#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpd n LEU 27 N 0.00 0.22 -0.08 3.41 4.77 -1.26 -3.70 117.00 120.36 2wpd n LEU 27 Ca 0.00 -0.02 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2wpd n LEU 27 Cb 0.00 -0.06 0.32 0.00 -2.33 0.00 0.00 43.42 41.35 2wpd n LEU 27 CO 0.00 0.04 1.11 0.78 -1.33 0.00 0.00 177.39 177.99 2wpd h ASN 28 N 0.33 0.62 -0.11 -1.43 2.35 -1.95 -0.72 115.58 114.66 2wpd h ASN 28 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2wpd h ASN 28 Cb 0.13 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2wpd h ASN 28 CO 0.00 0.52 0.00 -0.62 -1.65 0.00 0.00 177.43 175.68 2wpd n GLU 29 N -4.39 1.35 -4.09 0.81 -0.58 -1.24 -3.56 120.64 108.94 2wpd n GLU 29 Ca 0.04 -1.37 -0.10 0.00 -0.42 0.00 0.00 57.16 55.30 2wpd n GLU 29 Cb 0.11 -1.16 -0.07 0.00 -0.57 0.00 0.00 31.44 29.74 2wpd n GLU 29 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2wpd s THR 30 N -0.80 0.00 0.04 2.62 -4.23 -1.15 -3.79 115.64 108.33 2wpd s THR 30 Ca 0.12 -1.68 -0.27 0.00 -1.18 0.00 0.00 61.69 58.68 2wpd s THR 30 Cb 0.07 -2.34 0.09 0.00 1.34 0.00 0.00 72.50 71.66 2wpd s THR 30 CO 0.10 0.00 0.80 -0.83 -0.54 0.00 0.00 174.62 174.15 2wpd s GLY 31 N -3.09 -0.51 -0.09 3.99 0.00 -0.78 -2.61 107.32 104.24 2wpd s GLY 31 Ca 0.30 0.88 -0.00 0.00 0.00 0.00 0.00 44.72 45.90 2wpd s GLY 31 CO 0.11 0.30 -0.07 0.50 0.00 0.00 0.00 173.10 173.94 2wpd s ARG 32 N -3.26 2.98 0.07 2.90 0.52 -0.33 0.00 118.95 121.84 2wpd s ARG 32 Ca 0.04 -0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 54.39 2wpd s ARG 32 Cb -0.01 -2.66 -0.06 0.00 0.52 0.00 0.00 34.95 32.74 2wpd s ARG 32 CO -0.10 0.54 1.29 0.08 0.02 0.00 0.00 175.30 177.14 2wpd s VAL 33 N -0.48 3.74 -0.18 3.52 1.01 -0.84 0.42 120.40 127.58 2wpd s VAL 33 Ca 0.07 1.23 -0.07 0.00 0.00 0.00 0.00 61.98 63.21 2wpd s VAL 33 Cb -0.12 -3.79 -0.22 0.00 0.00 0.00 0.00 36.38 32.25 2wpd s VAL 33 CO 0.02 0.08 0.14 0.18 0.00 0.00 0.00 175.10 175.52 2wpd n LEU 34 N 4.14 2.59 -3.86 3.92 4.77 0.15 0.02 117.00 128.73 2wpd n LEU 34 Ca 0.10 0.15 -0.09 0.00 -0.03 0.00 0.00 56.01 56.14 2wpd n LEU 34 Cb 0.45 -1.03 -0.07 0.00 -2.33 0.00 0.00 43.42 40.44 2wpd n LEU 34 CO 0.57 0.79 -0.03 0.00 -1.33 0.00 0.00 177.39 177.39 2wpd s ALA 35 N -2.52 -0.25 -0.25 -1.18 0.00 -1.08 -4.86 121.76 111.62 2wpd s ALA 35 Ca -0.28 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 50.80 2wpd s ALA 35 Cb 0.08 0.64 0.07 0.00 0.00 0.00 0.00 23.12 23.91 2wpd s ALA 35 CO 0.68 -0.58 0.73 0.54 0.00 0.00 0.00 175.76 177.14 2wpd s VAL 36 N -3.89 0.00 0.00 0.00 0.11 -1.26 -1.72 120.40 113.64 2wpd s VAL 36 Ca 0.09 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 2wpd s VAL 36 Cb 0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 2wpd s VAL 36 CO -0.07 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 2wpd n GLY 37 N 2.50 2.89 2.40 6.54 0.00 -0.09 -5.00 105.19 114.42 2wpd n GLY 37 Ca -0.14 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 2wpd n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wpd n ASP 38 N 0.00 -5.15 0.00 1.61 8.00 -1.26 -1.52 116.55 118.22 2wpd n ASP 38 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2wpd n ASP 38 Cb 0.00 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 2wpd n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wpd n GLY 39 N -0.94 0.80 3.67 0.44 0.00 -1.26 -4.99 105.19 102.91 2wpd n GLY 39 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2wpd n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wpd s ILE 40 N -3.15 4.16 -0.17 -0.61 -1.09 -0.58 0.21 121.20 119.98 2wpd s ILE 40 Ca 0.00 -0.44 -0.04 0.00 -2.23 0.00 0.00 60.65 57.93 2wpd s ILE 40 Cb 0.00 -2.79 0.07 0.00 -1.58 0.00 0.00 42.46 38.16 2wpd s ILE 40 CO 0.00 0.50 0.14 0.00 -1.23 0.00 0.00 174.94 174.35 2wpd s ALA 41 N -0.97 0.14 -0.74 9.38 0.00 0.09 -0.91 121.76 128.74 2wpd s ALA 41 Ca 0.16 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.85 2wpd s ALA 41 Cb -0.11 -1.10 0.06 0.00 0.00 0.00 0.00 23.12 21.97 2wpd s ALA 41 CO 0.06 -1.11 1.13 1.03 0.00 0.00 0.00 175.76 176.87 2wpd s ARG 42 N 2.21 3.22 0.04 0.00 0.52 -0.70 -1.87 118.95 122.37 2wpd s ARG 42 Ca 0.04 -0.72 -0.10 0.00 -0.52 0.00 0.00 55.73 54.42 2wpd s ARG 42 Cb -0.15 -4.37 -0.05 0.00 0.52 0.00 0.00 34.95 30.90 2wpd s ARG 42 CO -0.10 -1.97 0.37 0.08 0.02 0.00 0.00 175.30 173.71 2wpd s VAL 43 N 4.63 5.13 -0.12 3.52 1.01 -0.63 0.32 120.40 134.25 2wpd s VAL 43 Ca 0.30 0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.67 2wpd s VAL 43 Cb -0.11 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2wpd s VAL 43 CO 0.09 0.38 0.15 0.12 0.00 0.00 0.00 175.10 175.83 2wpd s PHE 44 N -1.30 3.59 0.00 5.22 5.36 0.17 -0.44 117.98 130.58 2wpd s PHE 44 Ca 0.29 0.53 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 2wpd s PHE 44 Cb -0.14 -1.98 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 2wpd s PHE 44 CO 0.16 0.69 0.00 0.41 -1.46 0.00 0.00 175.22 175.02 2wpd n GLY 45 N 2.14 0.48 3.54 13.12 0.00 -1.26 -1.19 105.19 122.02 2wpd n GLY 45 Ca -0.19 -1.78 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 2wpd n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wpd n LEU 46 N 0.00 -3.69 -1.67 0.99 4.77 -0.29 -4.78 117.00 112.33 2wpd n LEU 46 Ca 0.00 -0.76 0.06 0.00 -0.03 0.00 0.00 56.01 55.28 2wpd n LEU 46 Cb 0.00 -2.47 0.34 0.00 -2.33 0.00 0.00 43.42 38.96 2wpd n LEU 46 CO 0.00 0.05 0.78 0.59 -1.33 0.00 0.00 177.39 177.48 2wpd n ASN 47 N -2.46 4.97 0.00 -1.43 3.02 -1.25 -3.84 115.26 114.28 2wpd n ASN 47 Ca -0.12 -2.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.67 2wpd n ASN 47 Cb 0.59 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2wpd n ASN 47 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wpd n ASN 48 N 0.56 0.00 -4.78 6.41 4.13 -1.23 -5.02 115.26 115.33 2wpd n ASN 48 Ca 0.23 -1.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.13 2wpd n ASN 48 Cb 1.04 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 39.24 2wpd n ASN 48 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2wpd s ILE 49 N 0.00 3.70 0.81 2.41 2.07 -1.25 -5.06 121.20 123.87 2wpd s ILE 49 Ca 0.00 1.25 -0.04 0.00 -1.41 0.00 0.00 60.65 60.45 2wpd s ILE 49 Cb 0.00 -3.62 0.17 0.00 0.13 0.00 0.00 42.46 39.14 2wpd s ILE 49 CO 0.00 -0.04 1.10 -1.10 -1.91 0.00 0.00 174.94 172.99 2wpd s GLN 50 N -2.66 1.24 -0.01 3.50 -0.21 -1.26 -5.05 119.66 115.21 2wpd s GLN 50 Ca 0.60 -1.08 -0.30 0.00 0.02 0.00 0.00 55.36 54.60 2wpd s GLN 50 Cb -0.21 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 2wpd s GLN 50 CO 0.26 -1.82 0.97 0.00 -2.12 0.00 0.00 175.29 172.59 2wpd s ALA 51 N -3.37 3.18 -1.08 6.09 0.00 -1.26 -3.69 121.76 121.63 2wpd s ALA 51 Ca 0.70 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 2wpd s ALA 51 Cb -0.04 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2wpd s ALA 51 CO 0.47 -0.24 0.39 0.39 0.00 0.00 0.00 175.76 176.78 2wpd n GLU 52 N 3.94 -3.24 -3.55 0.00 1.02 -0.31 -5.00 120.64 113.49 2wpd n GLU 52 Ca 0.06 0.63 -0.34 0.00 -0.02 0.00 0.00 57.16 57.49 2wpd n GLU 52 Cb 0.51 -4.91 -0.05 0.00 -0.02 0.00 0.00 31.44 26.97 2wpd n GLU 52 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2wpd s GLU 53 N -5.29 3.78 0.36 3.49 2.12 -1.24 -4.07 118.70 117.84 2wpd s GLU 53 Ca 0.20 0.20 -0.25 0.00 0.36 0.00 0.00 54.97 55.47 2wpd s GLU 53 Cb -0.09 -2.97 -0.10 0.00 0.26 0.00 0.00 34.13 31.24 2wpd s GLU 53 CO 0.24 0.54 0.99 -1.17 -0.54 0.00 0.00 175.26 175.32 2wpd s LEU 54 N -1.99 4.25 0.14 2.70 2.96 -1.19 -2.43 118.68 123.11 2wpd s LEU 54 Ca 0.34 1.92 -0.00 0.00 -0.22 0.00 0.00 54.13 56.17 2wpd s LEU 54 Cb -0.14 -4.10 -0.04 0.00 0.50 0.00 0.00 46.19 42.41 2wpd s LEU 54 CO 0.19 -0.25 0.04 0.68 -1.32 0.00 0.00 176.35 175.68 2wpd s VAL 55 N -1.65 0.23 -0.05 1.68 -7.23 -0.02 -1.76 120.40 111.61 2wpd s VAL 55 Ca 0.54 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 2wpd s VAL 55 Cb -0.20 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 34.72 2wpd s VAL 55 CO 0.25 -0.49 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.89 2wpd s GLU 56 N -4.02 0.98 0.67 4.82 2.02 -0.30 -0.89 118.70 121.99 2wpd s GLU 56 Ca 0.23 -0.15 -0.03 0.00 0.02 0.00 0.00 54.97 55.04 2wpd s GLU 56 Cb 0.07 -0.95 0.07 0.00 0.10 0.00 0.00 34.13 33.42 2wpd s GLU 56 CO 0.02 -0.07 0.95 -0.06 0.02 0.00 0.00 175.26 176.11 2wpd s PHE 57 N 0.92 2.57 0.38 1.61 0.40 -0.81 -1.20 117.98 121.84 2wpd s PHE 57 Ca -0.11 0.15 0.12 0.00 -0.60 0.00 0.00 56.93 56.49 2wpd s PHE 57 Cb -0.14 -3.06 0.74 0.00 0.51 0.00 0.00 43.02 41.06 2wpd s PHE 57 CO 0.00 -1.36 1.84 1.03 0.70 0.00 0.00 175.22 177.44 2wpd h SER 58 N -0.42 0.02 0.21 1.36 0.87 -1.86 -2.85 113.55 110.89 2wpd h SER 58 Ca -0.42 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 2wpd h SER 58 Cb 1.30 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2wpd h SER 58 CO 0.52 0.37 -0.10 -1.28 -0.53 0.00 0.00 176.83 175.81 2wpd h SER 59 N 0.02 0.00 0.00 6.23 0.87 -1.89 -3.46 113.55 115.32 2wpd h SER 59 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2wpd h SER 59 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2wpd h SER 59 CO 0.05 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 2wpd n GLY 60 N -0.97 1.83 3.74 5.77 0.00 -1.08 -5.09 105.19 109.40 2wpd n GLY 60 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2wpd n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wpd s VAL 61 N -1.90 3.53 0.47 1.61 0.11 -1.26 -4.76 120.40 118.20 2wpd s VAL 61 Ca 0.00 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 60.37 2wpd s VAL 61 Cb 0.00 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 2wpd s VAL 61 CO 0.00 0.23 0.69 -0.54 -3.33 0.00 0.00 175.10 172.15 2wpd s LYS 62 N -0.44 2.98 0.26 1.54 1.02 -1.26 -1.93 119.74 121.91 2wpd s LYS 62 Ca 0.52 -0.52 -0.11 0.00 0.02 0.00 0.00 55.97 55.88 2wpd s LYS 62 Cb -0.33 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2wpd s LYS 62 CO 0.38 -0.35 0.47 0.20 -0.92 0.00 0.00 175.35 175.13 2wpd s GLY 63 N -4.25 0.70 -0.06 -3.33 0.00 -0.07 -2.61 107.32 97.71 2wpd s GLY 63 Ca 0.50 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 44.23 2wpd s GLY 63 CO 0.38 -0.70 -0.08 -0.29 0.00 0.00 0.00 173.10 172.41 2wpd s MET 64 N -3.83 1.22 -0.27 2.90 1.75 0.32 -0.84 119.30 120.55 2wpd s MET 64 Ca 0.24 -0.23 -0.21 0.00 -1.25 0.00 0.00 55.69 54.24 2wpd s MET 64 Cb -0.00 -1.12 -0.01 0.00 2.84 0.00 0.00 34.83 36.53 2wpd s MET 64 CO 0.11 -0.06 0.65 0.00 -0.65 0.00 0.00 175.02 175.07 2wpd s ALA 65 N 0.91 3.59 -0.03 4.11 0.00 -1.02 -0.22 121.76 129.11 2wpd s ALA 65 Ca -0.11 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2wpd s ALA 65 Cb -0.15 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 2wpd s ALA 65 CO 0.01 -0.89 0.00 1.28 0.00 0.00 0.00 175.76 176.16 2wpd n LEU 66 N 5.80 0.65 -4.27 0.00 4.77 -0.89 -1.17 117.00 121.88 2wpd n LEU 66 Ca 0.00 -0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2wpd n LEU 66 Cb 0.49 0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 2wpd n LEU 66 CO 0.44 0.17 -0.34 0.20 -1.33 0.00 0.00 177.39 176.54 2wpd s ASN 67 N -3.55 4.76 -0.36 -1.43 0.01 -1.19 -4.85 114.94 108.34 2wpd s ASN 67 Ca -0.02 -0.80 -0.12 0.00 -0.71 0.00 0.00 52.86 51.21 2wpd s ASN 67 Cb 0.01 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.89 2wpd s ASN 67 CO 0.10 -0.16 0.23 -0.76 -1.51 0.00 0.00 177.10 175.00 2wpd s LEU 68 N 1.41 4.61 0.09 0.60 1.43 -1.26 -1.03 118.68 124.53 2wpd s LEU 68 Ca 0.01 -0.66 0.04 0.00 -1.03 0.00 0.00 54.13 52.49 2wpd s LEU 68 Cb -0.17 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2wpd s LEU 68 CO -0.01 -0.30 -0.10 -1.61 0.23 0.00 0.00 176.35 174.56 2wpd s GLU 69 N 1.66 0.83 0.10 1.70 2.02 -1.05 -5.05 118.70 118.92 2wpd s GLU 69 Ca 0.05 -1.11 -0.29 0.00 0.02 0.00 0.00 54.97 53.64 2wpd s GLU 69 Cb -0.18 -0.56 -0.11 0.00 0.10 0.00 0.00 34.13 33.38 2wpd s GLU 69 CO 0.09 0.09 1.64 -1.35 0.02 0.00 0.00 175.26 175.75 2wpd h PRO 70 N 3.69 -0.54 0.36 0.39 0.11 -2.00 -3.18 132.00 130.83 2wpd h PRO 70 Ca -0.38 0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 2wpd h PRO 70 Cb 1.19 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 2wpd h PRO 70 CO 0.51 -0.36 -0.44 0.78 -0.21 0.00 0.00 178.00 178.27 2wpd h GLY 71 N -0.56 -1.03 -2.15 -0.55 0.00 -1.99 -3.47 103.07 93.31 2wpd h GLY 71 Ca 0.00 0.52 -0.23 0.00 0.00 0.00 0.00 47.33 47.62 2wpd h GLY 71 CO -0.08 -0.32 -0.34 -0.86 0.00 0.00 0.00 176.54 174.93 2wpd s GLN 72 N -5.92 1.57 -0.09 4.80 0.00 -1.20 -4.58 119.66 114.24 2wpd s GLN 72 Ca -0.17 -1.61 0.04 0.00 -0.00 0.00 0.00 55.36 53.62 2wpd s GLN 72 Cb 0.06 0.38 -0.00 0.00 0.00 0.00 0.00 33.01 33.45 2wpd s GLN 72 CO 0.62 -0.61 -0.24 0.08 0.00 0.00 0.00 175.29 175.14 2wpd s VAL 73 N -3.71 2.08 -0.16 3.63 1.01 0.42 -2.52 120.40 121.15 2wpd s VAL 73 Ca 0.32 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 2wpd s VAL 73 Cb 0.02 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2wpd s VAL 73 CO 0.15 0.56 0.80 -0.83 0.00 0.00 0.00 175.10 175.79 2wpd s GLY 74 N 0.24 2.16 0.01 4.51 0.00 -0.20 -1.61 107.32 112.44 2wpd s GLY 74 Ca -0.16 0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.63 2wpd s GLY 74 CO 0.08 1.59 -0.16 -0.42 0.00 0.00 0.00 173.10 174.19 2wpd s ILE 75 N 1.99 1.27 -0.07 0.90 1.01 -0.78 -2.10 121.20 123.41 2wpd s ILE 75 Ca 0.37 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 2wpd s ILE 75 Cb -0.17 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2wpd s ILE 75 CO 0.13 0.21 0.03 0.68 0.00 0.00 0.00 174.94 175.99 2wpd s VAL 76 N -0.60 4.48 -0.00 2.92 -7.23 0.70 -0.73 120.40 119.93 2wpd s VAL 76 Ca 0.05 -0.24 -0.13 0.00 -1.81 0.00 0.00 61.98 59.84 2wpd s VAL 76 Cb -0.07 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 2wpd s VAL 76 CO 0.00 0.56 0.38 -0.76 -0.31 0.00 0.00 175.10 174.97 2wpd s LEU 77 N -1.06 4.45 0.12 1.32 1.43 0.13 -0.53 118.68 124.55 2wpd s LEU 77 Ca 0.15 0.89 0.25 0.00 -1.03 0.00 0.00 54.13 54.39 2wpd s LEU 77 Cb -0.11 -2.57 0.53 0.00 0.03 0.00 0.00 46.19 44.06 2wpd s LEU 77 CO 0.04 0.32 1.47 0.49 0.23 0.00 0.00 176.35 178.91 2wpd n PHE 78 N 1.73 0.55 -4.21 0.29 3.72 -1.07 -4.60 117.46 113.87 2wpd n PHE 78 Ca -0.14 0.16 -0.10 0.00 -0.05 0.00 0.00 57.45 57.32 2wpd n PHE 78 Cb 0.53 -0.67 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 2wpd n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wpd n GLY 79 N 1.36 3.79 3.53 1.37 0.00 -1.26 -4.04 105.19 109.94 2wpd n GLY 79 Ca 0.04 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 2wpd n GLY 79 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wpd n SER 80 N -1.76 -0.75 -0.61 1.61 3.41 -1.26 -4.88 113.62 109.38 2wpd n SER 80 Ca -0.03 0.47 0.07 0.00 -0.26 0.00 0.00 58.87 59.12 2wpd n SER 80 Cb 0.24 -1.32 0.09 0.00 -0.26 0.00 0.00 64.21 62.96 2wpd n SER 80 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2wpd n ASP 81 N -1.96 2.42 0.00 4.04 5.75 -1.26 -4.45 116.55 121.09 2wpd n ASP 81 Ca 0.10 -1.69 0.07 0.00 -0.01 0.00 0.00 54.79 53.25 2wpd n ASP 81 Cb 0.52 -0.08 0.36 0.00 -1.03 0.00 0.00 41.12 40.89 2wpd n ASP 81 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2wpd n ARG 82 N 0.75 0.28 -0.10 0.11 1.85 -1.26 -2.55 116.66 115.74 2wpd n ARG 82 Ca 0.10 0.10 -0.12 0.00 -1.00 0.00 0.00 57.85 56.93 2wpd n ARG 82 Cb 0.38 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.14 2wpd n ARG 82 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2wpd n LEU 83 N -1.18 0.80 -4.76 2.89 4.77 -1.26 -4.93 117.00 113.33 2wpd n LEU 83 Ca 0.08 -0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.62 2wpd n LEU 83 Cb 0.08 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2wpd n LEU 83 CO 0.09 0.60 0.71 -0.69 -1.33 0.00 0.00 177.39 176.77 2wpd s VAL 84 N -2.48 3.83 0.05 4.08 1.01 -1.06 -4.87 120.40 120.97 2wpd s VAL 84 Ca -0.16 1.81 -0.02 0.00 0.00 0.00 0.00 61.98 63.61 2wpd s VAL 84 Cb 0.07 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2wpd s VAL 84 CO 0.74 0.41 0.00 -1.59 0.00 0.00 0.00 175.10 174.66 2wpd s LYS 85 N -1.37 0.64 0.32 2.72 -2.85 -1.26 -4.97 119.74 112.97 2wpd s LYS 85 Ca 0.43 -1.18 -0.29 0.00 -1.00 0.00 0.00 55.97 53.93 2wpd s LYS 85 Cb -0.28 0.23 -0.12 0.00 -2.06 0.00 0.00 37.83 35.60 2wpd s LYS 85 CO 0.35 -0.13 1.40 -1.91 0.10 0.00 0.00 175.35 175.16 2wpd n GLU 86 N 0.10 2.30 -0.84 1.78 2.13 -1.26 -2.72 120.64 122.13 2wpd n GLU 86 Ca -0.14 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.49 2wpd n GLU 86 Cb 0.61 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.86 2wpd n GLU 86 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wpd n GLY 87 N 1.21 0.60 3.82 8.31 0.00 0.10 -4.91 105.19 114.33 2wpd n GLY 87 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2wpd n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wpd s GLU 88 N -0.16 3.35 0.42 1.61 2.12 -1.10 -4.63 118.70 120.31 2wpd s GLU 88 Ca 0.00 1.06 -0.22 0.00 0.36 0.00 0.00 54.97 56.17 2wpd s GLU 88 Cb 0.00 -2.04 -0.10 0.00 0.26 0.00 0.00 34.13 32.25 2wpd s GLU 88 CO 0.00 -0.77 0.99 -1.17 -0.54 0.00 0.00 175.26 173.76 2wpd s LEU 