 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mmy s ALA 176 N -3.24 -1.64 0.04 0.00 0.00 -1.26 -0.69 121.76 114.96 3mmy s ALA 176 Ca 0.07 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.56 3mmy s ALA 176 Cb -0.01 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 3mmy s ALA 176 CO -0.06 -0.74 0.17 0.34 0.00 0.00 0.00 175.76 175.47 3mmy s ASP 177 N -2.63 0.08 -0.06 0.00 2.15 -0.40 -4.83 116.67 110.99 3mmy s ASP 177 Ca 0.01 -0.44 -0.01 0.00 0.43 0.00 0.00 52.55 52.55 3mmy s ASP 177 Cb -0.01 0.28 0.03 0.00 -0.30 0.00 0.00 42.92 42.91 3mmy s ASP 177 CO -0.11 -0.56 -0.00 -0.69 -0.17 0.00 0.00 175.17 173.64 3mmy s VAL 178 N -2.69 0.35 -0.27 1.11 1.01 -1.26 -1.11 120.40 117.53 3mmy s VAL 178 Ca -0.04 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3mmy s VAL 178 Cb -0.01 -0.48 0.08 0.00 0.00 0.00 0.00 36.38 35.98 3mmy s VAL 178 CO -0.05 0.23 0.05 -0.63 0.00 0.00 0.00 175.10 174.70 3mmy s ILE 179 N 1.65 1.00 0.21 2.22 1.01 -0.27 -5.02 121.20 122.00 3mmy s ILE 179 Ca -0.00 -1.21 -0.31 0.00 0.00 0.00 0.00 60.65 59.13 3mmy s ILE 179 Cb -0.13 -1.59 -0.15 0.00 0.01 0.00 0.00 42.46 40.59 3mmy s ILE 179 CO -0.04 -0.44 1.04 0.00 0.00 0.00 0.00 174.94 175.50 3mmy n TYR 180 N 4.83 1.07 0.07 3.97 9.36 -1.26 -0.32 117.16 134.88 3mmy n TYR 180 Ca -0.05 0.73 -0.04 0.00 3.32 0.00 0.00 57.90 61.86 3mmy n TYR 180 Cb 0.44 -2.23 0.13 0.00 -0.63 0.00 0.00 39.34 37.05 3mmy n TYR 180 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3mmy n PRO 181 N 1.33 2.11 -5.10 2.98 -0.04 -1.26 -4.78 135.00 130.24 3mmy n PRO 181 Ca 0.14 -1.38 -0.32 0.00 -0.04 0.00 0.00 63.50 61.90 3mmy n PRO 181 Cb 0.26 -1.68 -0.15 0.00 -0.04 0.00 0.00 33.50 31.90 3mmy n PRO 181 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3mmy s MET 182 N -1.62 2.37 0.05 0.54 1.75 0.56 -1.05 119.30 121.90 3mmy s MET 182 Ca 0.25 -0.82 0.05 0.00 -1.25 0.00 0.00 55.69 53.92 3mmy s MET 182 Cb 0.20 -2.22 -0.02 0.00 2.84 0.00 0.00 34.83 35.63 3mmy s MET 182 CO 0.06 0.56 -0.14 0.00 -0.65 0.00 0.00 175.02 174.85 3mmy s ALA 183 N -0.59 1.13 -0.04 4.11 0.00 -0.65 -1.11 121.76 124.60 3mmy s ALA 183 Ca 0.09 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3mmy s ALA 183 Cb -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.87 3mmy s ALA 183 CO 0.00 0.19 -0.12 0.08 0.00 0.00 0.00 175.76 175.92 3mmy s VAL 184 N -0.96 1.05 -0.04 0.00 1.01 -0.27 -0.21 120.40 120.99 3mmy s VAL 184 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3mmy s VAL 184 Cb -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3mmy s VAL 184 CO 0.01 0.32 -0.13 -0.69 0.00 0.00 0.00 175.10 174.62 3mmy s VAL 185 N 0.29 1.10 -0.04 2.92 1.01 0.29 -1.28 120.40 124.68 3mmy s VAL 185 Ca -0.07 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3mmy s VAL 185 Cb -0.11 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3mmy s VAL 185 CO 0.02 0.33 -0.13 0.00 0.00 0.00 0.00 175.10 175.32 3mmy s ALA 186 N 0.21 2.73 0.40 5.51 0.00 0.13 -1.12 121.76 129.62 3mmy s ALA 186 Ca -0.05 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 50.96 3mmy s ALA 186 Cb -0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 3mmy s ALA 186 CO 0.02 0.56 0.07 0.95 0.00 0.00 0.00 175.76 177.36 3mmy s THR 187 N -0.77 1.00 0.95 0.00 -4.23 -0.11 -0.91 115.64 111.57 3mmy s THR 187 Ca 0.12 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.52 3mmy s THR 187 Cb -0.11 -2.52 0.14 0.00 1.34 0.00 0.00 72.50 71.35 3mmy s THR 187 CO 0.01 0.00 0.99 0.00 -0.54 0.00 0.00 174.62 175.08 3mmy n ALA 188 N -0.90 -1.39 -3.04 3.99 0.00 -0.12 -3.05 120.51 116.01 3mmy n ALA 188 Ca -0.07 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 3mmy n ALA 188 Cb 0.66 -2.10 0.01 0.00 0.00 0.00 0.00 19.45 18.02 3mmy n ALA 188 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mmy n GLU 189 N -3.85 -3.82 -2.78 0.00 1.02 -1.26 -3.00 120.64 106.96 3mmy n GLU 189 Ca 0.10 0.72 -0.21 0.00 -0.02 0.00 0.00 57.16 57.74 3mmy n GLU 189 Cb 0.53 -5.48 0.01 0.00 -0.02 0.00 0.00 31.44 26.48 3mmy n GLU 189 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mmy n ARG 190 N -3.71 -3.49 -2.34 3.49 1.74 -1.20 -4.97 116.66 106.18 3mmy n ARG 190 Ca -0.09 0.91 -0.38 0.00 -0.77 0.00 0.00 57.85 57.52 3mmy n ARG 190 Cb 0.59 -5.68 -0.02 0.00 -1.02 0.00 0.00 32.46 26.33 3mmy n ARG 190 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3mmy s GLY 191 N -2.43 2.85 -0.22 -0.13 0.00 -1.16 -4.42 107.32 101.82 3mmy s GLY 191 Ca 0.18 0.92 -0.05 0.00 0.00 0.00 0.00 44.72 45.77 3mmy s GLY 191 CO 0.22 1.43 0.40 -2.27 0.00 0.00 0.00 173.10 172.88 3mmy s LEU 192 N -2.49 -0.65 -0.02 0.66 2.96 -1.26 -0.93 118.68 116.95 3mmy s LEU 192 Ca 0.57 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 3mmy s LEU 192 Cb -0.29 1.25 0.01 0.00 0.50 0.00 0.00 46.19 47.66 3mmy s LEU 192 CO 0.37 -0.26 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.47 3mmy s ILE 193 N 2.58 0.35 -0.11 6.68 1.01 -0.27 -1.07 121.20 130.37 3mmy s ILE 193 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 3mmy s ILE 193 Cb -0.14 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 3mmy s ILE 193 CO -0.14 0.14 -0.00 -0.69 0.00 0.00 0.00 174.94 174.25 3mmy s VAL 194 N 0.43 4.25 0.08 2.92 1.01 -0.09 -0.55 120.40 128.45 3mmy s VAL 194 Ca -0.05 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.76 3mmy s VAL 194 Cb -0.08 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3mmy s VAL 194 CO -0.01 0.57 -0.21 -0.31 0.00 0.00 0.00 175.10 175.15 3mmy s TYR 195 N -0.52 2.47 0.12 5.22 1.51 0.71 -0.06 117.35 126.79 3mmy s TYR 195 Ca 0.09 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 3mmy s TYR 195 Cb -0.12 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 3mmy s TYR 195 CO 0.02 0.28 0.22 1.14 -1.11 0.00 0.00 175.55 176.10 3mmy s GLN 196 N -1.70 3.30 0.00 -0.62 1.03 -0.16 -1.63 119.66 119.88 3mmy s GLN 196 Ca 0.15 -0.61 0.00 0.00 0.04 0.00 0.00 55.36 54.94 3mmy s GLN 196 Cb -0.10 -2.91 0.00 0.00 0.03 0.00 0.00 33.01 30.03 3mmy s GLN 196 CO 0.06 0.54 0.32 1.28 -2.54 0.00 0.00 175.29 174.96 3mmy n LEU 197 N -0.19 0.65 -4.75 2.60 4.77 -0.21 -1.46 117.00 118.40 3mmy n LEU 197 Ca -0.07 -0.72 -0.41 0.00 -0.03 0.00 0.00 56.01 54.78 3mmy n LEU 197 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 3mmy n LEU 197 CO 0.48 0.16 1.11 -1.61 -1.33 0.00 0.00 177.39 176.20 3mmy s GLU 198 N -0.14 4.25 0.00 3.23 2.02 -1.26 -3.83 118.70 122.97 3mmy s GLU 198 Ca 0.00 2.35 0.00 0.00 0.02 0.00 0.00 54.97 57.34 3mmy s GLU 198 Cb 0.00 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.15 3mmy s GLU 198 CO 0.00 -0.43 0.00 0.09 0.02 0.00 0.00 175.26 174.94 3mmy n ASN 199 N 2.01 0.00 -3.59 -0.19 3.02 -1.26 -4.59 115.26 110.65 3mmy n ASN 199 Ca 0.06 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.44 3mmy n ASN 199 Cb 0.40 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.50 3mmy n ASN 199 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mmy s GLN 200 N 0.00 0.95 0.26 3.52 -2.07 -1.25 -4.94 119.66 116.14 3mmy s GLN 200 Ca 0.00 0.11 -0.31 0.00 -1.82 0.00 0.00 55.36 53.34 3mmy s GLN 200 Cb 0.00 0.44 -0.12 0.00 -1.09 0.00 0.00 33.01 32.25 3mmy s GLN 200 CO 0.00 -0.29 1.66 -2.14 -1.32 0.00 0.00 175.29 173.19 3mmy s PRO 201 N -1.30 4.11 0.02 9.60 0.02 -1.26 -4.54 135.00 141.65 3mmy s PRO 201 Ca -0.11 2.61 -0.15 0.00 0.02 0.00 0.00 61.00 63.37 3mmy s PRO 201 Cb -0.01 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.49 3mmy s PRO 201 CO 0.08 -0.69 0.32 -1.54 -0.33 0.00 0.00 177.00 174.83 3mmy s SER 202 N 0.78 -0.17 0.24 2.53 1.04 -0.54 -5.01 113.70 112.57 3mmy s SER 202 Ca 0.68 -0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.76 3mmy s SER 202 Cb -0.49 0.34 -0.10 0.00 0.10 0.00 0.00 66.02 65.87 3mmy s SER 202 CO 0.42 -0.54 1.48 -0.70 0.98 0.00 0.00 173.24 174.87 3mmy s GLU 203 N -1.98 4.24 -0.16 4.02 2.12 -1.26 -0.98 118.70 124.69 3mmy s GLU 203 Ca -0.09 2.34 -0.04 0.00 0.36 0.00 0.00 54.97 57.55 3mmy s GLU 203 Cb -0.03 -3.11 -0.09 0.00 0.26 0.00 0.00 34.13 31.17 3mmy s GLU 203 CO 0.00 -0.48 -0.18 0.34 -0.54 0.00 0.00 175.26 174.41 3mmy n PHE 204 N 2.62 0.00 -3.67 5.30 7.35 0.91 -4.76 117.46 125.21 3mmy n PHE 204 Ca 0.08 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.66 3mmy n PHE 204 Cb 0.40 -0.60 -0.08 0.00 0.35 0.00 0.00 39.48 39.55 3mmy n PHE 204 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3mmy s ARG 205 N -2.31 0.64 -0.23 -4.13 3.52 -0.80 -5.00 118.95 110.64 3mmy s ARG 205 Ca -0.22 0.91 -0.13 0.00 -0.13 0.00 0.00 55.73 56.16 3mmy s ARG 205 Cb 0.07 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.64 3mmy s ARG 205 CO 0.32 -0.11 0.27 1.03 -0.81 0.00 0.00 175.30 176.00 3mmy s ARG 206 N 0.82 4.10 -0.13 5.12 0.52 -1.26 -0.91 118.95 127.22 3mmy s ARG 206 Ca -0.04 -0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.09 3mmy s ARG 206 Cb -0.05 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 3mmy s ARG 206 CO -0.07 -0.01 -0.10 0.42 0.02 0.00 0.00 175.30 175.56 3mmy s ILE 207 N 1.25 3.32 0.03 1.52 1.01 -0.23 -5.03 121.20 123.06 3mmy s ILE 207 Ca 0.12 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 3mmy s ILE 207 Cb -0.14 -2.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.85 3mmy s ILE 207 CO 0.06 0.52 1.56 -0.70 0.00 0.00 0.00 174.94 176.39 3mmy s GLU 208 N 0.23 4.22 0.22 2.79 2.56 -1.26 -4.23 118.70 123.23 3mmy s GLU 208 Ca -0.07 2.18 -0.32 0.00 0.00 0.00 0.00 54.97 56.77 3mmy s GLU 208 Cb -0.15 -3.64 -0.12 0.00 2.00 0.00 0.00 34.13 32.23 3mmy s GLU 208 CO 0.04 -0.69 1.67 0.45 -0.56 0.00 0.00 175.26 176.18 3mmy s SER 209 N 2.34 6.41 0.00 -1.70 0.15 -1.26 -4.87 113.70 114.77 3mmy s SER 209 Ca 0.70 2.84 0.14 0.00 0.70 0.00 0.00 55.95 60.33 3mmy s SER 209 Cb -0.36 -2.60 0.67 0.00 -1.71 0.00 0.00 66.02 62.01 3mmy s SER 209 CO 0.30 -0.94 1.37 -0.81 1.20 0.00 0.00 173.24 174.36 3mmy n PRO 210 N 3.67 0.16 -4.86 5.44 -0.04 -1.26 -4.74 135.00 133.37 3mmy n PRO 210 Ca 0.14 0.18 -0.31 0.00 -0.04 0.00 0.00 63.50 63.47 3mmy n PRO 210 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 3mmy n PRO 210 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mmy s LEU 211 N -2.64 2.37 0.00 1.53 1.43 -1.26 -4.98 118.68 115.13 3mmy s LEU 211 Ca 0.12 -0.48 0.26 0.00 -1.03 0.00 0.00 54.13 52.99 3mmy s LEU 211 Cb 0.09 -1.40 0.60 0.00 0.03 0.00 0.00 46.19 45.51 3mmy s LEU 211 CO 0.21 0.27 1.48 0.29 0.23 0.00 0.00 176.35 178.83 3mmy n LYS 212 N 1.81 1.45 -4.48 1.70 5.02 -1.26 -4.95 118.16 117.45 3mmy n LYS 212 Ca -0.17 -1.00 -0.23 0.00 -2.02 0.00 0.00 58.31 54.89 3mmy n LYS 212 Cb 0.52 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.95 3mmy n LYS 212 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3mmy s HIS 213 N -2.25 2.12 -0.04 2.13 3.76 -1.26 -5.09 115.29 114.66 3mmy s HIS 213 Ca 0.28 -0.67 -0.39 0.00 -0.15 0.00 0.00 55.06 54.13 3mmy s HIS 213 Cb 0.20 -1.26 -0.17 0.00 1.11 0.00 0.00 32.58 32.46 3mmy s HIS 213 CO 0.43 0.34 1.39 0.94 -0.85 0.00 0.00 174.74 176.99 3mmy n GLN 214 N -0.68 0.86 -2.51 1.40 7.27 -1.26 -4.71 117.38 117.76 3mmy n GLN 214 Ca -0.05 0.31 -0.38 0.00 0.07 0.00 0.00 57.00 56.96 3mmy n GLN 214 Cb 0.64 -1.93 -0.04 0.00 2.41 0.00 0.00 30.24 31.32 3mmy n GLN 214 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 3mmy s HIS 215 N 1.16 3.36 0.00 3.69 3.76 -1.26 -1.68 115.29 124.32 3mmy s HIS 215 Ca 0.90 1.66 0.00 0.00 -0.15 0.00 0.00 55.06 57.47 3mmy s HIS 215 Cb -1.07 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 29.43 3mmy s HIS 215 CO 0.55 -0.63 0.00 -2.13 -0.85 0.00 0.00 174.74 171.68 3mmy n ARG 216 N 0.35 0.00 -3.82 1.40 0.63 0.29 -4.86 116.66 110.65 3mmy n ARG 216 Ca 0.03 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.87 3mmy n ARG 216 Cb 0.48 -0.60 -0.07 0.00 0.45 0.00 0.00 32.46 32.71 3mmy n ARG 216 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mmy s VAL 218 N -3.53 0.01 -0.05 0.00 0.11 -1.26 -0.87 120.40 114.81 3mmy s VAL 218 Ca 0.02 -0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 3mmy s VAL 218 Cb 0.03 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.18 3mmy s VAL 218 CO -0.09 -0.05 0.13 0.00 -3.33 0.00 0.00 175.10 171.75 3mmy s ALA 219 N -0.28 -0.26 0.20 1.54 0.00 -0.43 -4.58 121.76 117.95 3mmy s ALA 219 Ca -0.04 0.50 -0.23 0.00 0.00 0.00 0.00 51.96 52.19 3mmy s ALA 219 Cb -0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 23.12 22.68 3mmy s ALA 219 CO 0.03 -0.11 0.77 0.42 0.00 0.00 0.00 175.76 176.87 3mmy s ILE 220 N 0.67 4.43 0.32 0.00 1.01 -1.26 -0.38 121.20 125.99 3mmy s ILE 220 Ca -0.05 1.55 0.09 0.00 0.00 0.00 0.00 60.65 62.24 3mmy s ILE 220 Cb -0.07 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 3mmy s ILE 220 CO -0.03 0.36 -0.11 0.72 0.00 0.00 0.00 174.94 175.88 3mmy s PHE 221 N -1.34 2.29 0.21 3.97 -0.12 -0.45 -4.87 117.98 117.67 3mmy s PHE 221 Ca 0.40 -0.50 0.09 0.00 -0.05 0.00 0.00 56.93 56.86 3mmy s PHE 221 Cb -0.20 -1.26 -0.04 0.00 -0.63 0.00 0.00 43.02 40.89 3mmy s PHE 221 CO 0.24 0.55 -0.06 0.15 -0.05 0.00 0.00 175.22 176.05 3mmy s LYS 222 N -3.61 2.17 0.39 1.99 1.02 -1.26 -1.09 119.74 119.35 3mmy s LYS 222 Ca 0.31 -1.30 -0.04 0.00 0.02 0.00 0.00 55.97 54.97 3mmy s LYS 222 Cb 0.01 -2.18 0.08 0.00 -0.52 0.00 0.00 37.83 35.23 3mmy s LYS 222 CO 0.15 0.42 0.53 -0.40 -0.92 0.00 0.00 175.35 175.13 3mmy n ASP 223 N -0.26 0.34 0.28 2.83 5.68 0.47 -4.83 116.55 121.05 3mmy n ASP 223 Ca -0.09 -1.37 0.14 0.00 -0.50 0.00 0.00 54.79 52.96 3mmy n ASP 223 Cb 0.56 -0.38 0.82 0.00 -1.14 0.00 0.00 41.12 40.98 3mmy n ASP 223 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3mmy h LYS 224 N 0.00 0.00 -0.32 0.11 3.64 -2.01 -0.31 116.57 117.67 3mmy h LYS 224 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3mmy h LYS 224 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3mmy h LYS 224 CO 0.15 0.06 0.00 1.04 -2.27 0.00 0.00 179.45 178.43 3mmy n GLN 225 N -3.80 1.86 -1.43 1.90 3.00 -1.26 -4.92 117.38 112.73 3mmy n GLN 225 Ca -0.02 -1.33 -0.09 0.00 -0.01 0.00 0.00 57.00 55.55 3mmy n GLN 225 Cb 0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 30.24 29.03 3mmy n GLN 225 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3mmy n ASN 226 N 0.56 -3.82 -4.78 1.08 5.15 -0.13 -5.03 115.26 108.29 3mmy n ASN 226 Ca 0.14 0.17 -0.35 0.00 -0.60 0.00 0.00 54.58 53.93 3mmy n ASN 226 Cb 0.33 -2.28 -0.08 0.00 -0.53 0.00 0.00 39.78 37.23 3mmy n ASN 226 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3mmy s LYS 227 N -3.06 3.18 0.25 1.20 1.02 -1.26 -4.82 119.74 116.25 3mmy s LYS 227 Ca 0.00 -0.32 -0.31 0.00 0.02 0.00 0.00 55.97 55.36 3mmy s LYS 227 Cb 0.00 -2.96 -0.12 0.00 -0.52 0.00 0.00 37.83 34.23 3mmy s LYS 227 CO 0.00 0.72 1.59 -0.35 -0.92 0.00 0.00 175.35 176.39 3mmy n PRO 228 N 1.85 2.53 0.00 -1.68 -0.04 -1.26 -0.40 135.00 136.00 3mmy n PRO 228 Ca -0.18 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3mmy n PRO 228 Cb 0.54 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 3mmy n PRO 228 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3mmy n THR 229 N 2.69 0.00 -1.27 0.52 5.66 -0.25 -4.83 114.28 116.80 3mmy n THR 229 Ca 0.12 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 3mmy n THR 229 Cb 0.34 1.21 0.00 0.00 -1.55 0.00 0.00 70.33 70.33 3mmy n THR 229 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3mmy n GLY 230 N 0.03 -1.31 3.32 1.09 0.00 -1.18 -0.97 105.19 106.15 3mmy n GLY 230 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 3mmy n GLY 230 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mmy s PHE 231 N -2.40 -0.13 0.01 1.61 -0.12 -0.11 -1.34 117.98 115.50 3mmy s PHE 231 Ca 0.00 -0.21 0.01 0.00 -0.05 0.00 0.00 56.93 56.68 3mmy s PHE 231 Cb 0.00 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 3mmy s PHE 231 CO 0.00 -0.70 0.04 0.00 -0.05 0.00 0.00 175.22 174.51 3mmy s ALA 232 N -3.82 3.43 -0.03 1.99 0.00 0.49 -1.19 121.76 122.62 3mmy s ALA 232 Ca 0.04 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 3mmy s ALA 232 Cb 0.02 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.74 3mmy s ALA 232 CO -0.11 0.68 0.04 -1.17 0.00 0.00 0.00 175.76 175.20 3mmy s LEU 233 N -1.78 0.88 0.07 0.00 2.96 -0.41 -1.32 118.68 119.08 3mmy s LEU 233 Ca 0.22 0.06 0.06 0.00 -0.22 0.00 0.00 54.13 54.25 3mmy s LEU 233 Cb -0.12 -0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.47 3mmy s LEU 233 CO 0.14 -0.15 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.10 3mmy s GLY 234 N 1.30 1.77 0.53 7.98 0.00 -0.05 -0.58 107.32 118.27 3mmy s GLY 234 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3mmy s GLY 234 CO -0.03 -1.09 0.04 -1.14 0.00 0.00 0.00 173.10 170.88 3mmy n SER 235 N 1.03 3.41 0.00 1.64 3.41 -0.95 -0.54 113.62 121.62 3mmy n SER 235 Ca -0.14 -3.29 0.10 0.00 -0.26 0.00 0.00 58.87 55.29 3mmy n SER 235 Cb 0.52 0.33 0.54 0.00 -0.26 0.00 0.00 64.21 65.35 3mmy n SER 235 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3mmy n ILE 236 N -1.36 0.30 -1.61 -1.33 -5.35 -0.68 -1.78 119.36 107.55 3mmy n ILE 236 Ca -0.20 0.07 -0.27 0.00 -0.27 0.00 0.00 62.75 62.08 3mmy n ILE 236 Cb 0.67 -0.73 0.07 0.00 -1.74 0.00 0.00 39.64 37.91 3mmy n ILE 236 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3mmy n GLU 237 N -1.24 2.94 -4.01 6.28 0.00 -1.26 -3.00 120.64 120.36 3mmy n GLU 237 Ca 0.11 -3.61 -0.28 0.00 0.00 0.00 0.00 57.16 53.38 3mmy n GLU 237 Cb 0.15 -2.23 -0.03 0.00 0.00 0.00 0.00 31.44 29.33 3mmy n GLU 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mmy n GLY 238 N -0.87 -0.29 3.28 8.31 0.00 0.14 -4.87 105.19 110.89 3mmy n GLY 238 Ca 0.52 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.60 3mmy n GLY 238 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mmy s ARG 239 N -6.72 0.58 -0.01 1.61 3.52 -1.26 -1.66 118.95 115.01 3mmy s ARG 239 Ca 0.06 0.24 0.05 0.00 -0.13 0.00 0.00 55.73 55.95 3mmy s ARG 239 Cb -0.03 0.27 -0.01 0.00 -1.56 0.00 0.00 34.95 33.62 3mmy s ARG 239 CO 0.91 -0.12 -0.16 0.08 -0.81 0.00 0.00 175.30 175.20 3mmy s VAL 240 N -0.49 1.24 -0.16 7.11 1.01 -0.30 -2.24 120.40 126.59 3mmy s VAL 240 Ca -0.06 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 3mmy s VAL 240 Cb -0.04 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3mmy s VAL 240 CO 0.03 0.35 0.02 0.00 0.00 0.00 0.00 175.10 175.49 3mmy s ALA 241 N -0.38 3.26 -0.24 5.51 0.00 0.25 -0.83 121.76 129.33 3mmy s ALA 241 Ca 0.06 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 3mmy s ALA 241 Cb -0.06 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 3mmy s ALA 241 CO -0.01 0.26 0.19 0.42 0.00 0.00 0.00 175.76 176.62 3mmy s ILE 242 N 0.15 5.34 -0.13 0.00 -1.09 0.59 -1.28 121.20 124.77 3mmy s ILE 242 Ca 0.02 0.23 -0.02 0.00 -2.23 0.00 0.00 60.65 58.64 3mmy s ILE 242 Cb -0.13 -3.52 0.04 0.00 -1.58 0.00 0.00 42.46 37.27 3mmy s ILE 242 CO 0.02 0.32 0.02 -2.28 -1.23 0.00 0.00 174.94 171.79 3mmy s HIS 243 N 1.18 0.77 0.16 3.97 2.46 -0.34 -1.87 115.29 121.63 3mmy s HIS 243 Ca 0.08 -0.46 -0.16 0.00 0.47 0.00 0.00 55.06 54.99 3mmy s HIS 243 Cb -0.14 -0.88 -0.07 0.00 -0.13 0.00 0.00 32.58 31.35 3mmy s HIS 243 CO 0.06 -0.46 0.59 0.71 -2.47 0.00 0.00 174.74 173.17 3mmy s TYR 244 N 1.94 3.63 0.04 3.88 1.51 -1.26 -0.93 117.35 126.15 3mmy s TYR 244 Ca 0.02 1.15 -0.19 0.00 -1.01 0.00 0.00 57.07 57.04 3mmy s TYR 244 Cb -0.15 -2.44 -0.16 0.00 -0.11 0.00 0.00 41.96 39.11 3mmy s TYR 244 CO -0.07 0.42 1.29 0.82 -1.11 0.00 0.00 175.55 176.90 3mmy h ILE 245 N 2.83 1.37 -2.02 2.71 1.08 -1.42 -3.40 117.51 118.66 3mmy h ILE 245 Ca -0.48 -1.54 -0.53 0.00 -0.39 0.00 0.00 64.86 61.92 3mmy h ILE 245 Cb 1.19 2.02 -0.40 0.00 -3.07 0.00 0.00 36.82 36.57 3mmy h ILE 245 CO 0.65 0.46 -1.10 0.59 -0.69 0.00 0.00 178.15 178.06 3mmy n ASN 246 N -4.42 0.85 -4.85 1.72 3.02 -1.26 -5.11 115.26 105.21 3mmy n ASN 246 Ca -0.07 -2.92 -0.32 0.00 -0.03 0.00 0.00 54.58 51.25 3mmy n ASN 246 Cb 0.46 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 3mmy n ASN 246 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3mmy s PRO 247 N -1.91 3.83 0.54 3.52 0.04 -1.26 -4.97 135.00 134.79 3mmy s PRO 247 Ca 0.38 0.87 0.30 0.00 0.04 0.00 0.00 61.00 62.59 3mmy s PRO 247 Cb 0.25 -2.13 1.53 0.00 0.04 0.00 0.00 34.50 34.19 3mmy s PRO 247 CO -0.09 -0.35 2.08 -1.35 0.04 0.00 0.00 177.00 177.33 3mmy h PRO 248 N 0.55 0.00 -1.88 0.56 0.11 -2.00 -3.37 132.00 125.97 3mmy h PRO 248 Ca -0.46 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.18 3mmy h PRO 248 Cb 1.19 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.97 3mmy h PRO 248 CO 0.62 0.10 -0.87 -1.71 -0.21 0.00 0.00 178.00 175.92 3mmy n ASN 249 N -3.49 -1.13 -0.32 -2.05 2.85 -1.26 -5.03 115.26 104.82 3mmy n ASN 249 Ca -0.02 -2.59 0.11 0.00 -0.11 0.00 0.00 54.58 51.97 3mmy n ASN 249 Cb 0.24 0.05 0.29 0.00 1.24 0.00 0.00 39.78 41.59 3mmy n ASN 249 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mmy h PRO 250 N 5.12 0.62 0.00 1.20 0.11 -1.97 0.24 132.00 137.31 3mmy h PRO 250 Ca 0.17 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 3mmy h PRO 250 Cb 0.95 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3mmy h PRO 250 CO 0.31 0.41 -0.21 0.00 -0.21 0.00 0.00 178.00 178.30 3mmy h ALA 251 N 1.63 1.39 0.00 -0.75 0.00 -1.96 -1.56 119.26 118.01 3mmy h ALA 251 Ca 0.54 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.92 3mmy h ALA 251 Cb 0.85 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3mmy h ALA 251 CO -0.41 0.26 -2.27 0.36 0.00 0.00 0.00 179.25 177.19 3mmy n LYS 252 N -3.90 0.86 0.09 0.00 2.85 -0.53 -4.61 118.16 112.92 3mmy n LYS 252 Ca -0.02 0.05 -0.06 0.00 -1.05 0.00 0.00 58.31 57.23 3mmy n LYS 252 Cb 0.30 -1.46 0.01 0.00 -0.65 0.00 0.00 35.03 33.22 3mmy n LYS 252 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3mmy h ASP 253 N 0.00 0.13 -3.26 -5.58 3.32 -0.51 -3.42 116.42 107.10 3mmy h ASP 253 Ca -0.50 -0.11 -0.58 0.00 0.02 0.00 0.00 57.03 55.86 3mmy h ASP 253 Cb 1.98 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 41.42 3mmy h ASP 253 CO -0.02 0.91 -0.14 0.20 -1.72 0.00 0.00 179.24 178.48 3mmy s ASN 254 N -6.86 6.75 0.19 6.45 0.01 -0.59 -4.78 114.94 116.10 3mmy s ASN 254 Ca -0.02 0.89 -0.15 0.00 -0.71 0.00 0.00 52.86 52.87 3mmy s ASN 254 Cb 0.11 -2.29 0.02 0.00 0.41 0.00 0.00 41.25 39.50 3mmy s ASN 254 CO 0.81 0.09 0.45 0.72 -1.51 0.00 0.00 177.10 177.66 3mmy s PHE 255 N 0.13 0.04 0.30 2.20 -0.12 -0.78 -4.80 117.98 114.95 3mmy s PHE 255 Ca 0.26 -0.39 0.11 0.00 -0.05 0.00 0.00 56.93 56.85 3mmy s PHE 255 Cb -0.16 0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.44 3mmy s PHE 255 CO 0.12 -0.86 -0.11 0.95 -0.05 0.00 0.00 175.22 175.27 3mmy s THR 256 N -3.90 2.64 0.01 -4.49 -4.23 -1.26 -0.30 115.64 104.10 3mmy s THR 256 Ca 0.12 -2.20 -0.07 0.00 -1.18 0.00 0.00 61.69 58.36 3mmy s THR 256 Cb 0.00 -2.55 -0.00 0.00 1.34 0.00 0.00 72.50 71.29 3mmy s THR 256 CO -0.02 -0.32 0.12 0.72 -0.54 0.00 0.00 174.62 174.58 3mmy s PHE 257 N -2.50 0.06 0.28 3.99 -0.71 -0.01 -4.98 117.98 114.13 3mmy s PHE 257 Ca 0.32 -0.18 -0.15 0.00 -1.04 0.00 0.00 56.93 55.88 3mmy s PHE 257 Cb -0.03 -0.06 -0.08 0.00 -1.21 0.00 0.00 43.02 41.63 3mmy s PHE 257 CO 0.17 -0.28 0.70 0.15 -1.34 0.00 0.00 175.22 174.61 3mmy s LYS 258 N -1.42 4.01 0.26 1.99 1.02 -1.26 -1.14 119.74 123.19 3mmy s LYS 258 Ca -0.15 0.63 -0.21 0.00 0.02 0.00 0.00 55.97 56.26 3mmy s LYS 258 Cb -0.08 -2.55 0.03 0.00 -0.52 0.00 0.00 37.83 34.71 3mmy s LYS 258 CO 0.01 0.23 0.76 0.00 -0.92 0.00 0.00 175.35 175.43 3mmy n HIS 260 N -0.46 -2.19 -4.31 0.00 8.25 -1.26 -4.27 115.22 110.97 3mmy n HIS 260 Ca -0.04 0.90 -0.24 0.00 -0.26 0.00 0.00 57.72 58.07 3mmy n HIS 260 Cb 0.59 -4.45 -0.12 0.00 1.12 0.00 0.00 29.99 27.13 3mmy n HIS 260 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3mmy s ARG 261 N -6.13 1.19 -0.17 -0.41 0.52 -1.26 -1.78 118.95 110.91 3mmy s ARG 261 Ca 0.28 -1.24 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 3mmy s ARG 261 Cb -0.13 -1.45 0.02 0.00 0.52 0.00 0.00 34.95 33.91 3mmy s ARG 261 CO 0.80 0.33 -0.19 -1.12 0.02 0.00 0.00 175.30 175.14 3mmy s SER 262 N -2.09 3.02 0.00 0.23 0.01 -0.48 -4.98 113.70 109.41 3mmy s SER 262 Ca 0.09 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.75 3mmy s SER 262 Cb -0.09 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.73 3mmy s SER 262 CO 0.05 -0.00 0.00 0.59 0.41 0.00 0.00 173.24 174.29 3mmy n ASN 263 N 4.59 0.00 0.00 2.44 4.13 -1.26 -1.46 115.26 123.70 3mmy n ASN 263 Ca -0.20 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.16 3mmy n ASN 263 Cb 0.50 0.00 0.60 0.00 -1.54 0.00 0.00 39.78 39.34 3mmy n ASN 263 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3mmy n SER 268 N 0.00 0.00 -4.72 6.41 2.88 -1.26 -5.07 113.62 111.86 3mmy n SER 268 Ca 0.00 -0.54 -0.29 0.00 -1.33 0.00 0.00 58.87 56.71 3mmy n SER 268 Cb 0.00 -0.05 0.15 0.00 -0.75 0.00 0.00 64.21 63.56 3mmy n SER 268 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mmy s ALA 269 N -2.10 1.38 0.62 -1.46 0.00 -1.26 -4.99 121.76 113.94 3mmy s ALA 269 Ca 0.29 -0.