89 N -4.74 4.01 -0.01 2.70 2.96 -1.26 -2.00 118.68 120.34 2wpd s LEU 89 Ca 0.61 1.83 0.02 0.00 -0.22 0.00 0.00 54.13 56.36 2wpd s LEU 89 Cb -0.14 -4.41 0.00 0.00 0.50 0.00 0.00 46.19 42.14 2wpd s LEU 89 CO 0.42 -0.44 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.25 2wpd s VAL 90 N -1.96 0.56 0.20 1.68 1.01 0.10 -3.01 120.40 118.98 2wpd s VAL 90 Ca 0.61 -0.27 0.10 0.00 0.00 0.00 0.00 61.98 62.42 2wpd s VAL 90 Cb -0.14 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2wpd s VAL 90 CO 0.19 0.17 -0.20 -0.75 0.00 0.00 0.00 175.10 174.52 2wpd s LYS 91 N 0.05 1.44 0.23 2.72 2.20 -0.34 -1.86 119.74 124.18 2wpd s LYS 91 Ca -0.00 -1.54 0.07 0.00 -0.36 0.00 0.00 55.97 54.13 2wpd s LYS 91 Cb -0.05 -1.53 -0.04 0.00 -1.51 0.00 0.00 37.83 34.70 2wpd s LYS 91 CO -0.00 0.31 0.12 -0.98 -0.36 0.00 0.00 175.35 174.43 2wpd s ARG 92 N -3.04 2.72 -0.07 4.03 1.70 -1.25 -1.15 118.95 121.90 2wpd s ARG 92 Ca 0.21 -1.10 0.15 0.00 -0.47 0.00 0.00 55.73 54.52 2wpd s ARG 92 Cb -0.05 -2.47 -0.22 0.00 -0.57 0.00 0.00 34.95 31.63 2wpd s ARG 92 CO 0.09 0.42 0.52 2.41 -1.08 0.00 0.00 175.30 177.66 2wpd n THR 93 N -0.82 1.43 -0.74 4.99 -1.04 -0.72 -4.86 114.28 112.52 2wpd n THR 93 Ca -0.08 -0.79 0.00 0.00 -2.04 0.00 0.00 64.05 61.15 2wpd n THR 93 Cb 0.57 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 2wpd n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wpd n GLY 94 N 1.57 1.48 3.14 3.41 0.00 -1.26 -5.00 105.19 108.53 2wpd n GLY 94 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 2wpd n GLY 94 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wpd s ASN 95 N -3.24 1.62 0.24 1.61 0.01 -1.26 -5.04 114.94 108.88 2wpd s ASN 95 Ca 0.00 -0.45 -0.30 0.00 -0.71 0.00 0.00 52.86 51.41 2wpd s ASN 95 Cb 0.00 -0.10 -0.09 0.00 0.41 0.00 0.00 41.25 41.47 2wpd s ASN 95 CO 0.00 0.03 1.21 -0.63 -1.51 0.00 0.00 177.10 176.20 2wpd s ILE 96 N -0.84 3.33 -0.38 0.60 -1.09 -1.26 -3.19 121.20 118.37 2wpd s ILE 96 Ca 0.01 1.20 -0.32 0.00 -2.23 0.00 0.00 60.65 59.31 2wpd s ILE 96 Cb -0.08 -3.77 -0.10 0.00 -1.58 0.00 0.00 42.46 36.93 2wpd s ILE 96 CO 0.01 0.23 2.26 0.52 -1.23 0.00 0.00 174.94 176.74 2wpd n VAL 97 N 1.87 0.17 -4.55 2.92 0.31 -1.26 -4.83 118.33 112.95 2wpd n VAL 97 Ca 0.02 -0.36 -0.27 0.00 -0.01 0.00 0.00 64.34 63.72 2wpd n VAL 97 Cb 0.44 -1.91 -0.11 0.00 -0.91 0.00 0.00 33.84 31.35 2wpd n VAL 97 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2wpd s ASP 98 N 8.31 3.92 0.03 4.52 -4.77 -1.26 -2.06 116.67 125.35 2wpd s ASP 98 Ca 1.08 -1.31 0.02 0.00 -3.30 0.00 0.00 52.55 49.04 2wpd s ASP 98 Cb -0.69 -0.40 -0.02 0.00 -1.09 0.00 0.00 42.92 40.72 2wpd s ASP 98 CO 0.43 -0.42 -0.07 0.68 0.70 0.00 0.00 175.17 176.49 2wpd s VAL 99 N -2.68 0.51 0.44 2.11 -7.23 -0.64 -4.89 120.40 108.01 2wpd s VAL 99 Ca 0.35 -0.78 -0.26 0.00 -1.81 0.00 0.00 61.98 59.48 2wpd s VAL 99 Cb 0.08 -0.53 -0.08 0.00 0.56 0.00 0.00 36.38 36.41 2wpd s VAL 99 CO 0.18 -0.20 1.39 -2.16 -0.31 0.00 0.00 175.10 174.00 2wpd s PRO 100 N -1.07 3.77 0.06 4.82 0.04 -1.26 -2.37 135.00 139.00 2wpd s PRO 100 Ca -0.06 2.35 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 2wpd s PRO 100 Cb -0.07 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 2wpd s PRO 100 CO 0.00 -0.72 -0.04 0.14 0.04 0.00 0.00 177.00 176.43 2wpd s VAL 101 N -1.22 0.30 0.00 -0.36 -7.23 0.82 -4.87 120.40 107.84 2wpd s VAL 101 Ca 0.60 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2wpd s VAL 101 Cb -0.42 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 34.99 2wpd s VAL 101 CO 0.54 -0.97 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 2wpd n GLY 102 N 0.11 1.70 0.26 2.32 0.00 -1.26 -1.09 105.19 107.22 2wpd n GLY 102 Ca -0.14 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 43.89 2wpd n GLY 102 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wpd h PRO 103 N 0.00 0.36 -0.99 1.61 0.11 -1.96 -3.17 132.00 127.96 2wpd h PRO 103 Ca 0.00 -0.07 0.34 0.00 0.11 0.00 0.00 66.00 66.38 2wpd h PRO 103 Cb 0.00 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 30.89 2wpd h PRO 103 CO 0.00 0.42 0.48 0.78 -0.21 0.00 0.00 178.00 179.47 2wpd h GLY 104 N 0.72 2.01 2.00 -0.55 0.00 -1.91 0.17 103.07 105.51 2wpd h GLY 104 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2wpd h GLY 104 CO 0.01 -0.60 -0.04 1.41 0.00 0.00 0.00 176.54 177.33 2wpd h LEU 105 N 0.17 0.00 -9.04 3.11 4.07 -1.78 -3.44 115.31 108.40 2wpd h LEU 105 Ca 0.75 0.00 -0.84 0.00 0.08 0.00 0.00 57.88 57.87 2wpd h LEU 105 Cb 1.79 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.55 2wpd h LEU 105 CO -0.70 0.04 0.68 0.18 -1.08 0.00 0.00 178.44 177.56 2wpd n LEU 106 N -4.20 1.36 0.00 1.67 4.77 0.59 0.65 117.00 121.83 2wpd n LEU 106 Ca -0.03 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2wpd n LEU 106 Cb 0.12 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 2wpd n LEU 106 CO 0.32 -0.85 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 2wpd n GLY 107 N 3.81 1.12 3.86 -0.72 0.00 -0.37 -4.96 105.19 107.93 2wpd n GLY 107 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 2wpd n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpd s ARG 108 N -0.39 3.08 -0.29 1.61 1.81 0.21 -4.96 118.95 120.02 2wpd s ARG 108 Ca 0.00 -0.93 0.02 0.00 -1.72 0.00 0.00 55.73 53.10 2wpd s ARG 108 Cb 0.00 -2.68 0.07 0.00 -0.45 0.00 0.00 34.95 31.89 2wpd s ARG 108 CO 0.00 0.43 -0.05 0.08 -0.68 0.00 0.00 175.30 175.08 2wpd s VAL 109 N -2.02 2.37 0.45 3.52 1.01 -1.26 -3.14 120.40 121.32 2wpd s VAL 109 Ca 0.33 -1.75 0.07 0.00 0.00 0.00 0.00 61.98 60.63 2wpd s VAL 109 Cb -0.09 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2wpd s VAL 109 CO 0.26 -0.18 0.32 0.68 0.00 0.00 0.00 175.10 176.18 2wpd s VAL 110 N 1.09 2.31 0.54 2.92 -7.23 -0.80 -1.16 120.40 118.07 2wpd s VAL 110 Ca -0.04 -1.49 0.07 0.00 -1.81 0.00 0.00 61.98 58.71 2wpd s VAL 110 Cb -0.20 -2.80 0.05 0.00 0.56 0.00 0.00 36.38 33.99 2wpd s VAL 110 CO -0.05 0.00 0.53 1.51 -0.31 0.00 0.00 175.10 176.78 2wpd s ASP 111 N -4.09 4.83 0.09 4.85 -4.77 -0.72 -1.28 116.67 115.58 2wpd s ASP 111 Ca 0.43 -1.06 -0.18 0.00 -3.30 0.00 0.00 52.55 48.44 2wpd s ASP 111 Cb -0.01 0.27 -0.04 0.00 -1.09 0.00 0.00 42.92 42.06 2wpd s ASP 111 CO 0.25 -1.14 0.96 0.00 0.70 0.00 0.00 175.17 175.94 2wpd n ALA 112 N -1.90 -0.36 0.31 2.11 0.00 -1.25 0.12 120.51 119.54 2wpd n ALA 112 Ca 0.05 0.48 0.20 0.00 0.00 0.00 0.00 53.44 54.17 2wpd n ALA 112 Cb 0.63 -0.04 0.99 0.00 0.00 0.00 0.00 19.45 21.03 2wpd n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wpd h LEU 113 N 0.00 0.00 0.00 0.00 3.38 -1.95 -3.45 115.31 113.29 2wpd h LEU 113 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wpd h LEU 113 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2wpd h LEU 113 CO -0.53 0.01 0.00 0.61 0.09 0.00 0.00 178.44 178.62 2wpd n GLY 114 N -0.67 1.06 3.78 0.83 0.00 0.32 -4.35 105.19 106.18 2wpd n GLY 114 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2wpd n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wpd s ASN 115 N -2.01 7.31 0.28 1.61 0.01 -1.26 -4.71 114.94 116.18 2wpd s ASN 115 Ca 0.00 1.86 -0.30 0.00 -0.71 0.00 0.00 52.86 53.71 2wpd s ASN 115 Cb 0.00 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 38.98 2wpd s ASN 115 CO 0.00 -0.09 1.42 -2.16 -1.51 0.00 0.00 177.10 174.76 2wpd s PRO 116 N -2.06 4.27 0.00 -0.60 0.04 -1.26 -1.76 135.00 133.63 2wpd s PRO 116 Ca 0.50 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.86 2wpd s PRO 116 Cb -0.19 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2wpd s PRO 116 CO 0.24 -0.39 0.61 0.44 0.04 0.00 0.00 177.00 177.95 2wpd n ILE 117 N 1.81 0.37 0.20 0.56 -5.35 -0.31 -4.71 119.36 111.94 2wpd n ILE 117 Ca 0.05 -0.49 0.11 0.00 -0.27 0.00 0.00 62.75 62.15 2wpd n ILE 117 Cb 0.40 0.96 -0.08 0.00 -1.74 0.00 0.00 39.64 39.18 2wpd n ILE 117 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2wpd n ASP 118 N -0.19 0.41 -1.81 7.28 5.68 -1.22 -5.03 116.55 121.67 2wpd n ASP 118 Ca 0.00 -0.02 -0.03 0.00 -0.50 0.00 0.00 54.79 54.24 2wpd n ASP 118 Cb 0.25 1.29 0.01 0.00 -1.14 0.00 0.00 41.12 41.54 2wpd n ASP 118 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wpd n GLY 119 N 1.28 0.46 1.46 6.12 0.00 -1.26 -5.00 105.19 108.25 2wpd n GLY 119 Ca -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.89 2wpd n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wpd n LYS 120 N -1.83 0.06 0.00 1.61 5.02 -1.26 -5.13 118.16 116.63 2wpd n LYS 120 Ca -0.02 -1.88 0.00 0.00 -2.02 0.00 0.00 58.31 54.39 2wpd n LYS 120 Cb 0.53 0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 2wpd n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wpd n GLY 121 N 0.37 1.14 3.76 0.72 0.00 -1.26 -5.00 105.19 104.92 2wpd n GLY 121 Ca 0.00 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 2wpd n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wpd s PRO 122 N -1.73 2.71 -0.46 1.61 0.04 -1.26 -4.82 135.00 131.08 2wpd s PRO 122 Ca 0.00 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 2wpd s PRO 122 Cb 0.00 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.63 2wpd s PRO 122 CO 0.00 -1.35 1.35 0.42 0.04 0.00 0.00 177.00 177.46 2wpd s ILE 123 N -2.15 3.95 -1.02 0.56 -1.09 -1.26 -4.97 121.20 115.22 2wpd s ILE 123 Ca 0.70 0.94 -0.22 0.00 -2.23 0.00 0.00 60.65 59.84 2wpd s ILE 123 Cb -0.23 -4.35 0.06 0.00 -1.58 0.00 0.00 42.46 36.36 2wpd s ILE 123 CO 0.40 -0.91 1.43 -0.62 -1.23 0.00 0.00 174.94 174.01 2wpd s ASP 124 N 3.69 6.53 0.27 3.58 2.15 -1.26 -5.00 116.67 126.63 2wpd s ASP 124 Ca 0.56 -1.57 -0.03 0.00 0.43 0.00 0.00 52.55 51.95 2wpd s ASP 124 Cb -0.11 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 2wpd s ASP 124 CO 0.31 -1.44 0.50 0.00 -0.17 0.00 0.00 175.17 174.37 2wpd s ALA 125 N 4.66 3.70 -0.13 3.66 0.00 -1.26 -3.90 121.76 128.49 2wpd s ALA 125 Ca 0.45 -0.71 0.12 0.00 0.00 0.00 0.00 51.96 51.82 2wpd s ALA 125 Cb -0.00 -2.17 -0.24 0.00 0.00 0.00 0.00 23.12 20.71 2wpd s ALA 125 CO -0.09 0.26 0.32 0.00 0.00 0.00 0.00 175.76 176.25 2wpd n ALA 126 N -0.98 1.43 -2.99 0.00 0.00 -0.25 -4.96 120.51 112.76 2wpd n ALA 126 Ca -0.03 -1.00 -0.12 0.00 0.00 0.00 0.00 53.44 52.29 2wpd n ALA 126 Cb 0.54 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 2wpd n ALA 126 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wpd s GLY 127 N -5.44 1.08 -0.09 0.00 0.00 -0.93 -5.03 107.32 96.91 2wpd s GLY 127 Ca -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.35 2wpd s GLY 127 CO 0.80 -0.86 -0.07 0.50 0.00 0.00 0.00 173.10 173.47 2wpd s ARG 128 N -3.46 1.37 0.16 2.90 0.52 -1.26 -0.13 118.95 119.05 2wpd s ARG 128 Ca 0.27 -0.23 0.10 0.00 -0.52 0.00 0.00 55.73 55.36 2wpd s ARG 128 Cb -0.00 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 34.04 2wpd s ARG 128 CO 0.15 -0.18 -0.20 0.45 0.02 0.00 0.00 175.30 175.53 2wpd s SER 129 N 1.41 3.68 0.99 0.23 0.15 -1.00 -4.92 113.70 114.24 2wpd s SER 129 Ca -0.01 -0.71 -0.12 0.00 0.70 0.00 0.00 55.95 55.81 2wpd s SER 129 Cb -0.13 -0.41 0.18 0.00 -1.71 0.00 0.00 66.02 63.95 2wpd s SER 129 CO -0.04 0.15 1.08 -0.13 1.20 0.00 0.00 173.24 175.50 2wpd s ARG 130 N -2.43 0.49 -0.06 5.44 0.52 -1.26 -1.63 118.95 120.02 2wpd s ARG 130 Ca 0.19 0.72 -0.26 0.00 -0.52 0.00 0.00 55.73 55.86 2wpd s ARG 130 Cb -0.09 -1.73 -0.21 0.00 0.52 0.00 0.00 34.95 33.44 2wpd s ARG 130 CO 0.10 -2.74 1.07 0.00 0.02 0.00 0.00 175.30 173.75 2wpd h ALA 131 N -1.91 -0.03 -2.28 2.13 0.00 -1.74 -3.42 119.26 112.01 2wpd h ALA 131 Ca -0.54 -0.31 -0.66 0.00 0.00 0.00 0.00 54.91 53.40 2wpd h ALA 131 Cb 1.31 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.96 2wpd h ALA 131 CO 0.55 -0.19 0.02 -0.65 0.00 0.00 0.00 179.25 178.98 2wpd s GLN 132 N -3.58 3.33 -0.00 0.00 -1.52 -1.26 -4.34 119.66 112.28 2wpd s GLN 132 Ca -0.16 -0.39 0.08 0.00 -1.95 0.00 0.00 55.36 52.93 2wpd s GLN 132 Cb 0.00 -3.92 -0.02 0.00 -0.22 0.00 0.00 33.01 28.85 2wpd s GLN 132 CO 0.65 -0.89 -0.24 0.08 -0.25 0.00 0.00 175.29 174.63 2wpd s VAL 133 N 2.59 1.94 0.32 1.09 1.01 -1.26 -5.11 120.40 120.98 2wpd s VAL 133 Ca 0.20 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 2wpd s VAL 133 Cb -0.15 -1.63 -0.11 0.00 0.00 0.00 0.00 36.38 34.50 2wpd s VAL 133 CO 0.17 0.49 1.47 -0.75 0.00 0.00 0.00 175.10 176.48 2wpd s LYS 134 N -0.73 4.18 0.65 2.72 2.20 -1.26 -4.97 119.74 122.53 2wpd s LYS 134 Ca 0.10 2.46 -0.18 0.00 -0.36 0.00 0.00 55.97 57.99 2wpd s LYS 134 Cb -0.09 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.19 2wpd s LYS 134 CO -0.00 -0.48 1.26 0.00 -0.36 0.00 0.00 175.35 175.78 2wpd s ALA 135 N -0.65 2.38 0.70 3.13 0.00 -1.26 -4.95 121.76 121.11 2wpd s ALA 135 Ca 0.56 1.13 -0.16 0.00 0.00 0.00 0.00 51.96 53.48 2wpd s ALA 135 Cb -0.45 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.15 2wpd s ALA 135 CO 0.54 -1.54 0.99 -2.30 0.00 0.00 0.00 175.76 173.45 2wpd n PRO 136 N -1.95 0.59 -1.06 0.00 -0.02 -1.26 -4.96 135.00 126.34 2wpd n PRO 136 Ca 0.15 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.59 2wpd n PRO 136 Cb 0.49 -2.24 0.16 0.00 -0.02 0.00 0.00 33.50 31.89 2wpd n PRO 136 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wpd s GLY 137 N -1.58 1.61 0.19 -1.23 0.00 -1.26 -4.96 107.32 100.09 2wpd s GLY 137 Ca 0.74 -0.02 -0.03 0.00 0.00 0.00 0.00 44.72 45.41 2wpd s GLY 137 CO 0.49 0.50 1.51 -2.22 0.00 0.00 0.00 173.10 173.38 2wpd h ILE 138 N -1.76 1.32 0.14 0.90 2.04 -2.01 -3.32 117.51 114.81 2wpd h ILE 138 Ca -0.51 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 63.59 2wpd h ILE 138 Cb 1.29 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2wpd h ILE 138 CO 0.53 0.55 -0.07 0.25 0.00 0.00 0.00 178.15 179.41 2wpd h LEU 139 N 0.45 -0.16 -4.84 1.44 5.85 -2.03 -3.34 115.31 112.67 2wpd h LEU 139 Ca 0.01 -0.32 -0.34 0.00 0.84 0.00 0.00 57.88 58.07 2wpd h LEU 139 Cb 1.06 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2wpd h LEU 139 CO 0.10 0.27 1.71 -0.81 -0.34 0.00 0.00 178.44 179.37 2wpd n PRO 140 N -4.98 2.18 -4.28 5.25 -0.04 -1.25 -4.86 135.00 127.02 2wpd n PRO 140 Ca -0.09 -1.31 -0.16 0.00 -0.04 0.00 0.00 63.50 61.91 2wpd n PRO 140 Cb 0.24 -2.28 -0.10 0.00 -0.04 0.00 0.00 33.50 31.33 2wpd n PRO 140 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wpd s ARG 141 N 2.33 1.16 0.01 0.54 1.81 -1.26 -2.14 118.95 121.41 2wpd s ARG 141 Ca 0.50 -1.51 0.01 0.00 -1.72 0.00 0.00 55.73 53.02 2wpd s ARG 141 Cb 0.18 -0.76 -0.01 0.00 -0.45 0.00 0.00 34.95 33.91 2wpd s ARG 141 CO -0.03 0.09 -0.04 0.50 -0.68 0.00 0.00 175.30 175.14 2wpd s ARG 142 N -3.73 0.34 0.26 3.54 6.06 -0.72 -4.25 118.95 120.45 2wpd s ARG 142 Ca 0.19 -0.30 -0.30 0.00 -2.50 0.00 0.00 55.73 52.82 2wpd s ARG 142 Cb 0.02 -0.25 -0.10 0.00 0.06 0.00 0.00 34.95 34.68 2wpd s ARG 142 CO 0.03 0.06 1.44 0.45 -2.50 0.00 0.00 175.30 174.78 2wpd s SER 143 N -0.51 6.64 0.07 -2.12 0.15 -1.26 -4.53 113.70 112.13 2wpd s SER 143 Ca -0.02 2.70 -0.30 0.00 0.70 0.00 0.00 55.95 59.02 2wpd s SER 143 Cb -0.04 -2.63 -0.09 0.00 -1.71 0.00 0.00 66.02 61.55 2wpd s SER 143 CO -0.00 -0.71 1.82 -0.69 1.20 0.00 0.00 173.24 174.86 2wpd s VAL 144 N -0.13 2.91 0.00 4.45 1.01 -1.26 -4.82 120.40 122.56 2wpd s VAL 144 Ca 0.58 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2wpd s VAL 144 Cb -0.42 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2wpd s VAL 144 CO 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.54 2wpd n HIS 145 N 6.40 0.00 -3.13 5.22 1.44 -1.26 -4.51 115.22 119.37 2wpd n HIS 145 Ca 0.18 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.49 2wpd n HIS 145 Cb 0.40 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.45 2wpd n HIS 145 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2wpd s GLU 146 N -0.33 4.20 0.86 -1.40 2.02 -1.26 -4.66 118.70 118.13 2wpd s GLU 146 Ca 0.00 0.58 -0.11 0.00 0.02 0.00 0.00 54.97 55.46 2wpd s GLU 146 Cb 0.00 -3.58 0.11 0.00 0.10 0.00 0.00 34.13 30.76 2wpd s GLU 146 CO 0.00 -0.25 1.09 -1.25 0.02 0.00 0.00 175.26 174.88 2wpd s PRO 147 N 1.94 1.52 -0.50 0.39 0.04 -1.19 0.14 135.00 137.33 2wpd s PRO 147 Ca 0.28 0.87 0.04 0.00 0.04 0.00 0.00 61.00 62.23 2wpd s PRO 147 Cb -0.16 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.71 2wpd s PRO 147 CO 0.10 -2.08 0.35 0.08 0.04 0.00 0.00 177.00 175.49 2wpd s VAL 148 N -2.94 1.32 -0.49 -0.36 1.01 0.22 -4.37 120.40 114.78 2wpd s VAL 148 Ca 0.63 -3.04 -0.36 0.00 0.00 0.00 0.00 61.98 59.21 2wpd s VAL 148 Cb -0.18 -1.90 -0.14 0.00 0.00 0.00 0.00 36.38 34.16 2wpd s VAL 148 CO 0.57 -1.07 2.28 0.00 0.00 0.00 0.00 175.10 176.87 2wpd n GLN 149 N 2.84 0.66 0.00 2.72 1.13 -1.26 -4.51 117.38 118.95 2wpd n GLN 149 Ca 0.21 0.15 0.12 0.00 -1.94 0.00 0.00 57.00 55.54 2wpd n GLN 149 Cb 0.40 -2.18 0.29 0.00 0.11 0.00 0.00 30.24 28.86 2wpd n GLN 149 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2wpd n THR 150 N 7.16 0.00 -0.13 5.09 -2.24 -1.26 -4.74 114.28 118.15 2wpd n THR 150 Ca 0.48 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 2wpd n THR 150 Cb 0.17 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2wpd n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpd n GLY 151 N 1.37 1.39 3.56 3.38 0.00 -1.26 -3.93 105.19 109.70 2wpd n GLY 151 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2wpd n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wpd s LEU 152 N 0.00 4.34 0.13 0.99 1.43 -1.26 -2.15 118.68 122.16 2wpd s LEU 152 Ca 0.00 -0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 2wpd s LEU 152 Cb 0.00 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2wpd s LEU 152 CO 0.00 -0.47 1.75 0.11 0.23 0.00 0.00 176.35 177.97 2wpd h LYS 153 N 8.45 0.20 -0.92 1.70 1.57 -1.92 0.20 116.57 125.85 2wpd h LYS 153 Ca -0.28 -0.01 0.26 0.00 -1.87 0.00 0.00 60.65 58.75 2wpd h LYS 153 Cb 1.13 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2wpd h LYS 153 CO 0.77 0.13 0.65 0.00 -0.57 0.00 0.00 179.45 180.44 2wpd h ALA 154 N 1.14 2.75 0.00 3.86 0.00 -1.93 -1.91 119.26 123.16 2wpd h ALA 154 Ca 0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2wpd h ALA 154 Cb 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wpd h ALA 154 CO -0.09 -1.03 -0.79 0.28 0.00 0.00 0.00 179.25 177.63 2wpd n VAL 155 N -4.31 1.46 0.27 0.00 0.31 -0.14 -3.19 118.33 112.73 2wpd n VAL 155 Ca 0.19 0.13 0.12 0.00 -0.01 0.00 0.00 64.34 64.78 2wpd n VAL 155 Cb 0.94 -2.27 0.58 0.00 -0.91 0.00 0.00 33.84 32.18 2wpd n VAL 155 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2wpd h ASP 156 N -1.00 0.00 0.05 4.52 3.32 -0.65 -0.01 116.42 122.65 2wpd h ASP 156 Ca -0.12 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.56 2wpd h ASP 156 Cb 0.78 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 2wpd h ASP 156 CO -0.07 0.00 -2.16 0.00 -1.72 0.00 0.00 179.24 175.28 2wpd n ALA 157 N -1.81 1.12 -0.04 3.45 0.00 -0.73 -4.54 120.51 117.97 2wpd n ALA 157 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 53.44 52.58 2wpd n ALA 157 Cb 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 2wpd n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wpd n LEU 158 N -3.60 0.89 -4.08 0.00 4.77 -1.05 -4.82 117.00 109.10 2wpd n LEU 158 Ca -0.40 0.34 -0.35 0.00 -0.03 0.00 0.00 56.01 55.57 2wpd n LEU 158 Cb 0.96 -0.66 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 2wpd n LEU 158 CO 0.29 -0.45 0.27 0.68 -1.33 0.00 0.00 177.39 176.85 2wpd s VAL 159 N -1.71 4.11 0.52 4.08 -7.23 -0.04 -4.83 120.40 115.31 2wpd s VAL 159 Ca -0.09 -3.85 -0.21 0.00 -1.81 0.00 0.00 61.98 56.01 2wpd s VAL 159 Cb 0.01 -3.58 -0.06 0.00 0.56 0.00 0.00 36.38 33.32 2wpd s VAL 159 CO 0.14 -1.06 1.18 -2.16 -0.31 0.00 0.00 175.10 172.89 2wpd s PRO 160 N -1.27 3.41 0.05 4.82 0.04 -1.12 -4.53 135.00 136.40 2wpd s PRO 160 Ca 0.26 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.06 2wpd s PRO 160 Cb -0.08 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2wpd s PRO 160 CO -0.12 -0.84 0.19 0.42 0.04 0.00 0.00 177.00 176.69 2wpd s ILE 161 N -1.62 5.32 -0.02 0.56 -1.09 -1.26 -4.73 121.20 118.36 2wpd s ILE 161 Ca 0.70 -0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 2wpd s ILE 161 Cb -0.28 -3.57 -0.00 0.00 -1.58 0.00 0.00 42.46 37.02 2wpd s ILE 161 CO 0.33 0.17 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.29 2wpd s GLY 162 N -2.40 0.49 -0.45 6.18 0.00 -1.26 -0.61 107.32 109.26 2wpd s GLY 162 Ca 0.33 -0.34 -0.26 0.00 0.00 0.00 0.00 44.72 44.45 2wpd s GLY 162 CO 0.26 -0.16 2.34 0.50 0.00 0.00 0.00 173.10 176.03 2wpd s ARG 163 N 0.05 2.31 0.00 2.90 0.52 0.12 -1.72 118.95 123.14 2wpd s ARG 163 Ca -0.01 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 2wpd s ARG 163 Cb -0.07 -4.53 0.00 0.00 0.52 0.00 0.00 34.95 30.87 2wpd s ARG 163 CO 0.00 -3.04 0.00 0.41 0.02 0.00 0.00 175.30 172.69 2wpd n GLY 164 N 5.94 0.18 3.79 -3.53 0.00 -1.26 -4.62 105.19 105.70 2wpd n GLY 164 Ca 0.34 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 2wpd n GLY 164 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wpd s GLN 165 N 0.00 2.29 -0.30 1.61 -2.07 -0.70 -3.93 119.66 116.57 2wpd s GLN 165 Ca 0.00 -1.83 0.02 0.00 -1.82 0.00 0.00 55.36 51.73 2wpd s GLN 165 Cb 0.00 -2.06 0.09 0.00 -1.09 0.00 0.00 33.01 29.94 2wpd s GLN 165 CO 0.00 -0.21 0.02 -0.98 -1.32 0.00 0.00 175.29 172.79 2wpd s ARG 166 N -4.00 1.45 -0.36 9.60 3.03 -1.26 -1.41 118.95 126.00 2wpd s ARG 166 Ca 0.40 -1.44 -0.18 0.00 2.03 0.00 0.00 55.73 56.54 2wpd s ARG 166 Cb 0.02 -2.78 -0.00 0.00 -1.03 0.00 0.00 34.95 31.16 2wpd s ARG 166 CO 0.23 -0.82 0.53 -2.00 -1.13 0.00 0.00 175.30 172.10 2wpd s GLU 167 N 1.19 3.57 0.62 3.89 2.56 -0.27 -0.49 118.70 129.77 2wpd s GLU 167 Ca 0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 54.97 54.66 2wpd s GLU 167 Cb -0.19 -3.83 -0.02 0.00 2.00 0.00 0.00 34.13 32.10 2wpd s GLU 167 CO -0.11 -0.68 1.12 -1.17 -0.56 0.00 0.00 175.26 173.86 2wpd s LEU 168 N 2.43 3.51 -0.56 2.70 2.96 -0.58 -4.05 118.68 125.08 2wpd s LEU 168 Ca 0.19 2.06 0.05 0.00 -0.22 0.00 0.00 54.13 56.21 2wpd s LEU 168 Cb -0.15 -4.56 0.19 0.00 0.50 0.00 0.00 46.19 42.16 2wpd s LEU 168 CO 0.14 -1.50 0.47 -0.38 -1.32 0.00 0.00 176.35 173.76 2wpd n ILE 169 N -2.05 0.47 -3.51 6.68 5.41 -0.47 -0.62 119.36 125.27 2wpd n ILE 169 Ca 0.11 -4.31 -0.35 0.00 1.00 0.00 0.00 62.75 59.20 2wpd n ILE 169 Cb 0.52 -1.96 -0.06 0.00 -0.71 0.00 0.00 39.64 37.43 2wpd n ILE 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 2wpd s ILE 170 N -1.02 5.02 0.00 1.39 2.07 -1.24 -3.17 121.20 124.24 2wpd s ILE 170 Ca 0.31 0.57 0.00 0.00 -1.41 0.00 0.00 60.65 60.12 2wpd s ILE 170 Cb 0.03 -3.67 0.00 0.00 0.13 0.00 0.00 42.46 38.95 2wpd s ILE 170 CO -0.16 0.28 0.00 0.61 -1.91 0.00 0.00 174.94 173.76 2wpd n GLY 171 N 0.88 0.92 3.75 1.50 0.00 -1.18 -1.95 105.19 109.11 2wpd n GLY 171 Ca -0.07 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 2wpd n GLY 171 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wpd n ASP 172 N 0.00 -0.83 -4.78 1.61 9.92 -1.26 -2.15 116.55 119.07 2wpd n ASP 172 Ca 0.00 -1.36 -0.36 0.00 -0.53 0.00 0.00 54.79 52.55 2wpd n ASP 172 Cb 0.00 -1.02 -0.01 0.00 -0.64 0.00 0.00 41.12 39.45 2wpd n ASP 172 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wpd s ARG 173 N -5.76 3.56 -1.15 -1.24 1.70 -1.26 -4.00 118.95 110.80 2wpd s ARG 173 Ca 0.74 1.63 -0.04 0.00 -0.47 0.00 0.00 55.73 57.59 2wpd s ARG 173 Cb -0.04 -2.15 -0.03 0.00 -0.57 0.00 0.00 34.95 32.16 2wpd s ARG 173 CO 0.54 -0.68 0.92 1.04 -1.08 0.00 0.00 175.30 176.03 2wpd n GLN 174 N -0.97 -4.25 0.00 3.89 1.13 -1.26 -4.93 117.38 110.99 2wpd n GLN 174 Ca 0.10 0.80 0.00 0.00 -1.94 0.00 0.00 57.00 55.96 2wpd n GLN 174 Cb 0.50 -5.65 0.00 0.00 0.11 0.00 0.00 30.24 25.20 2wpd n GLN 174 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2wpd n THR 175 N -3.78 0.00 0.00 5.09 -2.24 -1.26 -4.94 114.28 107.15 2wpd n THR 175 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2wpd n THR 175 Cb 0.65 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2wpd n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpd n GLY 176 N 2.84 0.14 0.12 3.38 0.00 -1.26 -4.68 105.19 105.71 2wpd n GLY 176 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2wpd n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpd h LYS 177 N 0.00 -0.16 -0.96 1.61 1.57 -1.92 -3.08 116.57 113.64 2wpd h LYS 177 Ca 0.00 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2wpd h LYS 177 Cb 0.00 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 2wpd h LYS 177 CO 0.00 0.31 0.62 1.15 -0.57 0.00 0.00 179.45 180.96 2wpd h THR 178 N -0.85 1.12 -0.33 -0.16 2.02 -1.98 -2.90 112.91 109.83 2wpd h THR 178 Ca -0.02 -0.40 0.07 0.00 0.77 0.00 0.00 66.41 66.83 2wpd h THR 178 Cb 0.55 -0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 66.73 2wpd h THR 178 CO 0.03 0.21 -0.37 0.00 0.37 0.00 0.00 175.52 175.76 2wpd h ALA 179 N 1.42 -0.34 -0.33 6.16 0.00 -1.97 0.40 119.26 124.60 2wpd h ALA 179 Ca 0.40 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.44 2wpd h ALA 179 Cb 0.08 0.76 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2wpd h ALA 179 CO -0.15 -0.80 -0.14 0.28 0.00 0.00 0.00 179.25 178.43 2wpd h VAL 180 N -0.33 0.54 0.12 0.00 2.07 -1.42 -0.75 116.25 116.48 2wpd h VAL 180 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 2wpd h VAL 180 Cb 0.57 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2wpd h VAL 180 CO -0.50 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.03 2wpd h ALA 181 N 1.17 -0.16 -0.33 1.67 0.00 -1.26 -2.94 119.26 117.41 2wpd h ALA 181 Ca 0.17 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2wpd h ALA 181 Cb 0.34 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2wpd h ALA 181 CO -0.39 -0.57 0.03 1.25 0.00 0.00 0.00 179.25 179.58 2wpd h LEU 182 N -0.18 -0.06 -1.32 0.00 5.85 0.45 -1.22 115.31 118.84 2wpd h LEU 182 Ca -0.02 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2wpd h LEU 182 Cb 0.14 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2wpd h LEU 182 CO 0.03 0.01 0.48 0.44 -0.34 0.00 0.00 178.44 179.05 2wpd h ASP 183 N 0.14 0.78 -0.11 1.25 3.32 -1.16 -2.34 116.42 118.29 2wpd h ASP 183 Ca 0.16 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.24 2wpd h ASP 183 Cb 0.20 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 2wpd h ASP 183 CO -0.23 0.55 -0.16 0.74 -1.72 0.00 0.00 179.24 178.41 2wpd h THR 184 N 0.91 0.57 -0.82 0.35 2.02 -1.04 -0.54 112.91 114.36 2wpd h THR 184 Ca 0.28 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.51 2wpd h THR 184 Cb -0.00 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 2wpd h THR 184 CO -0.07 0.00 0.50 0.40 0.37 0.00 0.00 175.52 176.72 2wpd h ILE 185 N -0.21 1.05 -0.40 3.11 2.04 -1.20 -1.41 117.51 120.49 2wpd h ILE 185 Ca 0.09 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2wpd h ILE 185 Cb 0.34 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2wpd h ILE 185 CO -0.24 0.17 0.11 -0.07 0.00 0.00 0.00 178.15 178.12 2wpd h LEU 186 N 0.93 0.53 -1.36 1.44 3.38 -0.97 -2.41 115.31 116.85 2wpd h LEU 186 Ca 0.35 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 2wpd h LEU 186 Cb 0.14 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wpd h LEU 186 CO -0.16 0.52 -0.14 -1.13 0.09 0.00 0.00 178.44 177.62 2wpd h ASN 187 N 0.57 0.00 0.71 -0.43 -1.24 -0.00 -2.96 115.58 112.22 2wpd h ASN 187 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.14 2wpd h ASN 187 Cb 0.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.25 2wpd h ASN 187 CO -0.01 0.14 0.00 0.00 -1.29 0.00 0.00 177.43 176.28 2wpd n GLN 188 N -3.34 0.17 0.33 6.67 1.13 -0.91 -2.63 117.38 118.80 2wpd n GLN 188 Ca -0.00 0.39 0.21 0.00 -1.94 0.00 0.00 57.00 55.66 2wpd n GLN 188 Cb 0.36 -1.81 1.11 0.00 0.11 0.00 0.00 30.24 30.00 2wpd n GLN 188 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2wpd h LYS 189 N 0.00 0.00 0.00 -1.09 3.64 -1.66 -1.19 116.57 116.26 2wpd h LYS 189 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wpd h LYS 189 Cb 0.35 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2wpd h LYS 189 CO 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.16 2wpd h ARG 190 N 0.00 0.00 0.00 1.90 3.08 -1.77 -3.31 114.38 114.28 2wpd h ARG 190 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wpd h ARG 190 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2wpd h ARG 190 CO -0.00 0.02 -0.56 0.91 -1.07 0.00 0.00 179.97 179.27 2wpd n TRP 191 N -3.17 0.00 0.22 3.04 8.01 -0.51 -4.74 117.44 120.28 2wpd n TRP 191 Ca -0.01 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.27 2wpd n TRP 191 Cb 0.21 0.00 0.45 0.00 -2.01 0.00 0.00 31.31 29.96 2wpd n TRP 191 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 2wpd h ASN 192 N 0.00 0.00 0.10 -0.99 2.35 -1.51 -2.01 115.58 113.52 2wpd h ASN 192 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wpd h ASN 192 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2wpd h ASN 192 CO 0.00 0.25 -0.01 0.59 -1.65 0.00 0.00 177.43 176.61 2wpd n ASN 193 N -3.43 0.19 -2.49 5.81 4.13 -1.25 -4.88 115.26 113.36 2wpd n ASN 193 Ca -0.00 -0.91 -0.06 0.00 1.68 0.00 0.00 54.58 55.29 2wpd n ASN 193 Cb 0.43 -0.04 0.04 0.00 -1.54 0.00 0.00 39.78 38.67 2wpd n ASN 193 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wpd n GLY 194 N 1.08 -0.50 0.13 7.41 0.00 -0.76 -5.04 105.19 107.51 2wpd n GLY 194 Ca 0.22 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.28 2wpd n GLY 194 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wpd n SER 195 N -3.12 1.98 -4.74 1.61 3.41 -1.26 -4.95 113.62 106.55 2wpd n SER 195 Ca 0.04 -0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 2wpd n SER 195 Cb 0.13 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 2wpd n SER 195 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2wpd n ASP 196 N -3.23 3.93 -0.08 4.04 -0.08 -1.26 -4.95 116.55 114.92 2wpd n ASP 196 Ca -0.44 1.13 -0.22 0.00 -1.51 0.00 0.00 54.79 53.75 2wpd n ASP 196 Cb 0.98 -1.59 -0.12 0.00 2.34 0.00 0.00 41.12 42.73 2wpd n ASP 196 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2wpd h GLU 197 N 5.24 0.06 0.00 -0.67 4.39 -1.94 -3.36 114.58 118.30 2wpd h GLU 197 Ca -0.46 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.13 2wpd h GLU 197 Cb 1.22 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2wpd h GLU 197 CO 0.83 1.05 0.01 -1.13 -1.16 0.00 0.00 179.01 178.61 2wpd n SER 198 N -4.23 0.00 -0.07 1.42 3.41 -1.26 -1.33 113.62 111.56 2wpd n SER 198 Ca -0.32 0.31 -0.05 0.00 -0.26 0.00 0.00 58.87 58.55 2wpd n SER 198 Cb 0.76 -0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 2wpd n SER 198 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wpd n LYS 199 N -1.31 1.18 -0.80 4.33 5.02 -1.26 -4.96 118.16 120.36 2wpd n LYS 199 Ca 0.00 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 55.96 2wpd n LYS 199 Cb 0.01 -1.42 0.24 0.00 -0.02 0.00 0.00 35.03 33.84 2wpd n LYS 199 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wpd s LYS 200 N -2.55 -1.23 -0.30 1.97 1.02 -0.44 -4.91 119.74 113.29 2wpd s LYS 200 Ca -0.08 0.32 0.05 0.00 0.02 0.00 0.00 55.97 56.28 2wpd s LYS 200 Cb 0.06 -1.56 0.19 0.00 -0.52 0.00 0.00 37.83 36.00 2wpd s LYS 200 CO 0.68 -3.80 0.54 -1.17 -0.92 0.00 0.00 175.35 170.69 2wpd s LEU 201 N -7.13 -1.39 0.41 3.17 2.96 -1.26 -4.60 118.68 110.85 2wpd s LEU 201 Ca 0.68 -0.08 -0.24 0.00 -0.22 0.00 0.00 54.13 54.28 2wpd s LEU 201 Cb -0.16 1.77 -0.09 0.00 0.50 0.00 0.00 46.19 48.21 2wpd s LEU 201 CO 0.59 -0.30 1.08 -0.31 -1.32 0.00 0.00 176.35 176.09 2wpd s TYR 202 N 2.64 3.17 -0.07 5.38 2.02 -1.03 -4.81 117.35 124.65 2wpd s TYR 202 Ca 0.11 1.61 0.04 0.00 -0.37 0.00 0.00 57.07 58.47 2wpd s TYR 202 Cb -0.10 -3.19 -0.01 0.00 -0.40 0.00 0.00 41.96 38.26 2wpd s TYR 202 CO -0.25 -0.84 -0.21 0.00 -1.57 0.00 0.00 175.55 172.69 2wpd s VAL 204 N -0.19 1.83 -0.03 0.00 1.01 0.18 -1.06 120.40 122.14 2wpd s VAL 204 Ca -0.02 -1.93 -0.25 0.00 0.00 0.00 0.00 61.98 59.77 2wpd s VAL 204 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2wpd s VAL 204 CO 0.03 -0.53 0.78 -0.47 0.00 0.00 0.00 175.10 174.92 2wpd s TYR 205 N 1.15 3.62 -0.52 5.22 6.14 -0.43 -0.08 117.35 132.46 2wpd s TYR 205 Ca 0.08 1.39 0.03 0.00 0.64 0.00 0.00 57.07 59.21 2wpd s TYR 205 Cb -0.19 -2.88 0.13 0.00 0.42 0.00 0.00 41.96 39.44 2wpd s TYR 205 CO -0.12 0.09 0.27 0.08 0.64 0.00 0.00 175.55 176.51 2wpd s VAL 206 N 0.72 2.72 -0.14 3.14 1.01 -0.19 -1.43 120.40 126.24 2wpd s VAL 206 Ca 0.41 -3.19 -0.29 0.00 0.00 0.00 0.00 61.98 58.91 2wpd s VAL 206 Cb -0.19 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2wpd s VAL 206 CO 0.21 -0.79 1.28 0.00 0.00 0.00 0.00 175.10 175.80 2wpd s ALA 207 N -0.16 3.63 -0.07 5.51 0.00 -0.63 -2.37 121.76 127.68 2wpd s ALA 207 Ca 0.16 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 2wpd s ALA 207 Cb -0.25 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.29 2wpd s ALA 207 CO -0.01 -1.12 -0.02 0.08 0.00 0.00 0.00 175.76 174.69 2wpd s VAL 208 N 3.31 0.47 0.00 0.00 1.01 -0.01 -1.17 120.40 124.01 2wpd s VAL 208 Ca 0.56 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2wpd s VAL 208 Cb -0.23 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2wpd s VAL 208 CO 0.17 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2wpd n GLY 209 N 4.89 2.63 3.79 4.51 0.00 -0.87 -3.28 105.19 116.86 2wpd n GLY 209 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2wpd n GLY 209 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wpd s GLN 210 N -0.57 2.62 0.37 1.61 -0.21 -1.26 -3.92 119.66 118.30 2wpd s GLN 210 Ca 0.00 1.12 -0.13 0.00 0.02 0.00 0.00 55.36 56.37 2wpd s GLN 210 Cb 0.00 -1.94 -0.08 0.00 1.00 0.00 0.00 33.01 31.99 2wpd s GLN 210 CO 0.00 -1.36 0.77 -1.59 -2.12 0.00 0.00 175.29 170.99 2wpd s LYS 211 N -4.80 3.92 0.48 2.91 -2.85 -1.26 -2.34 119.74 115.80 2wpd s LYS 211 Ca 0.61 0.62 0.16 0.00 -1.00 0.00 0.00 55.97 56.36 2wpd s LYS 211 Cb -0.16 -2.39 1.16 0.00 -2.06 0.00 0.00 37.83 34.38 2wpd s LYS 211 CO 0.53 0.05 2.04 0.00 0.10 0.00 0.00 175.35 178.07 2wpd h ARG 212 N 1.77 0.21 -0.29 1.78 3.08 -1.97 -1.85 114.38 117.11 2wpd h ARG 212 Ca -0.48 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.62 