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.75 3mmy s ALA 269 Cb 0.14 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 3mmy s ALA 269 CO 0.25 -2.51 1.28 -2.14 0.00 0.00 0.00 175.76 172.65 3mmy s PRO 270 N -5.04 2.75 -0.10 0.00 0.02 -1.26 -4.97 135.00 126.40 3mmy s PRO 270 Ca 0.64 2.03 -0.27 0.00 0.02 0.00 0.00 61.00 63.42 3mmy s PRO 270 Cb -0.17 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 3mmy s PRO 270 CO 0.56 -1.43 0.88 -1.14 -0.33 0.00 0.00 177.00 175.54 3mmy s GLN 271 N -3.29 4.40 -0.04 5.54 0.74 -1.26 -4.92 119.66 120.84 3mmy s GLN 271 Ca 0.80 1.16 -0.26 0.00 0.05 0.00 0.00 55.36 57.11 3mmy s GLN 271 Cb -0.36 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 3mmy s GLN 271 CO 0.39 -0.20 0.80 -0.51 -0.55 0.00 0.00 175.29 175.22 3mmy s ASP 272 N 1.04 7.13 -0.16 6.67 1.01 -0.54 -4.92 116.67 126.92 3mmy s ASP 272 Ca 0.43 1.37 -0.05 0.00 0.71 0.00 0.00 52.55 55.02 3mmy s ASP 272 Cb -0.18 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 3mmy s ASP 272 CO 0.18 -0.16 -0.01 -0.63 0.21 0.00 0.00 175.17 174.76 3mmy s ILE 273 N 0.82 4.17 0.26 0.77 1.01 -1.26 -1.38 121.20 125.59 3mmy s ILE 273 Ca 0.43 -0.26 0.11 0.00 0.00 0.00 0.00 60.65 60.92 3mmy s ILE 273 Cb -0.19 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 3mmy s ILE 273 CO 0.22 0.50 -0.18 -0.31 0.00 0.00 0.00 174.94 175.16 3mmy s TYR 274 N 0.25 2.11 0.41 3.97 1.51 -0.74 -4.88 117.35 119.97 3mmy s TYR 274 Ca -0.01 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.39 3mmy s TYR 274 Cb -0.13 -0.93 -0.08 0.00 -0.11 0.00 0.00 41.96 40.70 3mmy s TYR 274 CO 0.02 0.60 1.17 0.00 -1.11 0.00 0.00 175.55 176.24 3mmy s ALA 275 N -2.66 3.14 -0.32 3.71 0.00 -1.16 -0.68 121.76 123.78 3mmy s ALA 275 Ca 0.28 0.97 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 3mmy s ALA 275 Cb -0.04 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 3mmy s ALA 275 CO 0.12 -0.55 0.65 0.08 0.00 0.00 0.00 175.76 176.07 3mmy s VAL 276 N -1.42 4.90 -0.12 0.00 1.01 -0.73 -0.81 120.40 123.22 3mmy s VAL 276 Ca 0.58 0.81 0.16 0.00 0.00 0.00 0.00 61.98 63.53 3mmy s VAL 276 Cb -0.31 -4.04 -0.23 0.00 0.00 0.00 0.00 36.38 31.80 3mmy s VAL 276 CO 0.38 -0.21 0.42 0.59 0.00 0.00 0.00 175.10 176.28 3mmy n ASN 277 N 5.98 0.42 -3.72 3.32 3.02 0.15 -4.48 115.26 119.94 3mmy n ASN 277 Ca -0.00 0.19 -0.12 0.00 -0.03 0.00 0.00 54.58 54.62 3mmy n ASN 277 Cb 0.49 0.61 -0.07 0.00 -0.61 0.00 0.00 39.78 40.20 3mmy n ASN 277 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3mmy s GLY 278 N -5.17 -0.18 -0.12 7.41 0.00 -1.11 -4.76 107.32 103.40 3mmy s GLY 278 Ca -0.07 0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.71 3mmy s GLY 278 CO 0.83 -0.09 0.29 -1.50 0.00 0.00 0.00 173.10 172.63 3mmy s ILE 279 N -2.44 -0.02 -0.08 0.90 2.07 -1.26 -1.69 121.20 118.68 3mmy s ILE 279 Ca -0.06 0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.16 3mmy s ILE 279 Cb -0.01 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.18 3mmy s ILE 279 CO -0.02 0.03 0.24 0.00 -1.91 0.00 0.00 174.94 173.28 3mmy s ALA 280 N 0.73 -0.60 0.00 1.50 0.00 -0.34 -4.69 121.76 118.36 3mmy s ALA 280 Ca -0.05 0.58 -0.10 0.00 0.00 0.00 0.00 51.96 52.40 3mmy s ALA 280 Cb -0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3mmy s ALA 280 CO -0.05 -0.14 0.32 -0.06 0.00 0.00 0.00 175.76 175.83 3mmy s PHE 281 N -0.16 3.62 -0.01 0.00 0.40 -1.26 -0.37 117.98 120.20 3mmy s PHE 281 Ca -0.03 0.73 -0.30 0.00 -0.60 0.00 0.00 56.93 56.74 3mmy s PHE 281 Cb -0.03 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 3mmy s PHE 281 CO 0.01 0.62 1.26 -1.58 0.70 0.00 0.00 175.22 176.22 3mmy s HIS 282 N -1.22 3.15 -0.40 0.36 5.65 0.36 -4.89 115.29 118.31 3mmy s HIS 282 Ca 0.26 1.12 0.23 0.00 0.25 0.00 0.00 55.06 56.92 3mmy s HIS 282 Cb -0.14 -3.49 1.04 0.00 -1.18 0.00 0.00 32.58 28.81 3mmy s HIS 282 CO 0.14 -1.62 1.70 -0.35 -0.65 0.00 0.00 174.74 173.95 3mmy n PRO 283 N 4.97 0.18 -0.11 2.88 -0.04 -1.26 -1.86 135.00 139.77 3mmy n PRO 283 Ca 0.11 0.49 -0.22 0.00 -0.04 0.00 0.00 63.50 63.84 3mmy n PRO 283 Cb 0.45 -1.90 -0.08 0.00 -0.04 0.00 0.00 33.50 31.93 3mmy n PRO 283 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3mmy n VAL 284 N -2.25 1.20 0.11 0.52 0.31 -1.26 -4.78 118.33 112.18 3mmy n VAL 284 Ca 0.01 -0.34 0.07 0.00 -0.01 0.00 0.00 64.34 64.07 3mmy n VAL 284 Cb 0.17 -1.68 0.01 0.00 -0.91 0.00 0.00 33.84 31.44 3mmy n VAL 284 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3mmy h HIS 285 N -0.62 0.00 0.00 3.52 3.86 -1.88 -3.47 115.15 116.56 3mmy h HIS 285 Ca -0.54 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 3mmy h HIS 285 Cb 1.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.00 3mmy h HIS 285 CO -0.05 0.25 0.00 0.41 0.86 0.00 0.00 177.93 179.40 3mmy n GLY 286 N 1.23 0.73 3.90 2.45 0.00 -0.78 -4.97 105.19 107.75 3mmy n GLY 286 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3mmy n GLY 286 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mmy s THR 287 N -2.94 1.99 0.03 2.61 -4.23 -1.26 -4.77 115.64 107.08 3mmy s THR 287 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 3mmy s THR 287 Cb 0.00 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.84 3mmy s THR 287 CO 0.00 0.00 -0.06 -1.48 -0.54 0.00 0.00 174.62 172.54 3mmy s LEU 288 N -5.76 2.24 -0.06 4.79 2.34 -0.35 -0.48 118.68 121.40 3mmy s LEU 288 Ca 0.67 -0.52 -0.02 0.00 0.06 0.00 0.00 54.13 54.32 3mmy s LEU 288 Cb -0.08 -0.05 -0.04 0.00 -0.56 0.00 0.00 46.19 45.47 3mmy s LEU 288 CO 0.51 -0.24 0.05 0.00 -1.06 0.00 0.00 176.35 175.61 3mmy s ALA 289 N -1.39 3.48 0.12 1.48 0.00 0.51 -0.22 121.76 125.73 3mmy s ALA 289 Ca -0.12 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.13 3mmy s ALA 289 Cb -0.10 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3mmy s ALA 289 CO -0.00 0.63 -0.24 0.95 0.00 0.00 0.00 175.76 177.09 3mmy s THR 290 N -1.01 2.00 0.04 0.00 -4.23 -0.06 -1.19 115.64 111.19 3mmy s THR 290 Ca 0.17 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 3mmy s THR 290 Cb -0.12 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 3mmy s THR 290 CO 0.06 0.01 -0.12 0.68 -0.54 0.00 0.00 174.62 174.71 3mmy s VAL 291 N -1.14 0.96 0.20 2.29 -7.23 -0.68 -1.46 120.40 113.32 3mmy s VAL 291 Ca 0.11 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 3mmy s VAL 291 Cb -0.10 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 3mmy s VAL 291 CO 0.05 -0.05 0.07 -0.83 -0.31 0.00 0.00 175.10 174.04 3mmy s GLY 292 N -1.12 1.38 0.15 2.32 0.00 -0.95 -0.68 107.32 108.42 3mmy s GLY 292 Ca -0.00 -1.68 0.18 0.00 0.00 0.00 0.00 44.72 43.22 3mmy s GLY 292 CO 0.01 -1.48 1.55 -1.26 0.00 0.00 0.00 173.10 171.92 3mmy n SER 293 N -0.28 0.37 0.00 1.64 2.88 0.01 -1.54 113.62 116.69 3mmy n SER 293 Ca -0.02 0.61 0.11 0.00 -1.33 0.00 0.00 58.87 58.24 3mmy n SER 293 Cb 0.65 -0.68 0.60 0.00 -0.75 0.00 0.00 64.21 64.04 3mmy n SER 293 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3mmy n ASP 294 N -1.92 0.00 -1.05 -3.46 5.75 -1.26 -4.35 116.55 110.26 3mmy n ASP 294 Ca 0.02 -0.17 -0.08 0.00 -0.01 0.00 0.00 54.79 54.54 3mmy n ASP 294 Cb 0.16 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3mmy n ASP 294 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mmy n GLY 295 N 0.64 