2wpd h ARG 212 Cb 1.18 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 2wpd h ARG 212 CO 0.64 0.14 -0.12 1.03 -1.07 0.00 0.00 179.97 180.59 2wpd h SER 213 N 0.22 -0.41 -0.08 7.04 0.87 -2.00 -1.23 113.55 117.96 2wpd h SER 213 Ca 0.17 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2wpd h SER 213 Cb 0.42 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2wpd h SER 213 CO -0.03 -0.15 -0.00 0.74 -0.53 0.00 0.00 176.83 176.85 2wpd h THR 214 N -0.07 1.25 -0.86 2.23 2.02 -1.74 -2.61 112.91 113.13 2wpd h THR 214 Ca 0.15 -0.80 0.10 0.00 0.77 0.00 0.00 66.41 66.62 2wpd h THR 214 Cb 0.29 1.63 -0.07 0.00 -1.74 0.00 0.00 68.15 68.26 2wpd h THR 214 CO -0.34 0.22 0.51 0.58 0.37 0.00 0.00 175.52 176.87 2wpd h VAL 215 N -0.14 0.93 -0.94 3.16 2.07 -1.32 0.11 116.25 120.12 2wpd h VAL 215 Ca 0.02 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2wpd h VAL 215 Cb 0.35 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 2wpd h VAL 215 CO 0.00 0.16 0.58 0.00 0.02 0.00 0.00 177.57 178.33 2wpd h ALA 216 N 1.47 1.26 -0.05 1.67 0.00 -1.06 -0.86 119.26 121.67 2wpd h ALA 216 Ca 0.41 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 2wpd h ALA 216 Cb 0.36 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wpd h ALA 216 CO -0.24 0.65 -0.78 0.37 0.00 0.00 0.00 179.25 179.25 2wpd h GLN 217 N 1.29 0.38 0.21 0.00 4.15 -0.75 -1.88 115.11 118.51 2wpd h GLN 217 Ca 0.34 -0.34 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2wpd h GLN 217 Cb -0.08 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2wpd h GLN 217 CO -0.07 0.99 -0.10 1.25 -1.93 0.00 0.00 178.83 178.97 2wpd h LEU 218 N 0.25 -0.24 -1.88 -2.39 5.85 -0.25 -1.47 115.31 115.18 2wpd h LEU 218 Ca -0.04 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2wpd h LEU 218 Cb 1.37 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 2wpd h LEU 218 CO 0.13 -0.03 -0.05 -0.37 -0.34 0.00 0.00 178.44 177.79 2wpd h VAL 219 N -0.44 1.04 -0.47 1.05 -1.51 -1.21 -0.72 116.25 113.99 2wpd h VAL 219 Ca -0.03 -0.19 -0.05 0.00 -1.23 0.00 0.00 66.70 65.19 2wpd h VAL 219 Cb 0.34 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 2wpd h VAL 219 CO 0.05 0.06 0.08 -0.61 -1.23 0.00 0.00 177.57 175.92 2wpd h GLN 220 N 0.02 0.78 -0.49 5.19 4.15 -1.05 -2.75 115.11 120.95 2wpd h GLN 220 Ca 0.00 -0.21 -0.11 0.00 0.77 0.00 0.00 58.65 59.11 2wpd h GLN 220 Cb 0.10 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2wpd h GLN 220 CO 0.01 0.78 -0.12 1.15 -1.93 0.00 0.00 178.83 178.72 2wpd h THR 221 N 0.65 1.27 -0.46 2.39 2.02 -0.09 -1.77 112.91 116.91 2wpd h THR 221 Ca 0.14 -1.25 0.02 0.00 0.77 0.00 0.00 66.41 66.10 2wpd h THR 221 Cb 0.38 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 2wpd h THR 221 CO 0.01 0.43 0.27 -0.07 0.37 0.00 0.00 175.52 176.53 2wpd h LEU 222 N 0.82 0.44 -1.11 2.58 3.38 -1.26 -2.16 115.31 117.99 2wpd h LEU 222 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2wpd h LEU 222 Cb 0.66 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2wpd h LEU 222 CO 0.05 0.31 0.17 -0.33 0.09 0.00 0.00 178.44 178.73 2wpd h GLU 223 N 0.54 0.80 0.00 1.13 5.08 -1.23 0.30 114.58 121.21 2wpd h GLU 223 Ca 0.18 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2wpd h GLU 223 Cb 0.02 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2wpd h GLU 223 CO -0.09 0.69 0.00 1.04 -1.00 0.00 0.00 179.01 179.66 2wpd n GLN 224 N -4.31 0.07 -0.07 2.33 6.02 -0.69 -1.32 117.38 119.41 2wpd n GLN 224 Ca 0.04 0.47 0.07 0.00 -0.01 0.00 0.00 57.00 57.57 2wpd n GLN 224 Cb 0.19 -1.68 0.10 0.00 1.02 0.00 0.00 30.24 29.88 2wpd n GLN 224 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2wpd n HIS 225 N -1.81 0.00 -4.04 1.08 8.25 -0.62 -4.99 115.22 113.08 2wpd n HIS 225 Ca 0.01 -0.83 -0.31 0.00 -0.26 0.00 0.00 57.72 56.33 2wpd n HIS 225 Cb 0.08 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 2wpd n HIS 225 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wpd n ASP 226 N -1.15 -1.06 -0.03 0.41 2.03 -0.44 -4.83 116.55 111.47 2wpd n ASP 226 Ca 0.12 -1.13 0.00 0.00 0.52 0.00 0.00 54.79 54.30 2wpd n ASP 226 Cb 0.56 -2.47 0.00 0.00 -0.72 0.00 0.00 41.12 38.49 2wpd n ASP 226 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wpd n ALA 227 N -4.52 2.44 0.19 -1.67 0.00 -0.00 -4.62 120.51 112.33 2wpd n ALA 227 Ca -0.26 -0.57 0.10 0.00 0.00 0.00 0.00 53.44 52.70 2wpd n ALA 227 Cb 0.66 -0.03 0.12 0.00 0.00 0.00 0.00 19.45 20.20 2wpd n ALA 227 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2wpd h MET 228 N 0.16 0.00 0.00 0.00 1.85 -1.88 -3.29 114.93 111.77 2wpd h MET 228 Ca 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 2wpd h MET 228 Cb 0.10 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 2wpd h MET 228 CO 0.00 0.11 -0.39 1.57 -0.40 0.00 0.00 176.91 177.80 2wpd h LYS 229 N 0.00 0.00 -0.33 0.39 2.10 -1.92 -2.53 116.57 114.28 2wpd h LYS 229 Ca -0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 2wpd h LYS 229 Cb 1.09 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.38 2wpd h LYS 229 CO 0.01 0.39 0.01 2.48 -2.00 0.00 0.00 179.45 180.35 2wpd n TYR 230 N -3.97 1.12 -4.95 0.07 0.18 -1.25 -4.29 117.16 104.08 2wpd n TYR 230 Ca -0.02 -1.12 -0.28 0.00 1.88 0.00 0.00 57.90 58.36 2wpd n TYR 230 Cb 0.44 -0.40 -0.16 0.00 -0.38 0.00 0.00 39.34 38.83 2wpd n TYR 230 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2wpd s SER 231 N -2.04 2.42 -0.07 9.48 0.15 -0.96 -2.00 113.70 120.67 2wpd s SER 231 Ca 0.44 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.71 2wpd s SER 231 Cb 0.37 -0.75 -0.02 0.00 -1.71 0.00 0.00 66.02 63.90 2wpd s SER 231 CO 0.07 0.16 -0.14 -0.63 1.20 0.00 0.00 173.24 173.90 2wpd s ILE 232 N 0.08 3.07 -0.06 6.45 1.01 -0.22 -1.23 121.20 130.29 2wpd s ILE 232 Ca -0.06 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 59.94 2wpd s ILE 232 Cb -0.13 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 2wpd s ILE 232 CO 0.03 0.57 -0.22 -0.63 0.00 0.00 0.00 174.94 174.70 2wpd s ILE 233 N -0.41 1.81 -0.17 2.92 -1.09 -1.19 -1.31 121.20 121.76 2wpd s ILE 233 Ca 0.05 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 2wpd s ILE 233 Cb -0.12 -1.54 0.02 0.00 -1.58 0.00 0.00 42.46 39.23 2wpd s ILE 233 CO 0.02 0.51 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.35 2wpd s VAL 234 N -0.02 2.05 -0.18 2.92 1.01 -0.51 -1.90 120.40 123.76 2wpd s VAL 234 Ca -0.05 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 2wpd s VAL 234 Cb -0.13 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2wpd s VAL 234 CO 0.04 0.54 0.08 0.00 0.00 0.00 0.00 175.10 175.76 2wpd s ALA 235 N 1.22 3.51 -0.38 5.51 0.00 -0.40 -1.60 121.76 129.62 2wpd s ALA 235 Ca 0.03 -0.72 0.11 0.00 0.00 0.00 0.00 51.96 51.38 2wpd s ALA 235 Cb -0.13 -1.99 0.34 0.00 0.00 0.00 0.00 23.12 21.33 2wpd s ALA 235 CO -0.11 0.19 0.72 0.00 0.00 0.00 0.00 175.76 176.56 2wpd n ALA 236 N 3.47 1.94 -0.65 0.00 0.00 -0.32 -3.89 120.51 121.06 2wpd n ALA 236 Ca -0.16 -3.32 -0.31 0.00 0.00 0.00 0.00 53.44 49.64 2wpd n ALA 236 Cb 0.52 -0.93 0.18 0.00 0.00 0.00 0.00 19.45 19.23 2wpd n ALA 236 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wpd n THR 237 N 0.42 0.00 -0.34 0.00 -2.24 -1.26 -2.05 114.28 108.81 2wpd n THR 237 Ca 0.24 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 2wpd n THR 237 Cb 0.65 -0.84 0.09 0.00 -2.10 0.00 0.00 70.33 68.13 2wpd n THR 237 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wpd h ALA 238 N -2.08 1.17 -0.82 6.98 0.00 -1.58 -2.78 119.26 120.16 2wpd h ALA 238 Ca -0.50 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.38 2wpd h ALA 238 Cb 1.31 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2wpd h ALA 238 CO 0.41 0.65 0.53 0.66 0.00 0.00 0.00 179.25 181.51 2wpd h SER 239 N 1.27 0.71 -2.97 0.00 4.64 -1.90 -3.44 113.55 111.87 2wpd h SER 239 Ca 0.33 0.02 -0.44 0.00 -0.47 0.00 0.00 61.79 61.22 2wpd h SER 239 Cb -0.01 -0.13 0.22 0.00 -0.31 0.00 0.00 62.40 62.17 2wpd h SER 239 CO -0.06 0.43 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.46 2wpd n GLU 240 N -4.51 -2.44 -2.38 4.77 1.02 -1.05 -4.95 120.64 111.11 2wpd n GLU 240 Ca 0.13 -0.69 -0.35 0.00 -0.02 0.00 0.00 57.16 56.24 2wpd n GLU 240 Cb 0.30 -2.06 -0.01 0.00 -0.02 0.00 0.00 31.44 29.65 2wpd n GLU 240 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wpd s ALA 241 N -2.35 2.79 0.28 0.62 0.00 -1.26 -4.91 121.76 116.93 2wpd s ALA 241 Ca 0.66 0.75 0.02 0.00 0.00 0.00 0.00 51.96 53.39 2wpd s ALA 241 Cb -0.23 -3.32 0.63 0.00 0.00 0.00 0.00 23.12 20.20 2wpd s ALA 241 CO 0.66 -0.57 1.75 0.00 0.00 0.00 0.00 175.76 177.60 2wpd h ALA 242 N 1.41 1.42 0.00 0.00 0.00 -1.91 -0.28 119.26 119.90 2wpd h ALA 242 Ca -0.50 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2wpd h ALA 242 Cb 1.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wpd h ALA 242 CO 0.58 -0.12 -0.04 -1.35 0.00 0.00 0.00 179.25 178.31 2wpd h PRO 243 N 0.62 0.00 0.05 0.00 0.11 -1.89 -1.19 132.00 129.70 2wpd h PRO 243 Ca 0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.62 2wpd h PRO 243 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2wpd h PRO 243 CO -0.40 0.04 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.34 2wpd h LEU 244 N 0.00 -0.06 -1.71 2.35 3.38 -1.38 -1.75 115.31 116.15 2wpd h LEU 244 Ca -0.00 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.51 2wpd h LEU 244 Cb 0.13 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2wpd h LEU 244 CO 0.01 0.52 0.31 1.56 0.09 0.00 0.00 178.44 180.93 2wpd h GLN 245 N -0.67 0.35 -0.06 1.13 4.20 -1.37 0.21 115.11 118.91 2wpd h GLN 245 Ca -0.01 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.45 2wpd h GLN 245 Cb 0.58 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.29 2wpd h GLN 245 CO 0.01 0.23 -0.90 -0.92 -0.67 0.00 0.00 178.83 176.58 2wpd h TYR 246 N 0.36 0.89 0.00 2.96 3.20 -1.23 -3.30 116.97 119.86 2wpd h TYR 246 Ca 0.20 -0.45 -0.03 0.00 3.14 0.00 0.00 58.73 61.60 2wpd h TYR 246 Cb 0.34 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2wpd h TYR 246 CO -0.00 1.27 -0.68 1.25 -1.64 0.00 0.00 178.16 178.36 2wpd h LEU 247 N 0.39 0.00 -0.49 2.82 5.85 -0.66 -3.39 115.31 119.82 2wpd h LEU 247 Ca -0.08 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.74 2wpd h LEU 247 Cb 1.53 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.46 2wpd h LEU 247 CO 0.17 0.12 -0.21 0.00 -0.34 0.00 0.00 178.44 178.18 2wpd h ALA 248 N 1.88 0.16 -0.44 1.25 0.00 -0.68 -1.90 119.26 119.52 2wpd h ALA 248 Ca -0.02 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2wpd h ALA 248 Cb 1.11 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 2wpd h ALA 248 CO 0.01 -0.54 0.19 -1.35 0.00 0.00 0.00 179.25 177.56 2wpd h PRO 249 N -0.10 0.65 -0.08 0.00 0.11 -1.78 -1.34 132.00 129.46 2wpd h PRO 249 Ca 0.23 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 2wpd h PRO 249 Cb 0.46 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 2wpd h PRO 249 CO -0.56 0.59 0.03 0.74 -0.21 0.00 0.00 178.00 178.59 2wpd h PHE 250 N 0.57 0.11 -0.39 0.65 0.04 -1.63 -0.14 116.94 116.16 2wpd h PHE 250 Ca 0.15 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2wpd h PHE 250 Cb 0.17 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 2wpd h PHE 250 CO -0.00 0.22 0.24 1.79 -0.60 0.00 0.00 178.31 179.96 2wpd h THR 251 N -0.02 1.12 -0.77 -1.55 1.35 -1.39 -2.48 112.91 109.17 2wpd h THR 251 Ca 0.03 -0.25 0.10 0.00 -0.55 0.00 0.00 66.41 65.73 2wpd h THR 251 Cb 0.15 0.59 -0.05 0.00 -1.73 0.00 0.00 68.15 67.11 2wpd h THR 251 CO -0.00 0.12 0.51 0.00 -0.25 0.00 0.00 175.52 175.89 2wpd h ALA 252 N 1.12 1.80 -0.48 6.62 0.00 -0.89 -1.53 119.26 125.91 2wpd h ALA 252 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2wpd h ALA 252 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wpd h ALA 252 CO -0.03 0.04 0.04 0.00 0.00 0.00 0.00 179.25 179.30 2wpd h ALA 253 N 1.61 0.64 -0.86 0.00 0.00 -0.58 -2.65 119.26 117.42 2wpd h ALA 253 Ca 0.36 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2wpd h ALA 253 Cb 0.47 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2wpd h ALA 253 CO -0.13 0.40 0.56 0.77 0.00 0.00 0.00 179.25 180.85 2wpd h SER 254 N 0.67 0.86 -0.59 0.00 0.02 -1.00 0.19 113.55 113.72 2wpd h SER 254 Ca 0.14 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 2wpd h SER 254 Cb 0.45 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 2wpd h SER 254 CO 0.02 0.56 0.29 0.40 -1.14 0.00 0.00 176.83 176.96 2wpd h ILE 255 N 0.98 0.91 0.13 3.27 2.04 -1.09 -2.92 117.51 120.83 2wpd h ILE 255 Ca 0.36 -0.18 -0.28 0.00 1.00 0.00 0.00 64.86 65.76 2wpd h ILE 255 Cb 0.17 0.33 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2wpd h ILE 255 CO -0.13 0.10 -1.23 1.23 0.00 0.00 0.00 178.15 178.12 2wpd h GLY 256 N 0.53 0.46 0.44 5.37 0.00 -1.12 -3.12 103.07 105.63 2wpd h GLY 256 Ca 0.27 -1.06 0.18 0.00 0.00 0.00 0.00 47.33 46.72 2wpd h GLY 256 CO -0.20 0.93 0.61 0.83 0.00 0.00 0.00 176.54 178.70 2wpd h GLU 257 N 0.15 0.00 -0.03 4.80 5.08 -0.48 -2.13 114.58 121.97 2wpd h GLU 257 Ca -0.16 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2wpd h GLU 257 Cb 1.93 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 2wpd h GLU 257 CO 0.22 0.00 -0.08 2.35 -1.00 0.00 0.00 179.01 180.49 2wpd h TRP 258 N 0.00 -0.21 -0.61 4.33 7.01 -1.47 -1.42 115.95 123.59 2wpd h TRP 258 Ca 0.30 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.33 2wpd h TRP 258 Cb 1.51 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 28.63 2wpd h TRP 258 CO 0.00 -0.13 0.38 0.74 -2.79 0.00 0.00 178.44 176.64 2wpd h PHE 259 N -0.13 0.72 -0.91 2.65 0.04 -1.59 -2.26 116.94 115.46 2wpd h PHE 259 Ca 0.04 0.02 0.18 0.00 2.80 0.00 0.00 57.97 61.01 2wpd h PHE 259 Cb 0.19 -0.24 -0.07 0.00 2.20 0.00 0.00 35.95 38.03 2wpd h PHE 259 CO -0.17 0.42 0.59 -0.09 -0.60 0.00 0.00 178.31 178.46 2wpd h ARG 260 N 0.76 0.54 0.06 1.51 2.43 -1.26 0.18 114.38 118.59 2wpd h ARG 260 Ca 0.24 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 59.11 2wpd h ARG 260 Cb -0.02 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 2wpd h ARG 260 CO -0.08 0.35 -1.30 -0.44 -1.51 0.00 0.00 179.97 176.99 2wpd h ASP 261 N 0.55 0.19 -0.29 -3.80 3.32 -0.83 -3.29 116.42 112.28 2wpd h ASP 261 Ca 0.47 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2wpd h ASP 261 Cb 0.97 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 2wpd h ASP 261 CO -0.21 1.20 0.02 0.59 -1.72 0.00 0.00 179.24 179.12 2wpd n ASN 262 N -3.37 3.29 -1.06 6.45 3.02 -0.76 -4.74 115.26 118.09 2wpd n ASN 262 Ca -0.09 -2.47 -0.10 0.00 -0.03 0.00 0.00 54.58 51.89 2wpd n ASN 262 Cb 1.00 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 2wpd n ASN 262 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wpd n GLY 263 N 0.26 0.23 3.70 7.41 0.00 -1.04 -5.02 105.19 110.73 2wpd n GLY 263 Ca 0.15 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2wpd n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wpd s LYS 264 N -4.12 2.16 -0.09 1.61 1.02 0.54 -4.67 119.74 116.19 2wpd s LYS 264 Ca 0.00 -1.87 -0.02 0.00 0.02 0.00 0.00 55.97 54.10 2wpd s LYS 264 Cb 0.00 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 2wpd s LYS 264 CO 0.00 -0.06 -0.01 -1.01 -0.92 0.00 0.00 175.35 173.36 2wpd s HIS 265 N -2.60 3.14 0.13 3.18 3.76 -1.26 -2.79 115.29 118.85 2wpd s HIS 265 Ca 0.39 0.17 0.05 0.00 -0.15 0.00 0.00 55.06 55.51 2wpd s HIS 265 Cb 0.04 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.91 2wpd s HIS 265 CO 0.21 0.44 -0.12 0.00 -0.85 0.00 0.00 174.74 174.43 2wpd s ALA 266 N -0.84 1.44 -0.25 -1.40 0.00 -0.56 -2.47 121.76 117.68 2wpd s ALA 266 Ca 0.13 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 2wpd s ALA 266 Cb -0.11 -0.00 0.09 0.00 0.00 0.00 0.00 23.12 23.09 2wpd s ALA 266 CO 0.02 -0.02 0.11 -1.17 0.00 0.00 0.00 175.76 174.70 2wpd s LEU 267 N -2.83 0.80 -0.09 0.00 2.96 0.24 -1.52 118.68 118.24 2wpd s LEU 267 Ca 0.13 -1.13 -0.05 0.00 -0.22 0.00 0.00 54.13 52.85 2wpd s LEU 267 Cb -0.01 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 2wpd s LEU 267 CO 0.02 -0.40 0.12 -0.51 -1.32 0.00 0.00 176.35 174.26 2wpd s ILE 268 N 2.02 5.28 -0.16 6.68 2.07 -0.05 0.51 121.20 137.55 2wpd s ILE 268 Ca 0.06 0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.37 2wpd s ILE 268 Cb -0.16 -3.32 0.02 0.00 0.13 0.00 0.00 42.46 39.13 2wpd s ILE 268 CO -0.26 0.56 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.48 2wpd s VAL 269 N -1.06 1.80 -0.14 4.00 1.01 0.89 -1.52 120.40 125.39 2wpd s VAL 269 Ca 0.17 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 2wpd s VAL 269 Cb -0.12 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2wpd s VAL 269 CO 0.06 0.50 0.39 -0.31 0.00 0.00 0.00 175.10 175.74 2wpd s TYR 270 N 1.36 3.49 -0.33 5.22 2.02 -1.12 -1.02 117.35 126.97 2wpd s TYR 270 Ca 0.04 0.75 0.02 0.00 -0.37 0.00 0.00 57.07 57.51 2wpd s TYR 270 Cb -0.13 -2.45 0.15 0.00 -0.40 0.00 0.00 41.96 39.13 2wpd s TYR 270 CO -0.11 0.20 0.36 0.34 -1.57 0.00 0.00 175.55 174.77 2wpd s ASP 271 N 0.55 1.17 0.04 2.29 -1.08 -1.00 -1.11 116.67 117.53 2wpd s ASP 271 Ca 0.21 -1.05 -0.00 0.00 -0.52 0.00 0.00 52.55 51.19 2wpd s ASP 271 Cb -0.14 0.66 -0.03 0.00 -1.46 0.00 0.00 42.92 41.95 2wpd s ASP 271 CO 0.07 -0.32 -0.04 1.51 0.52 0.00 0.00 175.17 176.91 2wpd s ASP 272 N 1.98 0.49 0.47 -0.34 -4.77 -1.21 -0.83 116.67 112.46 2wpd s ASP 272 Ca 0.13 -0.76 0.31 0.00 -3.30 0.00 0.00 52.55 48.93 2wpd s ASP 272 Cb -0.14 0.13 1.27 0.00 -1.09 0.00 0.00 42.92 43.09 2wpd s ASP 272 CO -0.19 -0.43 1.91 -0.07 0.70 0.00 0.00 175.17 177.09 2wpd h LEU 273 N 3.85 0.00 -0.73 2.11 4.07 -1.68 -2.88 115.31 120.05 2wpd h LEU 273 Ca -0.34 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.58 2wpd h LEU 273 Cb 1.18 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.88 2wpd h LEU 273 CO 0.54 0.00 0.29 0.28 -1.08 0.00 0.00 178.44 178.46 2wpd h SER 274 N 0.00 1.01 -0.24 -0.43 0.02 -1.96 -1.95 113.55 110.00 2wpd h SER 274 Ca 0.00 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.65 2wpd h SER 274 Cb 0.47 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2wpd h SER 274 CO 0.00 0.91 -0.34 0.11 -1.14 0.00 0.00 176.83 176.37 2wpd h LYS 275 N 1.05 0.65 -0.86 3.45 1.79 -1.83 -3.07 116.57 117.74 2wpd h LYS 275 Ca 0.24 -0.38 0.13 0.00 -2.18 0.00 0.00 60.65 58.47 2wpd h LYS 275 Cb 0.22 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 30.81 2wpd h LYS 275 CO -0.02 0.99 0.47 0.37 -1.08 0.00 0.00 179.45 180.18 2wpd h GLN 276 N 0.36 0.68 -0.64 3.15 4.15 -1.39 0.47 115.11 121.89 2wpd h GLN 276 Ca 0.03 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 2wpd h GLN 276 Cb 0.92 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 2wpd h GLN 276 CO 0.08 0.45 0.09 0.00 -1.93 0.00 0.00 178.83 177.52 2wpd h ALA 277 N 1.54 0.94 -0.48 3.38 0.00 -1.38 0.18 119.26 123.44 2wpd h ALA 277 Ca 0.46 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2wpd h ALA 277 Cb 0.59 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2wpd h ALA 277 CO -0.33 0.65 0.29 0.28 0.00 0.00 0.00 179.25 180.15 2wpd h VAL 278 N 0.99 1.06 0.52 0.00 2.07 -1.01 0.45 116.25 120.34 2wpd h VAL 278 Ca 0.19 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2wpd h VAL 278 Cb 0.45 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2wpd h VAL 278 CO 0.01 0.11 -0.29 0.00 0.02 0.00 0.00 177.57 177.42 2wpd h ALA 279 N 1.21 -0.76 0.00 1.67 0.00 -0.48 -2.04 119.26 118.85 2wpd h ALA 279 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wpd h ALA 279 Cb -0.00 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wpd h ALA 279 CO -0.08 -0.93 -0.01 -0.92 0.00 0.00 0.00 179.25 177.31 2wpd h TYR 280 N -0.76 0.00 -0.23 0.00 3.20 -0.43 0.23 116.97 118.99 2wpd h TYR 280 Ca -0.07 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 2wpd h TYR 280 Cb 0.60 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2wpd h TYR 280 CO -0.07 0.01 -0.32 -0.09 -1.64 0.00 0.00 178.16 176.05 2wpd h ARG 281 N 0.00 0.48 -0.52 1.82 2.43 0.44 -3.09 114.38 115.94 2wpd h ARG 281 Ca -0.00 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 58.86 2wpd h ARG 281 Cb 0.03 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2wpd h ARG 281 CO 0.00 0.74 -0.10 0.37 -1.51 0.00 0.00 179.97 179.48 2wpd h GLN 282 N 0.41 0.98 -0.56 0.20 4.15 0.15 -2.22 115.11 118.21 2wpd h GLN 282 Ca 0.05 -0.36 -0.03 0.00 0.77 0.00 0.00 58.65 59.08 2wpd h GLN 282 Cb 0.76 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 2wpd h GLN 282 CO 0.06 1.03 0.23 -0.07 -1.93 0.00 0.00 178.83 178.16 2wpd h LEU 283 N 0.84 0.77 0.87 -2.39 4.07 -1.53 -2.33 115.31 115.60 2wpd h LEU 283 Ca 0.13 -0.16 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 2wpd h LEU 283 Cb 0.65 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2wpd h LEU 283 CO 0.05 0.72 -0.45 0.28 -1.08 0.00 0.00 178.44 177.96 2wpd h SER 284 N 0.77 -1.10 -0.89 -0.43 0.02 -1.44 0.11 113.55 110.60 2wpd h SER 284 Ca 0.19 0.05 0.17 0.00 -0.84 0.00 0.00 61.79 61.35 2wpd h SER 284 Cb 0.18 0.30 -0.10 0.00 0.14 0.00 0.00 62.40 62.92 2wpd h SER 284 CO -0.02 -0.74 0.47 -0.07 -1.14 0.00 0.00 176.83 175.33 2wpd h LEU 285 N -1.21 0.55 -0.46 5.07 3.38 -1.46 0.12 115.31 121.30 2wpd h LEU 285 Ca -0.12 0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2wpd h LEU 285 Cb 0.94 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2wpd h LEU 285 CO 0.17 0.20 -0.76 -0.07 0.09 0.00 0.00 178.44 178.07 2wpd h LEU 286 N 0.62 0.20 0.00 1.67 3.38 -1.25 -1.78 115.31 118.14 2wpd h LEU 286 Ca 0.50 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2wpd h LEU 286 Cb 0.77 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2wpd h LEU 286 CO -0.39 0.88 0.00 0.18 0.09 0.00 0.00 178.44 179.19 2wpd n LEU 287 N -3.73 0.00 -2.23 1.67 4.77 0.36 -4.86 117.00 112.99 2wpd n LEU 287 Ca -0.03 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 2wpd n LEU 287 Cb 0.72 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 2wpd n LEU 287 CO 0.46 0.00 -0.10 0.54 -1.33 0.00 0.00 177.39 176.96 2wpd n ARG 288 N -0.62 -2.77 -3.14 3.23 5.12 -0.67 -4.98 116.66 112.83 2wpd n ARG 288 Ca 0.05 0.78 -0.40 0.00 -1.93 0.00 0.00 57.85 56.35 2wpd n ARG 288 Cb 0.03 -5.25 -0.06 0.00 -1.16 0.00 0.00 32.46 26.01 2wpd n ARG 288 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2wpd s ARG 289 N -5.18 4.19 0.07 5.56 0.52 0.35 -5.00 118.95 119.45 2wpd s ARG 289 Ca 0.13 0.56 -0.37 0.00 -0.52 0.00 0.00 55.73 55.53 2wpd s ARG 289 Cb -0.06 -3.59 -0.18 0.00 0.52 0.00 0.00 34.95 31.65 2wpd s ARG 289 CO 0.16 -0.26 1.26 -2.30 0.02 0.00 0.00 175.30 174.19 2wpd n PRO 290 N 5.13 0.85 -2.25 3.54 -0.02 -1.26 -4.16 135.00 136.84 2wpd n PRO 290 Ca -0.02 0.31 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 2wpd n PRO 290 Cb 0.50 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 2wpd n PRO 290 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wpd s PRO 291 N 0.33 3.73 0.00 0.52 0.04 -1.26 -4.50 135.00 133.85 2wpd s PRO 291 Ca 0.86 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2wpd s PRO 291 Cb -1.03 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2wpd s PRO 291 CO 0.50 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.49 2wpd n GLY 292 N -1.51 0.40 3.35 0.56 0.00 0.22 -4.88 105.19 103.33 2wpd n GLY 292 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2wpd n GLY 292 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wpd s ARG 293 N 0.67 3.40 -1.35 1.61 3.52 -1.25 -4.45 118.95 121.10 2wpd s ARG 293 Ca 0.00 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 54.95 2wpd s ARG 293 Cb 0.00 -2.84 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 2wpd s ARG 293 CO 0.00 0.01 0.18 0.39 -0.81 0.00 0.00 175.30 175.07 2wpd n GLU 294 N 4.17 -2.28 -0.21 5.12 1.02 -1.26 -2.92 120.64 124.28 2wpd n GLU 294 Ca -0.18 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 2wpd n GLU 294 Cb 0.52 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.72 2wpd n GLU 294 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wpd n ALA 295 N -2.32 0.00 -1.77 0.62 0.00 -1.26 -4.99 120.51 110.78 2wpd n ALA 295 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 2wpd n ALA 295 Cb 0.63 -0.05 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 2wpd n ALA 295 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2wpd s TYR 296 N -3.05 2.92 0.66 0.00 1.51 -1.15 -4.47 117.35 113.78 2wpd s TYR 296 Ca 0.00 1.53 -0.17 0.00 -1.01 0.00 0.00 57.07 57.42 2wpd s TYR 296 Cb 0.00 -3.41 -0.00 0.00 -0.11 0.00 0.00 41.96 38.44 2wpd s TYR 296 CO 0.00 -1.50 1.26 -2.14 -1.11 0.00 0.00 175.55 172.05 2wpd s PRO 297 N -2.55 2.51 0.19 -1.71 0.02 -1.26 0.69 135.00 132.88 2wpd s PRO 297 Ca 0.61 1.95 -0.14 0.00 0.02 0.00 0.00 61.00 63.44 2wpd s PRO 297 Cb -0.30 -1.86 0.20 0.00 0.02 0.00 0.00 34.50 32.57 2wpd s PRO 297 CO 0.37 -1.60 1.66 0.78 -0.33 0.00 0.00 177.00 177.88 2wpd h GLY 298 N 0.38 0.47 -2.14 0.52 0.00 -1.90 -1.86 103.07 98.55 2wpd h GLY 298 Ca -0.50 0.12 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 2wpd h GLY 298 CO 0.52 -0.18 0.09 2.09 0.00 0.00 0.00 176.54 179.06 2wpd n ASP 299 N -5.32 2.82 0.13 0.19 5.75 -1.26 -4.32 116.55 114.54 2wpd n ASP 299 Ca 0.06 -2.25 0.05 0.00 -0.01 0.00 0.00 54.79 52.63 2wpd n ASP 299 Cb 0.29 -0.55 0.49 0.00 -1.03 0.00 0.00 41.12 40.31 2wpd n ASP 299 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2wpd h VAL 300 N 0.30 1.09 0.05 2.12 3.04 -1.69 -0.17 116.25 121.00 2wpd h VAL 300 Ca 0.09 -0.33 -0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2wpd h VAL 300 Cb 1.19 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2wpd h VAL 300 CO 0.17 0.12 -0.02 0.15 -1.01 0.00 0.00 177.57 176.97 2wpd h PHE 301 N 0.25 -0.06 0.00 3.17 3.04 -1.85 -2.14 116.94 119.35 2wpd h PHE 301 Ca 0.06 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.01 2wpd h PHE 301 Cb 0.11 0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.64 2wpd h PHE 301 CO 0.00 -0.03 0.03 0.98 -2.02 0.00 0.00 178.31 177.27 2wpd n TYR 302 N -5.12 0.04 0.03 0.41 9.36 -0.11 -1.26 117.16 120.51 2wpd n TYR 302 Ca -0.08 0.02 -0.20 0.00 3.32 0.00 0.00 57.90 60.97 2wpd n TYR 302 Cb 0.06 -0.50 -0.10 0.00 -0.63 0.00 0.00 39.34 38.17 2wpd n TYR 302 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2wpd h LEU 303 N 0.00 0.90 0.00 2.98 5.85 -1.02 -3.22 115.31 120.81 2wpd h LEU 303 Ca 0.00 -0.73 -0.01 0.00 0.84 0.00 0.00 57.88 57.98 2wpd h LEU 303 Cb 0.06 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 2wpd h LEU 303 CO 0.00 1.51 -1.72 1.41 -0.34 0.00 0.00 178.44 179.30 2wpd n HIS 304 N -3.88 0.29 -0.04 1.25 8.25 -0.39 -4.19 115.22 116.51 2wpd n HIS 304 Ca -0.11 0.09 -0.14 0.00 -0.26 0.00 0.00 57.72 57.30 2wpd n HIS 304 Cb 0.86 -0.66 -0.09 0.00 1.12 0.00 0.00 29.99 31.22 2wpd n HIS 304 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2wpd h SER 305 N 0.00 0.27 0.00 0.41 4.64 -1.37 -1.95 113.55 115.54 2wpd h SER 305 Ca -0.02 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2wpd h SER 305 Cb 1.05 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2wpd h SER 305 CO 0.00 0.78 0.00 -2.11 -0.87 0.00 0.00 176.83 174.63 2wpd n ARG 306 N -4.60 0.98 -0.08 4.77 1.85 -1.21 -2.37 116.66 116.00 2wpd n ARG 306 Ca -0.08 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.62 2wpd n ARG 306 Cb 0.38 -1.07 -0.05 0.00 -1.05 0.00 0.00 32.46 30.67 2wpd n ARG 306 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2wpd n LEU 307 N -0.57 1.54 0.01 2.89 7.94 -1.13 -4.55 117.00 123.13 2wpd n LEU 307 Ca 0.03 0.26 -0.06 0.00 -1.11 0.00 0.00 56.01 55.13 2wpd n LEU 307 Cb 0.02 -0.61 0.12 0.00 0.53 0.00 0.00 43.42 43.48 2wpd n LEU 307 CO 0.02 0.10 0.59 -0.07 -1.11 0.00 0.00 177.39 176.92 2wpd h LEU 308 N -0.73 0.53 -1.93 -1.96 3.38 -1.38 -2.75 115.31 110.47 2wpd h LEU 308 Ca -0.31 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2wpd h LEU 308 Cb 1.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2wpd h LEU 308 CO -0.19 0.89 0.00 -0.33 0.09 0.00 0.00 178.44 178.90 2wpd h GLU 309 N 0.41 0.00 0.00 1.13 4.39 -1.71 -2.06 114.58 116.73 2wpd h GLU 309 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2wpd h GLU 309 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2wpd h GLU 309 CO 0.08 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.47 2wpd n ARG 310 N -2.73 0.18 -3.82 2.33 1.74 -1.04 -4.45 116.66 108.87 2wpd n ARG 310 Ca -0.01 0.39 -0.36 0.00 -0.77 0.00 0.00 57.85 57.10 2wpd n ARG 310 Cb 0.13 -1.83 -0.12 0.00 -1.02 0.00 0.00 32.46 29.62 2wpd n ARG 310 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wpd s ALA 311 N -3.27 3.18 0.08 7.54 0.00 -0.78 -4.72 121.76 123.78 2wpd s ALA 311 Ca 0.05 -1.07 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 2wpd s ALA 311 Cb 0.09 -2.04 0.09 0.00 0.00 0.00 0.00 23.12 21.27 2wpd s ALA 311 CO 0.39 -0.38 1.12 0.00 0.00 0.00 0.00 175.76 176.89 2wpd s ALA 312 N 1.42 -1.93 -0.10 0.00 0.00 -1.14 -4.77 121.76 115.24 2wpd s ALA 312 Ca 0.05 0.32 -0.25 0.00 0.00 0.00 0.00 51.96 52.09 2wpd s ALA 312 Cb -0.15 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2wpd s ALA 312 CO 0.03 -1.06 0.77 0.21 0.00 0.00 0.00 175.76 175.71 2wpd s LYS 313 N -2.77 4.39 0.42 0.00 2.47 -1.25 -3.26 119.74 119.74 2wpd s LYS 313 Ca 0.15 0.96 -0.05 0.00 -1.56 0.00 0.00 55.97 55.47 2wpd s LYS 313 Cb 0.01 -3.50 -0.04 0.00 -1.46 0.00 0.00 37.83 32.85 2wpd s LYS 313 CO -0.00 -0.09 0.71 -0.51 0.16 0.00 0.00 175.35 175.62 2wpd s LEU 314 N 1.30 3.78 0.83 5.43 1.43 -0.21 -1.75 118.68 129.48 2wpd s LEU 314 Ca 0.39 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 54.22 2wpd s LEU 314 Cb -0.18 -3.75 0.09 0.00 0.03 0.00 0.00 46.19 42.39 2wpd s LEU 314 CO 0.17 -0.45 1.13 -0.55 0.23 0.00 0.00 176.35 176.88 2wpd s SER 315 N -3.84 3.77 0.47 2.29 0.15 -0.91 -4.10 113.70 111.54 2wpd s SER 315 Ca 0.46 2.05 0.14 0.00 0.70 0.00 0.00 55.95 59.30 2wpd s SER 315 Cb -0.10 -2.55 1.12 0.00 -1.71 0.00 0.00 66.02 62.78 2wpd s SER 315 CO 0.39 -2.53 2.07 -0.08 1.20 0.00 0.00 173.24 174.29 2wpd h GLU 316 N -1.35 0.23 -0.08 5.44 4.81 -1.94 -0.95 114.58 120.74 2wpd h GLU 316 Ca -0.44 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.71 2wpd h GLU 316 Cb 1.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2wpd h GLU 316 CO 0.47 0.15 -0.26 -0.22 -0.73 0.00 0.00 179.01 178.42 2wpd h LYS 317 N 0.24 0.15 0.04 1.92 3.64 -1.99 -3.18 116.57 117.39 2wpd h LYS 317 Ca 0.13 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 2wpd h LYS 317 Cb 0.20 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2wpd h LYS 317 CO -0.02 0.40 -1.20 0.93 -2.27 0.00 0.00 179.45 177.29 2wpd h GLU 318 N 0.14 0.09 0.00 1.90 4.39 -1.54 -3.47 114.58 116.08 2wpd h GLU 318 Ca 0.02 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2wpd h GLU 318 Cb 0.54 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2wpd h GLU 318 CO 0.04 1.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.30 2wpd n GLY 319 N 1.45 -0.30 2.38 -3.84 0.00 -0.98 -4.72 105.19 99.18 2wpd n GLY 319 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2wpd n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wpd n SER 320 N 0.00 -4.65 -4.88 1.61 7.64 -0.86 -4.28 113.62 108.20 2wpd n SER 320 Ca 0.00 0.27 -0.30 0.00 1.01 0.00 0.00 58.87 59.85 2wpd n SER 320 Cb 0.00 -3.52 0.05 0.00 -1.01 0.00 0.00 64.21 59.73 2wpd n SER 320 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2wpd s GLY 321 N -2.73 1.63 0.04 0.23 0.00 -1.24 -4.80 107.32 100.45 2wpd s GLY 321 Ca 0.00 -0.34 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 2wpd s GLY 321 CO 0.00 0.04 0.70 -0.45 0.00 0.00 0.00 173.10 173.39 2wpd s SER 322 N -4.32 -0.56 -0.07 1.64 0.15 -1.12 -1.05 113.70 108.37 2wpd s SER 322 Ca 0.59 0.28 -0.03 0.00 0.70 0.00 0.00 55.95 57.49 2wpd s SER 322 Cb -0.11 0.53 0.04 0.00 -1.71 0.00 0.00 66.02 64.76 2wpd s SER 322 CO 0.52 -0.75 0.09 -0.22 1.20 0.00 0.00 173.24 174.08 2wpd s LEU 323 N -2.04 0.11 0.01 3.45 2.96 -1.20 -1.49 118.68 120.47 2wpd s LEU 323 Ca -0.03 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2wpd s LEU 323 Cb -0.01 -0.05 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 2wpd s LEU 323 CO -0.03 -0.27 0.17 -0.89 -1.32 0.00 0.00 176.35 174.01 2wpd s THR 324 N 2.20 5.28 -0.04 3.68 2.01 -0.58 -2.87 115.64 125.31 2wpd s THR 324 Ca 0.04 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2wpd s THR 324 Cb -0.13 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.91 2wpd s THR 324 CO -0.05 0.29 -0.09 0.00 -0.69 0.00 0.00 174.62 174.08 2wpd s ALA 325 N -1.33 0.95 -0.62 7.40 0.00 -0.50 -0.87 121.76 126.78 2wpd s ALA 325 Ca 0.28 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 51.99 2wpd s ALA 325 Cb -0.13 -0.42 0.22 0.00 0.00 0.00 0.00 23.12 22.80 2wpd s ALA 325 CO 0.19 0.11 0.61 1.28 0.00 0.00 0.00 175.76 177.95 2wpd n LEU 326 N 3.60 2.90 -4.71 0.00 4.77 -0.57 -1.11 117.00 121.87 2wpd n LEU 326 Ca -0.21 -5.23 -0.42 0.00 -0.03 0.00 0.00 56.01 50.13 2wpd n LEU 326 Cb 0.53 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2wpd n LEU 326 CO 0.25 1.94 0.92 -0.81 -1.33 0.00 0.00 177.39 178.36 2wpd n PRO 327 N 1.41 2.10 -5.05 3.23 -0.04 -1.26 -2.81 135.00 132.58 2wpd n PRO 327 Ca 0.26 0.74 -0.29 0.00 -0.04 0.00 0.00 63.50 64.16 2wpd n PRO 327 Cb 0.41 -2.39 -0.17 0.00 -0.04 0.00 0.00 33.50 31.31 2wpd n PRO 327 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wpd s VAL 328 N -1.15 1.77 0.12 0.52 1.01 -0.26 -1.37 120.40 121.04 2wpd s VAL 328 Ca 0.58 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2wpd s VAL 328 Cb -0.53 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2wpd s VAL 328 CO 0.60 0.50 -0.21 -0.63 0.00 0.00 0.00 175.10 175.36 2wpd s ILE 329 N 0.20 1.80 -0.34 2.22 1.01 -1.19 -2.11 121.20 122.79 2wpd s ILE 329 Ca -0.11 -1.63 0.02 0.00 0.00 0.00 0.00 60.65 58.93 2wpd s ILE 329 Cb -0.15 -1.66 0.09 0.00 0.01 0.00 0.00 42.46 40.75 2wpd s ILE 329 CO 0.05 -0.08 0.05 -0.70 0.00 0.00 0.00 174.94 174.26 2wpd s GLU 330 N -2.06 1.79 0.60 2.79 2.12 -1.26 -3.12 118.70 119.56 2wpd s GLU 330 Ca 0.09 -1.73 -0.09 0.00 0.36 0.00 0.00 54.97 53.60 2wpd s GLU 330 Cb -0.09 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 2wpd s GLU 330 CO 0.05 -0.88 0.96 0.95 -0.54 0.00 0.00 175.26 175.80 2wpd s THR 331 N 1.01 4.35 -0.20 -1.70 -4.23 -0.91 -4.99 115.64 108.97 2wpd s THR 331 Ca 0.06 0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 2wpd s THR 331 Cb -0.20 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 69.90 2wpd s THR 331 CO -0.06 -0.86 -0.06 -1.10 -0.54 0.00 0.00 174.62 171.99 2wpd s GLN 332 N -5.07 3.39 -1.88 3.99 -1.52 -1.26 -4.34 119.66 112.96 2wpd s GLN 332 Ca 0.53 -0.63 0.00 0.00 -1.95 0.00 0.00 55.36 53.31 2wpd s GLN 332 Cb -0.11 -2.91 0.00 0.00 -0.22 0.00 0.00 33.01 29.77 2wpd s GLN 332 CO 0.50 -0.08 0.00 0.41 -0.25 0.00 0.00 175.29 175.87 2wpd n GLY 333 N 4.43 1.29 2.11 3.09 0.00 -1.26 -1.62 105.19 113.24 2wpd n GLY 333 Ca -0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 2wpd n GLY 333 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpd n GLY 334 N -0.77 0.53 3.49 -0.02 0.00 -1.26 -4.98 105.19 102.17 2wpd n GLY 334 Ca -0.19 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 2wpd n GLY 334 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wpd s ASP 335 N -2.51 6.36 0.00 1.61 2.15 -0.64 -4.83 116.67 118.81 2wpd s ASP 335 Ca 0.00 -1.29 0.30 0.00 0.43 0.00 0.00 52.55 51.99 2wpd s ASP 335 Cb 0.00 -2.46 1.39 0.00 -0.30 0.00 0.00 42.92 41.55 2wpd s ASP 335 CO 0.00 -1.41 1.97 1.33 -0.17 0.00 0.00 175.17 176.89 2wpd n VAL 336 N 6.06 0.00 1.75 1.11 0.24 -1.26 -3.44 118.33 122.79 2wpd n VAL 336 Ca 0.12 -0.02 0.05 0.00 -2.04 0.00 0.00 64.34 62.44 2wpd n VAL 336 Cb 0.48 -0.33 0.22 0.00 -1.47 0.00 0.00 33.84 32.73 2wpd n VAL 336 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2wpd n SER 337 N -1.17 0.46 -3.94 -1.34 7.64 -1.26 -4.13 113.62 109.88 2wpd n SER 337 Ca 0.14 -1.81 -0.30 0.00 1.01 0.00 0.00 58.87 57.92 2wpd n SER 337 Cb 0.26 -0.05 0.25 0.00 -1.01 0.00 0.00 64.21 63.66 2wpd n SER 337 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wpd s ALA 338 N -1.90 0.07 -0.05 -0.43 0.00 -1.22 -4.87 121.76 113.35 2wpd s ALA 338 Ca 0.15 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 2wpd s ALA 338 Cb 0.07 -2.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.13 2wpd s ALA 338 CO 0.11 -3.83 0.52 -0.92 0.00 0.00 0.00 175.76 171.64 2wpd h TYR 339 N -2.74 -0.41 -0.28 0.00 3.20 -1.93 -3.15 116.97 111.66 2wpd h TYR 339 Ca -0.49 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.36 2wpd h TYR 339 Cb 1.32 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 2wpd h TYR 339 CO -1.72 -0.25 0.11 0.82 -1.64 0.00 0.00 178.16 175.48 2wpd h ILE 340 N -1.12 1.18 -0.32 1.81 1.08 -1.97 -3.05 117.51 115.12 2wpd h ILE 340 Ca -0.05 -0.54 0.02 0.00 -0.39 0.00 0.00 64.86 63.90 2wpd h ILE 340 Cb 0.35 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 2wpd h ILE 340 CO 0.07 0.18 0.15 -0.65 -0.69 0.00 0.00 178.15 177.22 2wpd h PRO 341 N 0.29 0.31 -0.91 2.37 0.11 -1.88 -1.47 132.00 130.83 2wpd h PRO 341 Ca 0.09 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.27 2wpd h PRO 341 Cb 0.19 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.16 2wpd h PRO 341 CO -0.01 0.21 0.59 1.15 -0.21 0.00 0.00 178.00 179.73 2wpd h THR 342 N 0.32 1.00 -0.26 -1.15 2.02 -1.61 0.21 112.91 113.45 2wpd h THR 342 Ca 0.13 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 67.03 2wpd h THR 342 Cb 0.05 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 2wpd h THR 342 CO -0.10 0.18 0.18 0.78 0.37 0.00 0.00 175.52 176.93 2wpd h ASN 343 N 0.96 0.13 0.09 4.18 2.35 -1.16 -2.87 115.58 119.26 2wpd h ASN 343 Ca 0.41 -0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.80 2wpd h ASN 343 Cb 0.33 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 2wpd h ASN 343 CO -0.17 0.09 -2.27 0.52 -1.65 0.00 0.00 177.43 173.94 2wpd n VAL 344 N -4.49 1.51 0.08 2.81 0.31 -0.48 -3.99 118.33 114.08 2wpd n VAL 344 Ca 0.02 -0.72 0.18 0.00 -0.01 0.00 0.00 64.34 63.81 2wpd n VAL 344 Cb 0.23 -1.05 0.70 0.00 -0.91 0.00 0.00 33.84 32.81 2wpd n VAL 344 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wpd h ILE 345 N 0.01 0.73 0.00 2.52 2.04 -0.94 -0.54 117.51 121.33 2wpd h ILE 345 Ca -0.51 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2wpd h ILE 345 Cb 2.06 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2wpd h ILE 345 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 178.15 178.43 2wpd h SER 346 N 0.00 0.00 0.00 1.72 0.02 -1.64 -3.33 113.55 110.32 2wpd h SER 346 Ca 0.18 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.76 2wpd h SER 346 Cb 0.77 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.24 2wpd h SER 346 CO -0.00 0.00 -2.42 -0.38 -1.14 0.00 0.00 176.83 172.89 2wpd n ILE 347 N -3.08 1.43 -2.35 3.27 5.41 -0.30 -4.99 119.36 118.75 2wpd n ILE 347 Ca 0.03 -0.57 -0.36 0.00 1.00 0.00 0.00 62.75 62.85 2wpd n ILE 347 Cb 0.43 -1.33 -0.02 0.00 -0.71 0.00 0.00 39.64 38.02 2wpd n ILE 347 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2wpd s THR 348 N -2.50 3.32 -0.03 1.39 -4.23 -0.66 -4.91 115.64 108.02 2wpd s THR 348 Ca -0.32 0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 61.08 2wpd s THR 348 Cb 0.08 -3.46 -0.23 0.00 1.34 0.00 0.00 72.50 70.24 2wpd s THR 348 CO 0.59 -0.06 3.44 0.47 -0.54 0.00 0.00 174.62 178.53 2wpd n ASP 349 N -0.59 5.32 0.00 3.99 8.00 0.35 -4.86 116.55 128.76 2wpd n ASP 349 Ca 0.08 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 53.06 2wpd n ASP 349 Cb 0.49 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 2wpd n ASP 349 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wpd n GLY 350 N 2.32 1.47 3.25 0.44 0.00 -1.26 -2.11 105.19 109.29 2wpd n GLY 350 Ca 0.40 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 2wpd n GLY 350 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wpd s GLN 351 N -1.59 0.56 -0.96 1.61 -2.07 -1.03 -1.53 119.66 114.65 2wpd s GLN 351 Ca 0.00 0.13 -0.08 0.00 -1.82 0.00 0.00 55.36 53.59 2wpd s GLN 351 Cb 0.00 0.26 0.24 0.00 -1.09 0.00 0.00 33.01 32.42 2wpd s GLN 351 CO 0.00 -0.13 0.91 0.42 -1.32 0.00 0.00 175.29 175.17 2wpd s ILE 352 N -0.63 5.39 0.26 3.63 1.01 0.21 -2.47 121.20 128.60 2wpd s ILE 352 Ca -0.07 -3.26 -0.31 0.00 0.00 0.00 0.00 60.65 57.01 2wpd s ILE 352 Cb -0.04 -4.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.02 2wpd s ILE 352 CO 0.03 -1.11 1.64 0.12 0.00 0.00 0.00 174.94 175.62 2wpd s PHE 353 N -0.86 2.82 -0.13 3.97 2.19 -1.26 -3.72 117.98 120.99 2wpd s PHE 353 Ca 0.26 0.62 0.01 0.00 0.33 0.00 0.00 56.93 58.15 2wpd s PHE 353 Cb -0.10 -4.09 0.02 0.00 -1.31 0.00 0.00 43.02 37.54 2wpd s PHE 353 CO -0.09 -3.84 -0.14 -0.51 1.83 0.00 0.00 175.22 172.47 2wpd s LEU 354 N 0.16 1.68 -0.13 6.12 1.43 -0.82 -1.88 118.68 125.24 2wpd s LEU 354 Ca 0.68 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2wpd s LEU 354 Cb -0.48 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2wpd s LEU 354 CO 0.42 -0.03 0.05 -1.61 0.23 0.00 0.00 176.35 175.41 2wpd s GLU 355 N 1.32 3.44 0.18 1.70 2.02 -0.87 -4.06 118.70 122.44 2wpd s GLU 355 Ca 0.01 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.55 2wpd s GLU 355 Cb -0.14 -3.03 0.09 0.00 0.10 0.00 0.00 34.13 31.16 2wpd s GLU 355 CO -0.07 0.56 1.80 0.00 0.02 0.00 0.00 175.26 177.57 2wpd h ALA 356 N 5.67 0.79 -0.60 5.21 0.00 -1.92 -3.05 119.26 125.37 2wpd h ALA 356 Ca -0.47 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.38 2wpd h ALA 356 Cb 1.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2wpd h ALA 356 CO 0.61 0.30 0.40 1.49 0.00 0.00 0.00 179.25 182.04 2wpd h GLU 357 N 0.84 0.70 0.00 0.00 4.81 -1.98 -1.32 114.58 117.64 2wpd h GLU 357 Ca 0.22 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 2wpd h GLU 357 Cb 0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2wpd h GLU 357 CO -0.04 0.46 -0.56 -0.07 -0.73 0.00 0.00 179.01 178.07 2wpd h LEU 358 N 0.72 0.00 -0.31 1.64 3.38 -1.87 -3.03 115.31 115.84 2wpd h LEU 358 Ca 0.24 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2wpd h LEU 358 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2wpd h LEU 358 CO -0.06 0.56 0.17 0.15 0.09 0.00 0.00 178.44 179.35 2wpd h PHE 359 N 0.00 0.31 -0.40 1.13 3.04 -1.18 -0.37 116.94 119.47 2wpd h PHE 359 Ca -0.01 0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.80 2wpd h PHE 359 Cb 1.10 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.50 2wpd h PHE 359 CO 0.00 0.18 -0.35 1.88 -2.02 0.00 0.00 178.31 178.00 2wpd h TYR 360 N 0.35 1.13 0.00 0.41 0.05 -1.53 -2.47 116.97 114.90 2wpd h TYR 360 Ca 0.13 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.58 2wpd h TYR 360 Cb 0.02 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.52 2wpd h TYR 360 CO -0.09 1.15 0.16 0.87 -1.05 0.00 0.00 178.16 179.21 2wpd h LYS 361 N 0.78 0.00 0.00 4.88 1.57 -1.38 -3.44 116.57 118.98 2wpd h LYS 361 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wpd h LYS 361 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2wpd h LYS 361 CO 0.09 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.38 2wpd n GLY 362 N -1.18 0.75 3.55 3.86 0.00 -0.93 -5.05 105.19 106.18 2wpd n GLY 362 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2wpd n GLY 362 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wpd s ILE 363 N -2.00 3.74 -0.08 -0.61 1.01 -0.18 -4.97 121.20 118.11 2wpd s ILE 363 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 60.65 61.09 2wpd s ILE 363 Cb 0.00 -4.89 0.03 0.00 0.01 0.00 0.00 42.46 37.61 2wpd s ILE 363 CO 0.00 -1.80 -0.03 -0.13 0.00 0.00 0.00 174.94 172.98 2wpd s ARG 364 N 5.69 0.94 0.36 2.79 0.52 -1.26 -1.75 118.95 126.24 2wpd s ARG 364 Ca 0.36 -0.04 -0.26 0.00 -0.52 0.00 0.00 55.73 55.27 2wpd s ARG 364 Cb -0.08 -1.17 -0.09 0.00 0.52 0.00 0.00 34.95 34.13 2wpd s ARG 364 CO 0.16 -0.27 1.15 -1.25 0.02 0.00 0.00 175.30 175.12 2wpd s PRO 365 N 1.78 4.24 -1.21 3.54 0.04 -1.26 -1.70 135.00 140.43 2wpd s PRO 365 Ca 0.03 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 62.74 2wpd s PRO 365 Cb -0.13 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 2wpd s PRO 365 CO -0.06 -0.15 2.16 0.00 0.04 0.00 0.00 177.00 178.99 2wpd n ALA 366 N 0.41 4.85 -2.57 8.56 0.00 -0.72 -4.91 120.51 126.14 2wpd n ALA 366 Ca 0.03 -3.60 -0.42 0.00 0.00 0.00 0.00 53.44 49.44 2wpd n ALA 366 Cb 0.46 -3.55 -0.05 0.00 0.00 0.00 0.00 19.45 16.31 2wpd n ALA 366 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wpd s ILE 367 N 3.78 4.70 -0.66 0.00 1.01 -1.26 -2.05 121.20 126.72 2wpd s ILE 367 Ca 0.51 0.69 -0.27 0.00 0.00 0.00 0.00 60.65 61.58 2wpd s ILE 367 Cb 0.14 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.38 2wpd s ILE 367 CO -0.01 -0.54 1.34 0.21 0.00 0.00 0.00 174.94 175.93 2wpd s ASN 368 N 1.96 6.14 0.33 3.58 2.47 -0.79 -4.86 114.94 123.76 2wpd s ASN 368 Ca 0.30 -0.11 0.01 0.00 0.42 0.00 0.00 52.86 53.49 2wpd s ASN 368 Cb -0.13 -2.55 0.55 0.00 -1.45 0.00 0.00 41.25 37.67 2wpd s ASN 368 CO 0.19 -1.78 1.96 0.58 -3.72 0.00 0.00 177.10 174.33 2wpd h VAL 369 N 6.20 1.19 -0.96 -5.21 2.07 -1.89 0.55 116.25 118.20 2wpd h VAL 369 Ca -0.27 -0.44 0.26 0.00 0.82 0.00 0.00 66.70 67.06 2wpd h VAL 369 Cb 1.07 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2wpd h VAL 369 CO 1.23 0.20 0.66 1.23 0.02 0.00 0.00 177.57 180.92 2wpd h GLY 370 N 0.92 0.51 0.00 2.17 0.00 -1.96 -2.97 103.07 101.74 2wpd h GLY 370 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2wpd h GLY 370 CO -0.04 -0.03 -0.82 1.04 0.00 0.00 0.00 176.54 176.69 2wpd n LEU 371 N -4.40 0.06 -4.70 3.11 4.77 -0.77 -4.98 117.00 110.09 2wpd n LEU 371 Ca 0.21 -0.18 -0.40 0.00 -0.03 0.00 0.00 56.01 55.62 2wpd n LEU 371 Cb 0.90 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.94 2wpd n LEU 371 CO 0.34 0.02 0.38 -0.44 -1.33 0.00 0.00 177.39 176.36 2wpd s SER 372 N -2.06 6.88 0.13 -1.43 0.01 0.11 -4.72 113.70 112.62 2wpd s SER 372 Ca -0.00 1.07 -0.02 0.00 1.31 0.00 0.00 55.95 58.30 2wpd s SER 372 Cb 0.03 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2wpd s SER 372 CO 0.16 -0.16 0.07 0.68 0.41 0.00 0.00 173.24 174.41 2wpd s VAL 373 N 1.12 0.10 -0.08 3.43 -7.23 -1.03 -4.78 120.40 111.93 2wpd s VAL 373 Ca 0.34 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 2wpd s VAL 373 Cb -0.17 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.79 2wpd s VAL 373 CO 0.15 -0.47 -0.09 -0.55 -0.31 0.00 0.00 175.10 173.83 2wpd s SER 374 N -3.03 1.83 0.28 4.85 0.15 -1.26 -2.46 113.70 114.05 2wpd s SER 374 Ca 0.23 -0.27 0.12 0.00 0.70 0.00 0.00 55.95 56.73 2wpd s SER 374 Cb 0.07 -0.77 0.34 0.00 -1.71 0.00 0.00 66.02 63.95 2wpd s SER 374 CO 0.01 -0.05 1.59 0.03 1.20 0.00 0.00 173.24 176.01 2wpd h ARG 375 N 7.57 0.00 -0.11 5.44 3.08 -1.80 -2.92 114.38 125.65 2wpd h ARG 375 Ca -0.31 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.55 2wpd h ARG 375 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 2wpd h ARG 375 CO 0.44 0.61 -0.72 0.28 -1.07 0.00 0.00 179.97 179.50 2wpd h VAL 376 N 0.00 1.35 0.00 2.04 2.07 -1.91 -3.48 116.25 116.31 2wpd h VAL 376 Ca -0.01 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.45 2wpd h VAL 376 Cb 1.16 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2wpd h VAL 376 CO 0.08 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.91 2wpd n GLY 377 N 0.56 0.95 0.31 2.17 0.00 -1.10 -3.35 105.19 104.72 2wpd n GLY 377 Ca -0.05 -0.76 0.19 0.00 0.00 0.00 0.00 46.02 45.40 2wpd n GLY 377 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wpd h SER 378 N 8.96 0.00 -0.96 1.61 4.64 -1.93 -2.09 113.55 123.79 2wpd h SER 378 Ca 0.00 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.52 2wpd h SER 378 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 2wpd h SER 378 CO 0.00 0.02 0.61 0.00 -0.87 0.00 0.00 176.83 176.60 2wpd h ALA 379 N 1.98 1.94 0.06 5.18 0.00 -1.89 -2.45 119.26 124.08 2wpd h ALA 379 Ca -0.00 0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 2wpd h ALA 379 Cb 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2wpd h ALA 379 CO 0.00 -0.27 -1.76 0.00 0.00 0.00 0.00 179.25 177.22 2wpd h ALA 380 N 1.62 0.57 -2.46 0.00 0.00 -1.58 -3.41 119.26 114.00 2wpd h ALA 380 Ca 0.53 -1.37 -0.54 0.00 0.00 0.00 0.00 54.91 53.52 2wpd h ALA 380 Cb 1.04 0.52 0.19 0.00 0.00 0.00 0.00 17.79 19.54 2wpd h ALA 380 CO -0.27 1.42 -0.04 0.94 0.00 0.00 0.00 179.25 181.29 2wpd n GLN 381 N -3.27 0.08 -2.25 0.00 7.27 -0.92 -3.17 117.38 115.12 2wpd n GLN 381 Ca -0.22 0.09 -0.39 0.00 0.07 0.00 0.00 57.00 56.56 2wpd n GLN 381 Cb 1.05 -2.16 -0.02 0.00 2.41 0.00 0.00 30.24 31.52 2wpd n GLN 381 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2wpd s VAL 382 N -2.16 3.04 0.14 1.69 1.01 -1.26 -4.85 120.40 118.01 2wpd s VAL 382 Ca 0.68 0.91 -0.16 0.00 0.00 0.00 0.00 61.98 63.41 2wpd s VAL 382 Cb -0.29 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2wpd s VAL 382 CO 0.56 0.11 1.69 0.11 0.00 0.00 0.00 175.10 177.58 2wpd h LYS 383 N 2.78 0.61 0.40 2.72 1.79 -1.92 -0.82 116.57 122.14 2wpd h LYS 383 Ca -0.49 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 57.87 2wpd h LYS 383 Cb 1.23 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 2wpd h LYS 383 CO 0.63 0.56 -0.41 0.00 -1.08 0.00 0.00 179.45 179.15 2wpd h ALA 384 N 1.02 -0.89 0.00 3.86 0.00 -0.98 -1.69 119.26 120.58 2wpd h ALA 384 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wpd h ALA 384 Cb 0.17 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wpd h ALA 384 CO -0.01 -1.04 0.00 1.25 0.00 0.00 0.00 179.25 179.45 2wpd h LEU 385 N -0.83 0.00 -0.75 0.00 5.85 -1.81 -1.94 115.31 115.83 2wpd h LEU 385 Ca -0.03 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 2wpd h LEU 385 Cb 0.74 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2wpd h LEU 385 CO -0.07 0.00 -0.40 0.50 -0.34 0.00 0.00 178.44 178.14 2wpd h LYS 386 N 0.00 0.49 0.21 1.25 3.64 -0.18 -2.99 116.57 118.98 2wpd h LYS 386 Ca 0.00 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2wpd h LYS 386 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2wpd h LYS 386 CO 0.00 0.80 -0.10 1.96 -2.27 0.00 0.00 179.45 179.84 2wpd h GLN 387 N 0.40 -0.27 -0.07 1.90 4.20 -1.16 -3.29 115.11 116.82 2wpd h GLN 387 Ca 0.04 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.79 2wpd h GLN 387 Cb 0.87 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 2wpd h GLN 387 CO 0.07 0.12 0.05 -0.39 -0.67 0.00 0.00 178.83 178.02 2wpd h VAL 388 N -0.82 0.92 -3.48 -0.54 -1.51 -1.62 -3.33 116.25 105.86 2wpd h VAL 388 Ca -0.03 0.00 -0.63 0.00 -1.23 0.00 0.00 66.70 64.81 2wpd h VAL 388 Cb 0.52 0.96 -0.40 0.00 -2.13 0.00 0.00 31.29 30.24 2wpd h VAL 388 CO 0.05 0.00 -0.74 0.00 -1.23 0.00 0.00 177.57 175.65 2wpd s ALA 389 N -5.03 2.33 -0.09 5.19 0.00 -1.13 -4.76 121.76 118.27 2wpd s ALA 389 Ca -0.05 -2.15 -0.11 0.00 0.00 0.00 0.00 51.96 49.66 2wpd s ALA 389 Cb 0.17 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2wpd s ALA 389 CO 0.67 -1.65 -0.21 0.41 0.00 0.00 0.00 175.76 174.97 2wpd n GLY 390 N 4.50 -0.43 1.65 0.00 0.00 -1.25 -4.66 105.19 105.00 2wpd n GLY 390 Ca 0.01 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.90 2wpd n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wpd n SER 391 N -3.81 5.27 -0.13 1.61 3.41 -1.26 -4.62 113.62 114.08 2wpd n SER 391 Ca -0.08 -2.91 -0.04 0.00 -0.26 0.00 0.00 58.87 55.57 2wpd n SER 391 Cb 0.31 -0.65 0.04 0.00 -0.26 0.00 0.00 64.21 63.66 2wpd n SER 391 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2wpd h LEU 392 N 3.52 -0.00 -1.01 1.04 5.85 -1.94 0.76 115.31 123.53 2wpd h LEU 392 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2wpd h LEU 392 Cb 1.82 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.91 2wpd h LEU 392 CO 0.41 0.03 0.50 0.50 -0.34 0.00 0.00 178.44 179.55 2wpd h LYS 393 N 0.21 1.19 -0.20 1.25 3.64 -1.92 -0.29 116.57 120.44 2wpd h LYS 393 Ca 0.21 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2wpd h LYS 393 Cb 0.26 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2wpd h LYS 393 CO -0.27 0.85 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.43 2wpd h LEU 394 N 1.20 0.37 -0.25 5.20 3.38 -1.36 -2.44 115.31 121.40 2wpd h LEU 394 Ca 0.31 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.98 2wpd h LEU 394 Cb -0.