0.08 3.24 6.12 0.00 -0.59 -4.66 105.19 110.02 3mmy n GLY 295 Ca 0.12 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 3mmy n GLY 295 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mmy s ARG 296 N -4.57 1.05 0.03 1.61 0.52 -1.26 -0.14 118.95 116.19 3mmy s ARG 296 Ca 0.03 -1.06 -0.00 0.00 -0.52 0.00 0.00 55.73 54.18 3mmy s ARG 296 Cb -0.01 -1.22 -0.04 0.00 0.52 0.00 0.00 34.95 34.20 3mmy s ARG 296 CO 0.04 0.29 0.16 -0.59 0.02 0.00 0.00 175.30 175.22 3mmy s PHE 297 N -1.14 3.44 0.06 -0.53 -0.71 -1.26 -2.25 117.98 115.60 3mmy s PHE 297 Ca 0.04 0.25 0.05 0.00 -1.04 0.00 0.00 56.93 56.22 3mmy s PHE 297 Cb -0.10 -1.75 -0.03 0.00 -1.21 0.00 0.00 43.02 39.93 3mmy s PHE 297 CO 0.03 0.59 -0.13 -1.12 -1.34 0.00 0.00 175.22 173.25 3mmy s SER 298 N -2.20 1.54 -0.05 1.98 0.01 -0.53 -0.51 113.70 113.93 3mmy s SER 298 Ca 0.30 -0.59 0.05 0.00 1.31 0.00 0.00 55.95 57.02 3mmy s SER 298 Cb -0.13 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 3mmy s SER 298 CO 0.22 -0.09 -0.21 -0.36 0.41 0.00 0.00 173.24 173.21 3mmy s PHE 299 N -1.26 2.51 0.04 2.43 0.08 -0.03 -0.88 117.98 120.87 3mmy s PHE 299 Ca -0.03 -0.45 -0.00 0.00 0.12 0.00 0.00 56.93 56.57 3mmy s PHE 299 Cb -0.10 -1.59 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 3mmy s PHE 299 CO 0.02 -0.04 -0.04 -1.58 -0.10 0.00 0.00 175.22 173.49 3mmy s TRP 300 N -0.44 0.44 -0.27 0.36 0.52 0.70 0.29 118.94 120.54 3mmy s TRP 300 Ca 0.05 -0.78 0.02 0.00 0.02 0.00 0.00 56.10 55.41 3mmy s TRP 300 Cb -0.12 -0.31 0.06 0.00 -1.15 0.00 0.00 33.47 31.95 3mmy s TRP 300 CO 0.01 -0.26 -0.09 0.34 0.02 0.00 0.00 176.95 176.98 3mmy s ASP 301 N -2.17 4.52 0.00 2.95 -1.08 0.18 -1.21 116.67 119.86 3mmy s ASP 301 Ca -0.04 -1.36 0.28 0.00 -0.52 0.00 0.00 52.55 50.91 3mmy s ASP 301 Cb -0.02 -1.58 1.15 0.00 -1.46 0.00 0.00 42.92 41.01 3mmy s ASP 301 CO -0.05 -0.20 1.85 2.29 0.52 0.00 0.00 175.17 179.58 3mmy n LYS 302 N 4.47 0.18 -0.10 4.34 -0.00 -1.26 -1.03 118.16 124.77 3mmy n LYS 302 Ca -0.14 -0.04 -0.18 0.00 -0.00 0.00 0.00 58.31 57.95 3mmy n LYS 302 Cb 0.42 -1.50 -0.10 0.00 -0.00 0.00 0.00 35.03 33.86 3mmy n LYS 302 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3mmy h ASP 303 N 0.09 0.00 1.26 -5.58 3.32 -1.94 -3.34 116.42 110.23 3mmy h ASP 303 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3mmy h ASP 303 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3mmy h ASP 303 CO 0.00 1.32 0.00 0.00 -1.72 0.00 0.00 179.24 178.84 3mmy h ALA 304 N -0.54 1.00 -4.84 3.45 0.00 -2.01 -3.47 119.26 112.85 3mmy h ALA 304 Ca -0.26 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.40 3mmy h ALA 304 Cb 1.13 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.05 3mmy h ALA 304 CO -0.16 0.00 -0.61 0.54 0.00 0.00 0.00 179.25 179.03 3mmy n ARG 305 N -2.72 -4.62 -4.27 0.00 1.74 -0.19 -5.05 116.66 101.55 3mmy n ARG 305 Ca 0.03 0.66 -0.18 0.00 -0.77 0.00 0.00 57.85 57.58 3mmy n ARG 305 Cb 0.36 -5.07 -0.11 0.00 -1.02 0.00 0.00 32.46 26.62 3mmy n ARG 305 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3mmy s THR 306 N -3.28 1.43 -0.21 0.55 -4.23 -0.52 -4.99 115.64 104.39 3mmy s THR 306 Ca 0.05 -1.83 -0.18 0.00 -1.18 0.00 0.00 61.69 58.55 3mmy s THR 306 Cb -0.01 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 3mmy s THR 306 CO 0.57 -0.45 0.49 -0.75 -0.54 0.00 0.00 174.62 173.94 3mmy s LYS 307 N -2.90 4.17 0.00 3.99 2.20 -1.26 -0.65 119.74 125.29 3mmy s LYS 307 Ca 0.12 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 56.12 3mmy s LYS 307 Cb -0.04 -3.57 -0.25 0.00 -1.51 0.00 0.00 37.83 32.46 3mmy s LYS 307 CO 0.04 -0.15 0.83 -0.07 -0.36 0.00 0.00 175.35 175.64 3mmy h LEU 308 N 7.98 0.22 -7.00 5.43 3.38 -0.50 -3.48 115.31 121.34 3mmy h LEU 308 Ca -0.34 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.37 3mmy h LEU 308 Cb 1.15 -0.07 -0.24 0.00 0.09 0.00 0.00 40.66 41.59 3mmy h LEU 308 CO 0.73 1.28 0.49 -0.75 0.09 0.00 0.00 178.44 180.29 3mmy s LYS 309 N -2.62 0.57 -0.03 1.13 2.20 -1.12 -4.96 119.74 114.90 3mmy s LYS 309 Ca -0.07 0.35 0.05 0.00 -0.36 0.00 0.00 55.97 55.94 3mmy s LYS 309 Cb 0.08 0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 36.66 3mmy s LYS 309 CO 0.83 -0.13 -0.19 0.99 -0.36 0.00 0.00 175.35 176.49 3mmy s THR 310 N -0.51 1.56 0.88 3.43 2.01 -1.26 -0.85 115.64 120.90 3mmy s THR 310 Ca 0.00 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.07 3mmy s THR 310 Cb -0.02 -1.32 0.12 0.00 0.01 0.00 0.00 72.50 71.28 3mmy s THR 310 CO -0.02 0.45 1.09 -0.94 -0.69 0.00 0.00 174.62 174.51 3mmy s SER 311 N -0.17 3.67 0.85 3.53 1.04 0.34 -5.01 113.70 117.94 3mmy s SER 311 Ca 0.00 1.41 -0.11 0.00 0.48 0.00 0.00 55.95 57.73 3mmy s SER 311 Cb -0.10 -2.10 0.11 0.00 0.10 0.00 0.00 66.02 64.02 3mmy s SER 311 CO 0.01 -2.50 1.14 -1.61 0.98 0.00 0.00 173.24 171.26 3mmy s GLU 312 N -5.00 1.49 -0.12 4.02 0.41 -1.26 -4.77 118.70 113.47 3mmy s GLU 312 Ca 0.63 1.50 -0.25 0.00 -0.41 0.00 0.00 54.97 56.43 3mmy s GLU 312 Cb -0.17 -1.78 -0.02 0.00 -1.78 0.00 0.00 34.13 30.37 3mmy s GLU 312 CO 0.56 -2.27 0.82 -1.14 -0.49 0.00 0.00 175.26 172.74 3mmy s GLN 313 N -4.58 4.37 0.84 1.61 0.74 -1.26 -4.64 119.66 116.73 3mmy s GLN 313 Ca 0.67 1.03 -0.12 0.00 0.05 0.00 0.00 55.36 56.99 3mmy s GLN 313 Cb -0.22 -3.53 0.09 0.00 1.10 0.00 0.00 33.01 30.45 3mmy s GLN 313 CO 0.55 -0.19 1.11 -0.51 -0.55 0.00 0.00 175.29 175.70 3mmy s LEU 314 N 1.64 2.39 0.00 3.68 1.02 0.80 -4.81 118.68 123.40 3mmy s LEU 314 Ca 0.40 1.22 0.18 0.00 0.02 0.00 0.00 54.13 55.95 3mmy s LEU 314 Cb -0.17 -3.73 0.83 0.00 0.02 0.00 0.00 46.19 43.14 3mmy s LEU 314 CO 0.16 -2.20 1.57 -0.90 0.02 0.00 0.00 176.35 175.01 3mmy n ASP 315 N -3.57 0.92 -3.89 2.29 5.75 -1.05 -4.75 116.55 112.26 3mmy n ASP 315 Ca 0.07 -1.62 -0.09 0.00 -0.01 0.00 0.00 54.79 53.14 3mmy n ASP 315 Cb 0.57 -0.06 -0.05 0.00 -1.03 0.00 0.00 41.12 40.55 3mmy n ASP 315 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mmy s GLN 316 N -1.87 1.45 0.72 0.11 -2.07 -1.26 -5.08 119.66 111.65 3mmy s GLN 316 Ca 0.28 -1.08 -0.16 0.00 -1.82 0.00 0.00 55.36 52.59 3mmy s GLN 316 Cb 0.14 0.49 -0.00 0.00 -1.09 0.00 0.00 33.01 32.55 3mmy s GLN 316 CO 0.22 -0.60 0.90 -2.30 -1.32 0.00 0.00 175.29 172.19 3mmy n PRO 317 N -0.35 0.47 -3.58 9.60 -0.02 -1.26 -4.16 135.00 135.70 3mmy n PRO 317 Ca -0.06 0.21 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 3mmy n PRO 317 Cb 0.62 -2.16 -0.09 0.00 -0.02 0.00 0.00 33.50 31.85 3mmy n PRO 317 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mmy s ILE 318 N -1.83 5.31 -0.52 4.25 1.01 -0.86 -1.52 121.20 127.04 3mmy s ILE 318 Ca 0.72 0.33 0.18 0.00 0.00 0.00 0.00 60.65 61.88 3mmy s ILE 318 Cb -0.35 -3.56 -0.24 0.00 0.01 0.00 0.00 42.46 38.32 3mmy s ILE 318 CO 0.51 0.32 0.63 -1.54 0.00 0.00 0.00 174.94 174.86 3mmy n SER 319 N 4.36 0.80 -3.53 3.58 3.41 -0.30 -3.98 113.62 117.95 3mmy n SER 319 Ca -0.13 -0.56 -0.08 0.00 -0.26 0.00 0.00 58.87 57.84 3mmy n SER 319 Cb 0.52 1.34 -0.02 0.00 -0.26 0.00 0.00 64.21 65.79 3mmy n SER 319 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mmy s ALA 320 N -2.95 -1.89 0.20 7.33 0.00 -1.26 -4.65 121.76 118.54 3mmy s ALA 320 Ca 0.01 1.21 -0.20 0.00 0.00 0.00 0.00 51.96 52.98 3mmy s ALA 320 Cb 0.13 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.45 3mmy s ALA 320 CO 0.76 -0.62 0.59 0.00 0.00 0.00 0.00 175.76 176.49 3mmy s PHE 323 N -3.02 2.43 1.08 0.00 0.40 -1.26 -0.91 117.98 116.69 3mmy s PHE 323 Ca 0.13 -0.30 -0.17 0.00 -0.60 0.00 0.00 56.93 55.99 3mmy s PHE 323 Cb 0.00 -1.17 0.23 0.00 0.51 0.00 0.00 43.02 42.60 3mmy s PHE 323 CO 0.01 0.54 1.18 0.54 0.70 0.00 0.00 175.22 178.18 3mmy s ASN 324 N -2.89 2.03 0.45 1.36 4.22 -0.70 -4.46 114.94 114.95 3mmy s ASN 324 Ca 0.24 0.60 0.11 0.00 -2.14 0.00 0.00 52.86 51.67 3mmy s ASN 324 Cb -0.08 -0.86 1.03 0.00 1.28 0.00 0.00 41.25 42.62 3mmy s ASN 324 CO 0.13 -3.43 2.09 1.12 -2.04 0.00 0.00 177.10 174.97 3mmy h HIS 325 N -2.11 0.30 -0.28 1.54 2.07 -1.90 -1.44 115.15 113.33 3mmy h HIS 325 Ca -0.46 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3mmy h HIS 325 Cb 1.28 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 31.16 3mmy h HIS 325 CO -1.36 0.19 0.00 0.27 -3.07 0.00 0.00 177.93 173.97 3mmy n ASN 326 N -4.50 2.91 0.00 3.10 0.23 -1.26 -4.81 115.26 110.94 3mmy n ASN 326 Ca 0.00 -1.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 3mmy n ASN 326 Cb 0.08 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 3mmy n ASN 326 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mmy n GLY 327 N 1.00 0.38 0.17 4.83 0.00 -0.54 -4.63 105.19 106.41 3mmy n GLY 327 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3mmy n GLY 327 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mmy h ASN 328 N 0.00 0.00 -3.36 1.61 2.35 -1.89 -3.35 115.58 110.94 3mmy h ASN 328 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3mmy h ASN 328 Cb 0.28 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.31 3mmy h ASN 328 CO 0.00 0.00 -0.82 -0.63 -1.65 0.00 0.00 177.43 174.33 3mmy s ILE 329 N -3.41 1.21 -0.18 2.81 1.01 -1.26 -3.96 121.20 117.42 3mmy s ILE 329 Ca 0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 3mmy s ILE 329 Cb 0.09 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 3mmy s ILE 329 CO 0.44 0.38 -0.00 0.12 0.00 0.00 0.00 174.94 175.88 3mmy s PHE 330 N 0.84 3.08 -0.10 3.97 2.19 0.43 -1.72 117.98 126.66 3mmy s PHE 330 Ca -0.11 -0.26 0.00 0.00 0.33 0.00 0.00 56.93 56.90 3mmy s PHE 330 Cb -0.15 -2.03 -0.02 0.00 -1.31 0.00 0.00 43.02 39.50 3mmy s PHE 330 CO 0.02 -0.05 -0.10 0.00 1.83 0.00 0.00 175.22 176.91 3mmy s ALA 331 N 0.57 2.81 0.01 11.12 0.00 -0.09 -0.99 121.76 135.19 3mmy s ALA 331 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3mmy s ALA 331 Cb -0.14 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 3mmy s ALA 331 CO 0.02 0.41 -0.02 1.52 0.00 0.00 0.00 175.76 177.69 3mmy s TYR 332 N -0.25 0.20 -0.18 0.00 1.13 -0.47 -1.09 117.35 116.68 3mmy s TYR 332 Ca 0.03 -0.20 -0.06 0.00 -1.41 0.00 0.00 57.07 55.42 3mmy s TYR 332 Cb -0.13 -0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.57 3mmy s TYR 332 CO 0.03 -0.06 0.02 0.00 -2.51 0.00 0.00 175.55 173.03 3mmy s ALA 333 N -0.54 3.20 -0.44 9.51 0.00 -0.50 -0.59 121.76 132.39 3mmy s ALA 333 Ca -0.05 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 3mmy s ALA 333 Cb -0.04 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.31 3mmy s ALA 333 CO -0.00 0.07 0.52 0.45 0.00 0.00 0.00 175.76 176.80 3mmy s SER 334 N 0.59 6.23 -0.16 0.00 0.15 0.49 -1.15 113.70 119.85 3mmy s SER 334 Ca 0.01 -0.63 -0.22 0.00 0.70 0.00 0.00 55.95 55.80 3mmy s SER 334 Cb -0.14 -2.26 0.06 0.00 -1.71 0.00 0.00 66.02 61.97 3mmy s SER 334 CO 0.02 -0.68 0.58 -0.44 1.20 0.00 0.00 173.24 173.92 3mmy s SER 335 N 2.01 -0.58 0.39 5.45 0.01 -0.57 -2.09 113.70 118.31 3mmy s SER 335 Ca 0.15 0.97 -0.27 0.00 1.31 0.00 0.00 55.95 58.11 3mmy s SER 335 Cb -0.17 0.96 -0.10 0.00 0.21 0.00 0.00 66.02 66.93 3mmy s SER 335 CO 0.15 -0.32 1.45 -0.47 0.41 0.00 0.00 173.24 174.45 3mmy s TYR 336 N -0.21 2.59 -0.48 2.43 5.04 -1.26 -4.07 117.35 121.40 3mmy s TYR 336 Ca -0.04 1.22 0.05 0.00 -2.44 0.00 0.00 57.07 55.86 3mmy s TYR 336 Cb -0.03 -3.96 0.10 0.00 0.35 0.00 0.00 41.96 38.41 3mmy s TYR 336 CO 0.03 -2.87 0.94 -0.40 -1.34 0.00 0.00 175.55 171.91 3mmy n ASP 337 N 0.30 2.03 -0.68 4.32 5.68 -1.26 -4.80 116.55 122.14 3mmy n ASP 337 Ca 0.02 -1.70 -0.09 0.00 -0.50 0.00 0.00 54.79 52.52 3mmy n ASP 337 Cb 0.40 -0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 3mmy n ASP 337 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 3mmy n TRP 338 N 0.06 0.00 0.28 2.11 -0.00 -1.26 -4.89 117.44 113.74 3mmy n TRP 338 Ca 0.04 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.69 3mmy n TRP 338 Cb 0.25 -1.94 0.70 0.00 -0.00 0.00 0.00 31.31 30.32 3mmy n TRP 338 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3mmy h SER 339 N 0.00 0.00 0.00 5.87 4.64 -1.99 -0.88 113.55 121.19 3mmy h SER 339 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3mmy h SER 339 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3mmy h SER 339 CO 0.27 0.00 -0.04 0.29 -0.87 0.00 0.00 176.83 176.48 3mmy n LYS 340 N -2.52 1.75 0.00 4.77 5.02 -1.26 -5.11 118.16 120.80 3mmy n LYS 340 Ca -0.00 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 3mmy n LYS 340 Cb 0.13 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3mmy n LYS 340 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mmy n GLY 341 N -0.87 -2.12 0.23 0.72 0.00 -0.34 -4.43 105.19 98.38 3mmy n GLY 341 Ca 0.08 -1.44 0.09 0.00 0.00 0.00 0.00 46.02 44.74 3mmy n GLY 341 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3mmy h HIS 342 N 0.00 0.00 0.00 1.61 2.07 -1.98 -3.16 115.15 113.69 3mmy h HIS 342 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3mmy h HIS 342 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 