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2wpd h LEU 394 CO -0.05 0.62 -0.54 0.15 0.09 0.00 0.00 178.44 178.71 2wpd h PHE 395 N 0.33 1.04 0.00 1.13 3.57 0.14 -2.27 116.94 120.87 2wpd h PHE 395 Ca 0.05 -0.38 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 2wpd h PHE 395 Cb 0.62 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 2wpd h PHE 395 CO 0.02 1.20 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.13 2wpd h LEU 396 N 0.58 0.00 -0.19 0.59 4.07 -0.97 0.07 115.31 119.46 2wpd h LEU 396 Ca 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.76 2wpd h LEU 396 Cb 1.15 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.90 2wpd h LEU 396 CO 0.12 0.09 -0.67 0.00 -1.08 0.00 0.00 178.44 176.90 2wpd h ALA 397 N 1.91 0.34 -0.36 1.53 0.00 -1.09 -2.91 119.26 118.68 2wpd h ALA 397 Ca -0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 2wpd h ALA 397 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2wpd h ALA 397 CO 0.01 0.64 -0.15 1.96 0.00 0.00 0.00 179.25 181.71 2wpd h GLN 398 N 0.53 0.64 -0.13 0.00 4.20 -0.70 -2.41 115.11 117.24 2wpd h GLN 398 Ca -0.03 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.48 2wpd h GLN 398 Cb 1.30 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 2wpd h GLN 398 CO 0.14 0.76 0.02 -0.92 -0.67 0.00 0.00 178.83 178.17 2wpd h TYR 399 N 0.58 0.04 0.00 2.96 3.20 -0.98 0.18 116.97 122.95 2wpd h TYR 399 Ca 0.10 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 2wpd h TYR 399 Cb 0.59 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2wpd h TYR 399 CO 0.02 0.01 -0.20 0.00 -1.64 0.00 0.00 178.16 176.36 2wpd h ARG 400 N 0.08 0.00 -0.32 1.82 3.08 -1.44 0.74 114.38 118.33 2wpd h ARG 400 Ca 0.06 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 2wpd h ARG 400 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2wpd h ARG 400 CO -0.08 0.20 -0.38 1.49 -1.07 0.00 0.00 179.97 180.13 2wpd h GLU 401 N 0.00 0.83 0.07 0.04 4.81 -0.73 -2.56 114.58 117.04 2wpd h GLU 401 Ca -0.00 -0.46 -0.24 0.00 -0.13 0.00 0.00 59.36 58.52 2wpd h GLU 401 Cb 0.45 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2wpd h GLU 401 CO 0.03 1.10 -1.13 0.28 -0.73 0.00 0.00 179.01 178.55 2wpd h VAL 402 N 0.61 1.60 -0.27 0.32 2.07 0.02 -3.15 116.25 117.45 2wpd h VAL 402 Ca 0.04 -3.24 -0.08 0.00 0.82 0.00 0.00 66.70 64.24 2wpd h VAL 402 Cb 0.97 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.63 2wpd h VAL 402 CO 0.09 0.94 -0.19 0.00 0.02 0.00 0.00 177.57 178.43 2wpd h ALA 403 N 0.78 1.17 0.01 1.67 0.00 0.46 -1.64 119.26 121.71 2wpd h ALA 403 Ca -0.08 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 2wpd h ALA 403 Cb 1.88 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 2wpd h ALA 403 CO 0.17 0.53 -0.89 0.00 0.00 0.00 0.00 179.25 179.05 2wpd h ALA 404 N 1.36 0.52 0.00 0.00 0.00 -1.54 -3.30 119.26 116.30 2wpd h ALA 404 Ca 0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 2wpd h ALA 404 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2wpd h ALA 404 CO 0.04 1.01 -0.54 0.35 0.00 0.00 0.00 179.25 180.11 2wpd h PHE 405 N 0.04 0.00 -0.00 0.00 3.57 -1.44 -3.04 116.94 116.07 2wpd h PHE 405 Ca -0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2wpd h PHE 405 Cb 1.55 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.29 2wpd h PHE 405 CO 0.01 0.39 -0.01 0.00 -2.23 0.00 0.00 178.31 176.47 2wpd n ALA 406 N -2.22 2.66 0.15 2.41 0.00 -0.64 -3.33 120.51 119.53 2wpd n ALA 406 Ca 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.22 2wpd n ALA 406 Cb 0.70 -1.43 0.37 0.00 0.00 0.00 0.00 19.45 19.09 2wpd n ALA 406 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wpd h GLN 407 N 0.53 0.13 -0.90 0.00 1.08 -1.61 -3.09 115.11 111.25 2wpd h GLN 407 Ca 0.00 -0.04 0.26 0.00 -1.45 0.00 0.00 58.65 57.42 2wpd h GLN 407 Cb 0.16 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 2wpd h GLN 407 CO 0.00 0.38 0.64 0.35 -0.95 0.00 0.00 178.83 179.26 2wpd h PHE 408 N 0.12 0.03 0.00 2.96 3.57 -1.77 -3.45 116.94 118.41 2wpd h PHE 408 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2wpd h PHE 408 Cb 0.52 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2wpd h PHE 408 CO 0.00 0.01 0.00 0.41 -2.23 0.00 0.00 178.31 176.50 2wpd n GLY 409 N -1.70 0.86 3.86 2.40 0.00 -1.17 -5.07 105.19 104.37 2wpd n GLY 409 Ca 0.19 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 2wpd n GLY 409 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wpd s SER 410 N -2.58 6.05 0.71 1.61 0.15 -1.26 -5.09 113.70 113.29 2wpd s SER 410 Ca 0.00 0.18 -0.16 0.00 0.70 0.00 0.00 55.95 56.66 2wpd s SER 410 Cb 0.00 -1.79 0.02 0.00 -1.71 0.00 0.00 66.02 62.54 2wpd s SER 410 CO 0.00 0.18 1.16 -0.90 1.20 0.00 0.00 173.24 174.89 2wpd n ASP 411 N 0.44 1.29 -4.37 5.45 5.68 -1.26 -4.96 116.55 118.82 2wpd n ASP 411 Ca -0.07 0.72 -0.31 0.00 -0.50 0.00 0.00 54.79 54.62 2wpd n ASP 411 Cb 0.51 -1.49 -0.15 0.00 -1.14 0.00 0.00 41.12 38.85 2wpd n ASP 411 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2wpd s LEU 412 N -4.23 2.29 0.00 -2.12 1.43 -1.26 -5.13 118.68 109.66 2wpd s LEU 412 Ca 0.77 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2wpd s LEU 412 Cb -0.35 -1.41 0.05 0.00 0.03 0.00 0.00 46.19 44.51 2wpd s LEU 412 CO 0.46 0.32 0.20 -0.90 0.23 0.00 0.00 176.35 176.66 2wpd n ASP 413 N 2.31 -0.91 -0.18 2.29 5.75 -1.26 -4.78 116.55 119.77 2wpd n ASP 413 Ca -0.16 -0.73 -0.09 0.00 -0.01 0.00 0.00 54.79 53.80 2wpd n ASP 413 Cb 0.51 -0.18 0.03 0.00 -1.03 0.00 0.00 41.12 40.46 2wpd n ASP 413 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wpd h ALA 414 N -2.09 0.81 0.47 2.12 0.00 -2.00 -2.70 119.26 115.87 2wpd h ALA 414 Ca -0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2wpd h ALA 414 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wpd h ALA 414 CO 0.05 0.66 -0.22 0.77 0.00 0.00 0.00 179.25 180.51 2wpd h SER 415 N 0.90 -0.53 0.56 0.00 0.02 -1.99 -0.17 113.55 112.35 2wpd h SER 415 Ca 0.15 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2wpd h SER 415 Cb 0.64 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 2wpd h SER 415 CO 0.04 -0.15 -0.06 0.71 -1.14 0.00 0.00 176.83 176.23 2wpd h THR 416 N -0.98 0.25 0.03 -2.27 1.35 -1.94 -2.38 112.91 106.97 2wpd h THR 416 Ca -0.06 -0.47 -0.31 0.00 -0.55 0.00 0.00 66.41 65.02 2wpd h THR 416 Cb 0.58 1.37 -0.04 0.00 -1.73 0.00 0.00 68.15 68.33 2wpd h THR 416 CO 0.11 0.06 -1.79 1.17 -0.25 0.00 0.00 175.52 174.81 2wpd n LYS 417 N -3.30 0.66 0.21 4.72 4.81 -1.02 -2.90 118.16 121.34 2wpd n LYS 417 Ca -0.01 0.28 -0.15 0.00 -0.87 0.00 0.00 58.31 57.56 2wpd n LYS 417 Cb 0.24 -1.77 -0.08 0.00 0.02 0.00 0.00 35.03 33.44 2wpd n LYS 417 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 2wpd h GLN 418 N 0.02 -0.46 -0.24 1.64 5.75 -0.58 0.25 115.11 121.49 2wpd h GLN 418 Ca -0.32 0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.15 2wpd h GLN 418 Cb 2.02 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 30.66 2wpd h GLN 418 CO 0.08 -0.25 -0.10 1.79 -2.65 0.00 0.00 178.83 177.70 2wpd h THR 419 N -0.57 1.20 -0.40 2.39 1.35 -1.63 -2.02 112.91 113.22 2wpd h THR 419 Ca -0.05 -0.85 -0.08 0.00 -0.55 0.00 0.00 66.41 64.89 2wpd h THR 419 Cb 0.42 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 2wpd h THR 419 CO 0.08 0.27 -0.08 0.25 -0.25 0.00 0.00 175.52 175.80 2wpd h LEU 420 N 0.36 0.67 -0.17 3.87 5.85 -1.35 0.32 115.31 124.86 2wpd h LEU 420 Ca 0.07 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2wpd h LEU 420 Cb 0.39 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2wpd h LEU 420 CO 0.02 0.80 -0.06 0.58 -0.34 0.00 0.00 178.44 179.43 2wpd h VAL 421 N 0.64 1.30 -0.09 1.05 2.07 0.05 -2.67 116.25 118.61 2wpd h VAL 421 Ca 0.12 -1.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 2wpd h VAL 421 Cb 0.52 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2wpd h VAL 421 CO 0.03 0.32 -0.38 -0.09 0.02 0.00 0.00 177.57 177.46 2wpd h ARG 422 N 0.03 0.41 -0.14 1.57 2.43 -1.28 -3.10 114.38 114.30 2wpd h ARG 422 Ca 0.04 -0.33 0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2wpd h ARG 422 Cb 0.52 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2wpd h ARG 422 CO 0.02 0.96 0.11 0.78 -1.51 0.00 0.00 179.97 180.33 2wpd h GLY 423 N -0.04 0.00 2.00 2.80 0.00 -0.45 0.27 103.07 107.65 2wpd h GLY 423 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 2wpd h GLY 423 CO 0.08 0.00 -0.62 -2.09 0.00 0.00 0.00 176.54 173.91 2wpd h GLU 424 N 0.00 0.00 0.04 4.80 4.81 -1.43 -3.07 114.58 119.73 2wpd h GLU 424 Ca 0.07 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.99 2wpd h GLU 424 Cb 0.28 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2wpd h GLU 424 CO -0.00 0.62 -1.72 0.00 -0.73 0.00 0.00 179.01 177.18 2wpd h ARG 425 N 0.00 0.08 -0.82 1.92 3.08 -1.13 -3.20 114.38 114.31 2wpd h ARG 425 Ca -0.01 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2wpd h ARG 425 Cb 1.37 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.43 2wpd h ARG 425 CO 0.08 0.72 0.48 -0.07 -1.07 0.00 0.00 179.97 180.11 2wpd h LEU 426 N 0.02 0.98 -1.56 3.04 3.38 -1.06 0.12 115.31 120.23 2wpd h LEU 426 Ca -0.30 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 2wpd h LEU 426 Cb 2.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 2wpd h LEU 426 CO 0.09 0.76 -0.23 0.74 0.09 0.00 0.00 178.44 179.89 2wpd h THR 427 N 1.13 0.98 0.00 0.22 2.02 -1.62 -2.21 112.91 113.43 2wpd h THR 427 Ca 0.29 -0.86 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 2wpd h THR 427 Cb -0.03 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2wpd h THR 427 CO -0.05 0.23 -0.80 -0.61 0.37 0.00 0.00 175.52 174.65 2wpd h GLN 428 N 0.00 0.00 0.00 6.66 5.75 -1.19 -3.27 115.11 123.06 2wpd h GLN 428 Ca -0.00 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.34 2wpd h GLN 428 Cb 0.47 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 2wpd h GLN 428 CO 0.03 0.41 -0.76 1.25 -2.65 0.00 0.00 178.83 177.11 2wpd h LEU 429 N 0.00 0.00 -1.12 -2.39 5.85 -0.35 -3.20 115.31 114.10 2wpd h LEU 429 Ca -0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2wpd h LEU 429 Cb 1.43 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 2wpd h LEU 429 CO 0.06 0.76 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.76 2wpd h LEU 430 N 0.00 0.00 -9.31 2.25 3.38 -1.46 -3.44 115.31 106.73 2wpd h LEU 430 Ca -0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 2wpd h LEU 430 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2wpd h LEU 430 CO 0.10 0.08 1.09 -0.54 0.09 0.00 0.00 178.44 179.26 2wpd s LYS 431 N -3.58 4.18 -0.00 1.13 1.02 -1.21 -4.24 119.74 117.03 2wpd s LYS 431 Ca 0.02 2.28 0.02 0.00 0.02 0.00 0.00 55.97 58.31 2wpd s LYS 431 Cb 0.09 -3.95 -0.01 0.00 -0.52 0.00 0.00 37.83 33.44 2wpd s LYS 431 CO 0.59 -0.84 -0.06 -1.14 -0.92 0.00 0.00 175.35 172.98 2wpd s GLN 432 N 3.85 0.51 0.47 1.68 0.74 -0.69 -4.99 119.66 121.23 2wpd s GLN 432 Ca 0.76 -0.25 -0.21 0.00 0.05 0.00 0.00 55.36 55.70 2wpd s GLN 432 Cb -0.36 -0.49 -0.08 0.00 1.10 0.00 0.00 33.01 33.18 2wpd s GLN 432 CO 0.32 0.13 1.07 -0.80 -0.55 0.00 0.00 175.29 175.46 2wpd s ASN 433 N -0.22 6.35 0.81 6.67 0.01 -1.26 -4.13 114.94 123.17 2wpd s ASN 433 Ca 0.02 2.04 -0.12 0.00 -0.71 0.00 0.00 52.86 54.09 2wpd s ASN 433 Cb -0.03 -2.57 0.08 0.00 0.41 0.00 0.00 41.25 39.14 2wpd s ASN 433 CO -0.00 -0.78 1.14 -1.58 -1.51 0.00 0.00 177.10 174.37 2wpd s GLN 434 N -2.98 1.81 -1.98 -0.60 0.74 -1.26 -3.07 119.66 112.33 2wpd s GLN 434 Ca 0.65 1.45 0.00 0.00 0.05 0.00 0.00 55.36 57.51 2wpd s GLN 434 Cb -0.20 -1.83 0.00 0.00 1.10 0.00 0.00 33.01 32.08 2wpd s GLN 434 CO 0.25 -2.02 0.00 0.66 -0.55 0.00 0.00 175.29 173.63 2wpd n TYR 435 N -3.53 -0.33 -3.20 1.67 4.01 -1.26 -4.89 117.16 109.62 2wpd n TYR 435 Ca 0.11 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.62 2wpd n TYR 435 Cb 0.52 -3.52 -0.06 0.00 -0.31 0.00 0.00 39.34 35.97 2wpd n TYR 435 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2wpd n SER 436 N -1.43 1.28 -4.75 7.72 7.64 -1.17 -5.11 113.62 117.81 2wpd n SER 436 Ca -0.21 -2.99 -0.41 0.00 1.01 0.00 0.00 58.87 56.27 2wpd n SER 436 Cb 0.66 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 63.21 2wpd n SER 436 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wpd s PRO 437 N -1.95 4.28 -0.15 1.43 0.04 -1.26 -4.81 135.00 132.58 2wpd s PRO 437 Ca 0.38 2.28 -0.03 0.00 0.04 0.00 0.00 61.00 63.68 2wpd s PRO 437 Cb 0.23 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 2wpd s PRO 437 CO -0.09 -0.38 -0.06 -0.51 0.04 0.00 0.00 177.00 176.00 2wpd s LEU 438 N -0.62 3.10 1.30 -3.56 1.43 -0.92 -5.02 118.68 114.40 2wpd s LEU 438 Ca 0.57 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.30 2wpd s LEU 438 Cb -0.41 -1.74 0.32 0.00 0.03 0.00 0.00 46.19 44.39 2wpd s LEU 438 CO 0.45 0.16 0.85 0.00 0.23 0.00 0.00 176.35 178.04 2wpd n ALA 439 N 3.58 -3.92 -0.02 4.21 0.00 -1.26 -4.45 120.51 118.66 2wpd n ALA 439 Ca -0.18 -1.53 -0.10 0.00 0.00 0.00 0.00 53.44 51.64 2wpd n ALA 439 Cb 0.52 -1.74 0.05 0.00 0.00 0.00 0.00 19.45 18.28 2wpd n ALA 439 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wpd h THR 440 N -3.08 1.31 0.00 0.00 2.02 -1.99 -2.94 112.91 108.23 2wpd h THR 440 Ca -0.52 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 64.94 2wpd h THR 440 Cb 1.31 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2wpd h THR 440 CO 0.38 0.54 0.00 -1.84 0.37 0.00 0.00 175.52 174.97 2wpd n GLU 441 N -3.99 0.04 -0.00 6.66 0.28 -1.26 -2.23 120.64 120.14 2wpd n GLU 441 Ca -0.03 0.28 0.05 0.00 -0.16 0.00 0.00 57.16 57.30 2wpd n GLU 441 Cb 0.58 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.88 2wpd n GLU 441 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2wpd n GLU 442 N -1.45 1.99 0.02 3.44 1.02 -1.14 -4.49 120.64 120.03 2wpd n GLU 442 Ca 0.03 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.91 2wpd n GLU 442 Cb 0.12 -1.10 -0.14 0.00 -0.02 0.00 0.00 31.44 30.30 2wpd n GLU 442 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2wpd h GLN 443 N 0.00 0.28 0.02 3.49 4.20 -1.28 -3.35 115.11 118.48 2wpd h GLN 443 Ca 0.00 -0.48 0.02 0.00 0.06 0.00 0.00 58.65 58.25 2wpd h GLN 443 Cb 0.34 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2wpd h GLN 443 CO 0.00 1.23 -0.17 0.28 -0.67 0.00 0.00 178.83 179.50 2wpd h VAL 444 N -0.15 0.59 -0.47 -0.54 2.07 -1.70 -1.86 116.25 114.18 2wpd h VAL 444 Ca -0.34 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.24 2wpd h VAL 444 Cb 1.89 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 2wpd h VAL 444 CO 0.09 0.00 0.17 -0.65 0.02 0.00 0.00 177.57 177.20 2wpd h PRO 445 N -0.29 0.34 0.23 1.57 0.11 -1.79 0.37 132.00 132.53 2wpd h PRO 445 Ca 0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2wpd h PRO 445 Cb 0.35 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2wpd h PRO 445 CO -0.15 0.22 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.68 2wpd h LEU 446 N 0.35 -0.26 -1.46 2.35 3.38 -1.63 -2.15 115.31 115.89 2wpd h LEU 446 Ca 0.22 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.16 2wpd h LEU 446 Cb 0.23 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2wpd h LEU 446 CO -0.23 -0.12 0.38 0.40 0.09 0.00 0.00 178.44 178.97 2wpd h ILE 447 N -0.39 1.11 0.20 1.22 1.08 -1.19 -2.48 117.51 117.06 2wpd h ILE 447 Ca -0.03 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2wpd h ILE 447 Cb 0.29 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 2wpd h ILE 447 CO 0.05 0.13 -0.20 0.22 -0.69 0.00 0.00 178.15 177.67 2wpd h TYR 448 N 0.72 -0.52 0.00 1.37 3.20 -0.49 -1.01 116.97 120.25 2wpd h TYR 448 Ca 0.22 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2wpd h TYR 448 Cb 0.00 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2wpd h TYR 448 CO -0.00 -0.30 0.00 0.00 -1.64 0.00 0.00 178.16 176.22 2wpd