3mmy h HIS 342 CO 0.00 0.23 -0.02 0.93 -3.07 0.00 0.00 177.93 176.00 3mmy h GLU 343 N 0.00 0.00 -0.38 5.12 5.08 -2.00 -2.19 114.58 120.21 3mmy h GLU 343 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mmy h GLU 343 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3mmy h GLU 343 CO 0.03 0.02 0.00 1.19 -1.00 0.00 0.00 179.01 179.25 3mmy n PHE 344 N -3.16 0.50 -2.62 4.33 3.01 -1.19 -4.92 117.46 113.40 3mmy n PHE 344 Ca -0.01 -0.43 -0.43 0.00 1.01 0.00 0.00 57.45 57.59 3mmy n PHE 344 Cb 0.18 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 3mmy n PHE 344 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 3mmy s TYR 345 N -1.02 3.36 -0.44 1.38 6.04 -0.83 -5.00 117.35 120.84 3mmy s TYR 345 Ca 0.27 1.45 0.00 0.00 0.04 0.00 0.00 57.07 58.84 3mmy s TYR 345 Cb 0.15 -3.28 0.12 0.00 -1.04 0.00 0.00 41.96 37.91 3mmy s TYR 345 CO 0.20 -0.60 0.20 1.21 -1.54 0.00 0.00 175.55 175.02 3mmy s ASN 346 N 1.26 4.96 0.00 4.32 3.84 -1.26 -4.97 114.94 123.08 3mmy s ASN 346 Ca 0.49 -2.36 0.13 0.00 0.21 0.00 0.00 52.86 51.33 3mmy s ASN 346 Cb -0.19 -1.74 0.62 0.00 -0.55 0.00 0.00 41.25 39.38 3mmy s ASN 346 CO 0.16 -0.42 1.35 -0.81 -2.79 0.00 0.00 177.10 174.59 3mmy n PRO 347 N 4.07 0.13 -0.00 0.43 -0.04 -1.26 -1.73 135.00 136.60 3mmy n PRO 347 Ca 0.03 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 3mmy n PRO 347 Cb 0.39 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 3mmy n PRO 347 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3mmy n GLN 348 N -1.35 0.52 -2.09 0.54 6.02 -1.26 -4.93 117.38 114.83 3mmy n GLN 348 Ca 0.05 -0.15 -0.41 0.00 -0.01 0.00 0.00 57.00 56.48 3mmy n GLN 348 Cb 0.11 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 3mmy n GLN 348 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3mmy s LYS 349 N -3.41 4.31 0.42 -1.09 2.20 -0.71 -4.98 119.74 116.49 3mmy s LYS 349 Ca -0.04 2.20 -0.23 0.00 -0.36 0.00 0.00 55.97 57.54 3mmy s LYS 349 Cb 0.14 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 33.22 3mmy s LYS 349 CO 0.90 -0.37 1.03 0.21 -0.36 0.00 0.00 175.35 176.76 3mmy s LYS 350 N -0.08 4.09 -0.01 4.03 2.20 -1.26 -5.02 119.74 123.70 3mmy s LYS 350 Ca 0.59 1.44 -0.06 0.00 -0.36 0.00 0.00 55.97 57.58 3mmy s LYS 350 Cb -0.40 -2.41 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 3mmy s LYS 350 CO 0.40 -0.19 0.25 -0.80 -0.36 0.00 0.00 175.35 174.64 3mmy s ASN 351 N -1.72 6.47 0.04 1.43 0.01 -1.26 -4.91 114.94 115.00 3mmy s ASN 351 Ca 0.60 0.53 0.04 0.00 -0.71 0.00 0.00 52.86 53.32 3mmy s ASN 351 Cb -0.19 -2.08 -0.02 0.00 0.41 0.00 0.00 41.25 39.37 3mmy s ASN 351 CO 0.24 0.27 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.66 3mmy s TYR 352 N -1.27 1.11 -0.17 2.20 1.51 -0.89 -4.80 117.35 115.04 3mmy s TYR 352 Ca 0.26 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.93 3mmy s TYR 352 Cb -0.13 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.05 3mmy s TYR 352 CO 0.15 0.02 -0.08 0.42 -1.11 0.00 0.00 175.55 174.96 3mmy s ILE 353 N -0.93 3.35 0.07 2.71 1.01 -1.26 -0.38 121.20 125.76 3mmy s ILE 353 Ca -0.00 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.17 3mmy s ILE 353 Cb -0.08 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3mmy s ILE 353 CO 0.01 0.48 -0.08 -0.36 0.00 0.00 0.00 174.94 174.99 3mmy s PHE 354 N 0.75 2.81 0.01 3.97 0.40 0.24 -1.08 117.98 125.08 3mmy s PHE 354 Ca -0.03 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.25 3mmy s PHE 354 Cb -0.15 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 3mmy s PHE 354 CO 0.02 0.41 -0.18 -0.51 0.70 0.00 0.00 175.22 175.65 3mmy s LEU 355 N -1.93 2.09 -0.02 -0.37 1.43 0.01 -1.36 118.68 118.52 3mmy s LEU 355 Ca 0.20 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3mmy s LEU 355 Cb -0.11 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.23 3mmy s LEU 355 CO 0.12 0.18 0.06 -0.60 0.23 0.00 0.00 176.35 176.34 3mmy s ARG 356 N -0.70 0.06 -0.94 1.70 3.52 -0.17 -1.44 118.95 120.98 3mmy s ARG 356 Ca 0.06 0.11 -0.22 0.00 -0.13 0.00 0.00 55.73 55.55 3mmy s ARG 356 Cb -0.07 -0.01 0.08 0.00 -1.56 0.00 0.00 34.95 33.38 3mmy s ARG 356 CO 0.00 -0.03 1.29 -0.80 -0.81 0.00 0.00 175.30 174.95 3mmy s ASN 357 N 0.20 6.50 -0.01 -2.12 0.01 -1.26 -0.43 114.94 117.82 3mmy s ASN 357 Ca -0.01 -1.55 0.13 0.00 -0.71 0.00 0.00 52.86 50.72 3mmy s ASN 357 Cb -0.02 -2.50 0.38 0.00 0.41 0.00 0.00 41.25 39.52 3mmy s ASN 357 CO -0.01 -1.38 1.31 0.00 -1.51 0.00 0.00 177.10 175.52 3mmy n ALA 358 N 8.04 2.28 -0.31 0.60 0.00 -1.25 -4.74 120.51 125.12 3mmy n ALA 358 Ca 0.25 -1.25 0.02 0.00 0.00 0.00 0.00 53.44 52.46 3mmy n ALA 358 Cb 0.50 -0.53 0.16 0.00 0.00 0.00 0.00 19.45 19.57 3mmy n ALA 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mmy h ALA 359 N 2.38 1.22 0.00 0.00 0.00 -1.80 -1.41 119.26 119.65 3mmy h ALA 359 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3mmy h ALA 359 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3mmy h ALA 359 CO 0.02 0.24 -0.42 0.93 0.00 0.00 0.00 179.25 180.02 3mmy h GLU 360 N 0.94 0.00 0.00 0.00 4.39 -1.93 -2.23 114.58 115.75 3mmy h GLU 360 Ca 0.39 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.07 3mmy h GLU 360 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3mmy h GLU 360 CO -0.20 0.42 -0.11 0.93 -1.16 0.00 0.00 179.01 178.89 3mmy h GLU 361 N 0.00 0.00 -0.49 2.33 5.08 -1.67 -2.89 114.58 116.94 3mmy h GLU 361 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mmy h GLU 361 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3mmy h GLU 361 CO 0.05 0.11 0.00 1.28 -1.00 0.00 0.00 179.01 179.46 3mmy n LEU 362 N -3.35 3.44 -4.48 1.33 4.77 -0.61 -4.78 117.00 113.32 3mmy n LEU 362 Ca -0.01 -1.77 -0.41 0.00 -0.03 0.00 0.00 56.01 53.80 3mmy n LEU 362 Cb 0.31 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3mmy n LEU 362 CO 0.30 0.81 -0.13 -0.75 -1.33 0.00 0.00 177.39 176.29 3mmy s LYS 363 N -1.16 3.27 0.28 3.23 2.20 -0.95 -4.60 119.74 122.01 3mmy s LYS 363 Ca 0.38 -0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 3mmy s LYS 363 Cb 0.21 -3.81 -0.10 0.00 -1.51 0.00 0.00 37.83 32.62 3mmy s LYS 363 CO 0.28 -0.55 1.36 -2.14 -0.36 0.00 0.00 175.35 173.94 3mmy s PRO 364 N 1.68 4.32 0.00 4.03 0.02 -1.26 -4.98 135.00 138.81 3mmy s PRO 364 Ca 0.05 2.23 0.25 0.00 0.02 0.00 0.00 61.00 63.55 3mmy s PRO 364 Cb -0.18 -3.10 1.52 0.00 0.02 0.00 0.00 34.50 32.76 3mmy s PRO 364 CO 0.09 -0.29 1.88 -2.13 -0.33 0.00 0.00 177.00 176.22