n ALA 449 N -2.44 1.42 -0.09 1.82 0.00 -0.85 -2.83 120.51 117.54 2wpd n ALA 449 Ca -0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 2wpd n ALA 449 Cb 0.24 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 2wpd n ALA 449 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wpd n GLY 450 N -0.55 -0.83 0.26 0.00 0.00 -0.61 -2.49 105.19 100.98 2wpd n GLY 450 Ca 0.02 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.01 2wpd n GLY 450 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2wpd h VAL 451 N -1.00 0.93 0.15 1.61 -1.51 -1.23 -3.08 116.25 112.12 2wpd h VAL 451 Ca -0.14 -0.03 -0.01 0.00 -1.23 0.00 0.00 66.70 65.29 2wpd h VAL 451 Cb 0.86 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 2wpd h VAL 451 CO -0.09 0.01 -0.07 0.78 -1.23 0.00 0.00 177.57 176.97 2wpd h ASN 452 N 0.00 -0.17 0.00 4.19 2.35 -1.73 -3.49 115.58 116.73 2wpd h ASN 452 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2wpd h ASN 452 Cb 0.02 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2wpd h ASN 452 CO 0.00 0.37 0.00 0.61 -1.65 0.00 0.00 177.43 176.76 2wpd n GLY 453 N 1.12 0.44 0.02 2.83 0.00 -1.17 -5.03 105.19 103.40 2wpd n GLY 453 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 2wpd n GLY 453 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wpd n HIS 454 N 0.00 0.00 0.64 1.61 8.25 -1.04 -3.55 115.22 121.13 2wpd n HIS 454 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 2wpd n HIS 454 Cb 0.00 -0.30 -0.08 0.00 1.12 0.00 0.00 29.99 30.74 2wpd n HIS 454 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2wpd n LEU 455 N -1.42 0.63 -0.35 2.41 4.77 -1.23 -4.27 117.00 117.55 2wpd n LEU 455 Ca 0.07 -0.23 0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2wpd n LEU 455 Cb 0.33 -0.04 0.25 0.00 -2.33 0.00 0.00 43.42 41.64 2wpd n LEU 455 CO 0.32 0.13 1.21 0.44 -1.33 0.00 0.00 177.39 178.16 2wpd h ASP 456 N 0.00 0.85 -0.30 -1.43 3.32 -1.89 -0.73 116.42 116.23 2wpd h ASP 456 Ca 0.00 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 2wpd h ASP 456 Cb 0.68 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.05 2wpd h ASP 456 CO 0.00 0.42 0.18 0.61 -1.72 0.00 0.00 179.24 178.73 2wpd n GLY 457 N -1.34 2.68 3.12 2.75 0.00 -1.26 -4.82 105.19 106.32 2wpd n GLY 457 Ca 0.20 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 2wpd n GLY 457 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wpd s ILE 458 N -1.17 1.00 0.63 -0.61 1.01 -0.28 -5.14 121.20 116.64 2wpd s ILE 458 Ca 0.19 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 2wpd s ILE 458 Cb 0.15 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 2wpd s ILE 458 CO 0.04 -0.01 1.13 -0.70 0.00 0.00 0.00 174.94 175.40 2wpd s GLU 459 N -1.06 2.88 0.15 2.79 2.12 -1.26 -4.95 118.70 119.37 2wpd s GLU 459 Ca 0.01 1.53 -0.14 0.00 0.36 0.00 0.00 54.97 56.72 2wpd s GLU 459 Cb -0.07 -1.95 0.04 0.00 0.26 0.00 0.00 34.13 32.40 2wpd s GLU 459 CO 0.01 -1.21 1.72 1.25 -0.54 0.00 0.00 175.26 176.49 2wpd h LEU 460 N 0.36 0.66 0.00 2.70 5.85 -1.97 -2.20 115.31 120.72 2wpd h LEU 460 Ca -0.48 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2wpd h LEU 460 Cb 1.26 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2wpd h LEU 460 CO 0.54 0.63 0.00 -1.54 -0.34 0.00 0.00 178.44 177.73 2wpd n SER 461 N -4.59 0.00 -0.08 1.25 3.41 -1.26 -2.36 113.62 109.99 2wpd n SER 461 Ca 0.02 -0.89 -0.08 0.00 -0.26 0.00 0.00 58.87 57.66 2wpd n SER 461 Cb 0.13 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.93 2wpd n SER 461 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wpd n ARG 462 N -0.82 0.68 -0.19 4.33 5.12 -0.83 -4.30 116.66 120.64 2wpd n ARG 462 Ca 0.10 0.03 0.24 0.00 -1.93 0.00 0.00 57.85 56.29 2wpd n ARG 462 Cb 0.05 -1.57 0.64 0.00 -1.16 0.00 0.00 32.46 30.41 2wpd n ARG 462 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2wpd h ILE 463 N 0.00 0.62 0.00 0.55 1.08 -1.43 -1.31 117.51 117.01 2wpd h ILE 463 Ca -0.45 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 2wpd h ILE 463 Cb 2.09 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.28 2wpd h ILE 463 CO 0.03 0.03 0.00 0.61 -0.69 0.00 0.00 178.15 178.13 2wpd n GLY 464 N -1.63 -2.73 0.28 5.37 0.00 -1.26 -2.75 105.19 102.47 2wpd n GLY 464 Ca 0.18 0.19 0.17 0.00 0.00 0.00 0.00 46.02 46.57 2wpd n GLY 464 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2wpd h GLU 465 N 0.00 0.00 -0.59 1.61 4.11 -1.76 -3.02 114.58 114.93 2wpd h GLU 465 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 2wpd h GLU 465 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2wpd h GLU 465 CO 0.00 0.03 0.35 0.35 0.07 0.00 0.00 179.01 179.81 2wpd h PHE 466 N 0.00 0.65 0.19 2.06 3.04 -1.07 -0.91 116.94 120.90 2wpd h PHE 466 Ca -0.00 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.98 2wpd h PHE 466 Cb 0.42 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 2wpd h PHE 466 CO 0.00 0.36 -0.30 1.49 -2.02 0.00 0.00 178.31 177.84 2wpd h GLU 467 N 0.68 -0.54 -0.72 1.11 4.81 -1.38 0.15 114.58 118.70 2wpd h GLU 467 Ca 0.24 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 2wpd h GLU 467 Cb 0.06 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2wpd h GLU 467 CO -0.12 -0.36 0.34 0.66 -0.73 0.00 0.00 179.01 178.80 2wpd h SER 468 N -0.56 0.94 -0.37 1.04 4.64 -1.64 -2.11 113.55 115.49 2wpd h SER 468 Ca 0.01 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2wpd h SER 468 Cb 0.56 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2wpd h SER 468 CO -0.13 0.82 0.06 0.28 -0.87 0.00 0.00 176.83 176.99 2wpd h SER 469 N 1.00 0.58 -0.74 4.97 0.02 -0.92 -2.06 113.55 116.41 2wpd h SER 469 Ca 0.24 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2wpd h SER 469 Cb 0.13 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2wpd h SER 469 CO -0.03 0.69 0.34 0.15 -1.14 0.00 0.00 176.83 176.85 2wpd h PHE 470 N 0.45 1.08 -0.03 3.45 3.57 -0.49 -1.31 116.94 123.65 2wpd h PHE 470 Ca 0.11 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2wpd h PHE 470 Cb 0.36 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2wpd h PHE 470 CO 0.02 0.80 0.02 -0.07 -2.23 0.00 0.00 178.31 176.85 2wpd h LEU 471 N 1.05 0.04 -2.20 0.59 3.38 -1.26 -1.94 115.31 114.95 2wpd h LEU 471 Ca 0.25 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2wpd h LEU 471 Cb 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2wpd h LEU 471 CO -0.03 0.12 0.04 0.28 0.09 0.00 0.00 178.44 178.93 2wpd h SER 472 N -0.04 0.00 -0.11 -0.43 0.02 -1.11 -1.14 113.55 110.73 2wpd h SER 472 Ca 0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2wpd h SER 472 Cb 0.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2wpd h SER 472 CO -0.00 0.00 -0.03 0.22 -1.14 0.00 0.00 176.83 175.88 2wpd h TYR 473 N 0.00 0.25 -0.37 3.45 3.20 -0.50 -2.97 116.97 120.04 2wpd h TYR 473 Ca 0.02 -0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.70 2wpd h TYR 473 Cb 0.09 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2wpd h TYR 473 CO 0.00 0.53 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.69 2wpd h LEU 474 N -0.10 0.90 -1.88 2.82 3.38 -0.82 -0.99 115.31 118.62 2wpd h LEU 474 Ca 0.03 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2wpd h LEU 474 Cb 0.45 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wpd h LEU 474 CO 0.01 1.16 0.00 0.11 0.09 0.00 0.00 178.44 179.81 2wpd h LYS 475 N 0.66 0.00 0.00 1.13 1.57 -1.28 -0.87 116.57 117.77 2wpd h LYS 475 Ca 0.07 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.40 2wpd h LYS 475 Cb 0.88 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 2wpd h LYS 475 CO 0.08 0.00 -2.53 0.43 -0.57 0.00 0.00 179.45 176.86 2wpd n SER 476 N -2.68 1.96 0.00 0.86 7.64 -1.10 -4.76 113.62 115.54 2wpd n SER 476 Ca -0.01 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2wpd n SER 476 Cb 0.12 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2wpd n SER 476 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2wpd n ASN 477 N -4.01 0.00 -3.55 6.43 3.02 -0.39 -4.76 115.26 112.00 2wpd n ASN 477 Ca -0.53 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 2wpd n ASN 477 Cb 0.91 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 40.03 2wpd n ASN 477 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2wpd n HIS 478 N -1.54 3.05 0.06 3.10 8.25 -1.09 -4.47 115.22 122.58 2wpd n HIS 478 Ca 0.00 -3.03 0.05 0.00 -0.26 0.00 0.00 57.72 54.48 2wpd n HIS 478 Cb 0.00 -2.53 -0.05 0.00 1.12 0.00 0.00 29.99 28.53 2wpd n HIS 478 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wpd n ASN 479 N 4.99 0.80 -0.28 0.41 5.15 -0.35 -4.05 115.26 121.92 2wpd n ASN 479 Ca 0.64 0.33 -0.03 0.00 -0.60 0.00 0.00 54.58 54.91 2wpd n ASN 479 Cb 0.32 0.39 0.08 0.00 -0.53 0.00 0.00 39.78 40.04 2wpd n ASN 479 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2wpd h GLU 480 N 0.00 0.97 -0.13 1.20 4.39 -1.86 -2.50 114.58 116.65 2wpd h GLU 480 Ca -0.09 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 2wpd h GLU 480 Cb 1.32 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2wpd h GLU 480 CO 0.02 0.64 0.08 1.25 -1.16 0.00 0.00 179.01 179.84 2wpd h LEU 481 N 1.00 0.16 -1.53 1.33 5.85 -1.95 -1.79 115.31 118.39 2wpd h LEU 481 Ca 0.30 -0.06 0.17 0.00 0.84 0.00 0.00 57.88 59.13 2wpd h LEU 481 Cb -0.05 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 2wpd h LEU 481 CO -0.09 0.17 0.55 -0.07 -0.34 0.00 0.00 178.44 178.66 2wpd h LEU 482 N 0.14 0.42 -0.74 2.25 3.38 -1.65 -0.20 115.31 118.90 2wpd h LEU 482 Ca 0.05 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2wpd h LEU 482 Cb 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2wpd h LEU 482 CO -0.01 0.20 -0.55 0.74 0.09 0.00 0.00 178.44 178.91 2wpd h THR 483 N 0.44 1.23 0.05 0.22 2.02 -0.91 -2.13 112.91 113.83 2wpd h THR 483 Ca 0.41 -1.99 -0.08 0.00 0.77 0.00 0.00 66.41 65.52 2wpd h THR 483 Cb 0.95 2.12 0.01 0.00 -1.74 0.00 0.00 68.15 69.50 2wpd h THR 483 CO -0.15 0.54 -0.36 -0.33 0.37 0.00 0.00 175.52 175.59 2wpd h GLU 484 N 0.00 0.15 -0.88 6.66 4.39 -0.51 -2.87 114.58 121.52 2wpd h GLU 484 Ca -0.01 -0.23 0.10 0.00 0.34 0.00 0.00 59.36 59.56 2wpd h GLU 484 Cb 1.08 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.74 2wpd h GLU 484 CO 0.07 1.08 0.53 0.82 -1.16 0.00 0.00 179.01 180.34 2wpd h ILE 485 N -0.66 0.94 0.35 3.13 2.04 -1.24 0.63 117.51 122.71 2wpd h ILE 485 Ca -0.06 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 2wpd h ILE 485 Cb 1.24 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2wpd h ILE 485 CO 0.07 0.16 -0.17 -0.09 0.00 0.00 0.00 178.15 178.12 2wpd h ARG 486 N 0.88 -0.46 0.40 2.37 2.43 -1.44 0.83 114.38 119.39 2wpd h ARG 486 Ca 0.42 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.60 2wpd h ARG 486 Cb 0.36 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2wpd h ARG 486 CO -0.24 -0.26 -0.19 0.93 -1.51 0.00 0.00 179.97 178.70 2wpd h GLU 487 N -0.55 -0.52 -0.15 0.20 5.08 -1.32 -3.34 114.58 113.99 2wpd h GLU 487 Ca -0.05 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2wpd h GLU 487 Cb 0.41 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2wpd h GLU 487 CO 0.08 -0.32 -0.02 0.87 -1.00 0.00 0.00 179.01 178.62 2wpd h LYS 488 N -1.12 0.02 0.00 2.33 1.79 -1.00 -3.46 116.57 115.12 2wpd h LYS 488 Ca -0.05 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2wpd h LYS 488 Cb 0.44 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2wpd h LYS 488 CO 0.09 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.88 2wpd n GLY 489 N -1.17 0.64 3.30 3.86 0.00 0.28 -4.99 105.19 107.11 2wpd n GLY 489 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 2wpd n GLY 489 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wpd s GLU 490 N -0.06 1.59 -0.21 1.61 2.02 -1.26 -0.28 118.70 122.12 2wpd s GLU 490 Ca 0.00 -1.91 0.01 0.00 0.02 0.00 0.00 54.97 53.10 2wpd s GLU 490 Cb 0.00 0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.38 2wpd s GLU 490 CO 0.00 -0.52 -0.17 -0.51 0.02 0.00 0.00 175.26 174.09 2wpd s LEU 491 N -3.34 2.55 0.67 1.80 1.43 -1.26 -4.69 118.68 115.83 2wpd s LEU 491 Ca 0.38 -0.86 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2wpd s LEU 491 Cb 0.04 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.82 2wpd s LEU 491 CO 0.20 -0.06 0.94 -0.44 0.23 0.00 0.00 176.35 177.23 2wpd s SER 492 N 1.24 4.82 0.42 2.29 0.01 -1.26 -4.91 113.70 116.32 2wpd s SER 492 Ca 0.01 0.16 0.09 0.00 1.31 0.00 0.00 55.95 57.51 2wpd s SER 492 Cb -0.15 -0.82 0.91 0.00 0.21 0.00 0.00 66.02 66.17 2wpd s SER 492 CO -0.10 -1.54 2.05 0.11 0.41 0.00 0.00 173.24 174.18 2wpd h LYS 493 N -0.41 0.43 0.04 12.44 1.57 -2.00 -2.10 116.57 126.55 2wpd h LYS 493 Ca -0.42 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.14 2wpd h LYS 493 Cb 1.30 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 33.53 2wpd h LYS 493 CO 0.53 0.31 -0.73 0.93 -0.57 0.00 0.00 179.45 179.92 2wpd h GLU 494 N 0.44 0.42 -0.32 3.15 3.07 -2.00 -3.19 114.58 116.15 2wpd h GLU 494 Ca 0.12 -0.51 -0.03 0.00 -0.50 0.00 0.00 59.36 58.44 2wpd h GLU 494 Cb -0.00 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 2wpd h GLU 494 CO -0.02 1.17 0.08 -0.07 -1.40 0.00 0.00 179.01 178.77 2wpd h LEU 495 N -0.11 0.41 -0.53 1.33 3.38 -1.86 -1.79 115.31 116.15 2wpd h LEU 495 Ca -0.10 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 2wpd h LEU 495 Cb 1.47 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 2wpd h LEU 495 CO 0.14 0.42 -0.10 -0.07 0.09 0.00 0.00 178.44 178.92 2wpd h LEU 496 N 0.45 1.00 0.43 1.67 3.38 -1.48 -1.20 115.31 119.56 2wpd h LEU 496 Ca 0.11 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2wpd h LEU 496 Cb 0.17 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2wpd h LEU 496 CO -0.00 1.11 -0.26 0.00 0.09 0.00 0.00 178.44 179.38 2wpd h ALA 497 N 0.92 -0.65 -0.53 1.53 0.00 -1.33 0.45 119.26 119.66 2wpd h ALA 497 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2wpd h ALA 497 Cb 0.66 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2wpd h ALA 497 CO 0.05 -0.88 0.30 0.77 0.00 0.00 0.00 179.25 179.49 2wpd h SER 498 N -0.65 0.65 -0.50 0.00 0.02 -1.48 -1.95 113.55 109.62 2wpd h SER 498 Ca -0.05 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2wpd h SER 498 Cb 0.53 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2wpd h SER 498 CO 0.06 0.54 0.20 0.25 -1.14 0.00 0.00 176.83 176.74 2wpd h LEU 499 N 0.70 0.73 0.12 5.07 5.85 -1.00 -0.28 115.31 126.51 2wpd h LEU 499 Ca 0.19 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2wpd h LEU 499 Cb 0.02 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2wpd h LEU 499 CO -0.03 0.67 -0.06 0.50 -0.34 0.00 0.00 178.44 179.18 2wpd h LYS 500 N 0.79 -0.16 -0.02 1.25 3.64 0.32 -2.72 116.57 119.68 2wpd h LYS 500 Ca 0.19 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 2wpd h LYS 500 Cb 0.18 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2wpd h LYS 500 CO -0.01 -0.02 -0.34 0.77 -2.27 0.00 0.00 179.45 177.58 2wpd h SER 501 N -0.26 0.03 0.24 4.20 0.02 -1.02 -2.50 113.55 114.26 2wpd h SER 501 Ca -0.02 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 2wpd h SER 501 Cb 0.21 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2wpd h SER 501 CO 0.03 0.37 -0.41 0.00 -1.14 0.00 0.00 176.83 175.68 2wpd h ALA 502 N 1.63 1.13 0.18 3.77 0.00 -0.96 -2.12 119.26 122.90 2wpd h ALA 502 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2wpd h ALA 502 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wpd h ALA 502 CO 0.05 0.58 -0.09 1.15 0.00 0.00 0.00 179.25 180.94 2wpd h THR 503 N 0.18 0.73 -0.96 0.00 2.02 -1.14 -3.03 112.91 110.72 2wpd h THR 503 Ca 0.02 -1.08 0.05 0.00 0.77 0.00 0.00 66.41 66.17 2wpd h THR 503 Cb 0.80 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 68.39 2wpd h THR 503 CO 0.06 0.19 0.63 -0.33 0.37 0.00 0.00 175.52 176.44 2wpd h GLU 504 N -0.90 1.13 -0.81 6.66 5.08 -1.54 -1.63 114.58 122.57 2wpd h GLU 504 Ca -0.03 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2wpd h GLU 504 Cb 0.50 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2wpd h GLU 504 CO 0.04 0.75 0.49 1.03 -1.00 0.00 0.00 179.01 180.32 2wpd h SER 505 N 1.16 0.97 0.02 1.42 0.87 -1.47 -2.42 113.55 114.10 2wpd h SER 505 Ca 0.40 -0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.70 2wpd h SER 505 Cb 0.09 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2wpd h SER 505 CO -0.14 0.74 -0.71 0.15 -0.53 0.00 0.00 176.83 176.34 2wpd h PHE 506 N 1.11 0.83 -1.00 2.24 3.57 -1.20 -2.93 116.94 119.56 2wpd h PHE 506 Ca 0.29 -0.35 0.03 0.00 3.53 0.00 0.00 57.97 61.46 2wpd h PHE 506 Cb -0.05 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 2wpd h PHE 506 CO 0.00 1.15 0.66 0.28 -2.23 0.00 0.00 178.31 178.17 2wpd h VAL 507 N 0.44 1.21 -0.35 1.41 2.07 -1.11 -1.84 116.25 118.08 2wpd h VAL 507 Ca -0.03 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 2wpd h VAL 507 Cb 1.31 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2wpd h VAL 507 CO 0.14 0.24 -0.03 0.00 0.02 0.00 0.00 177.57 177.93 2wpd h ALA 508 N 1.40 1.29 -2.90 1.67 0.00 -1.40 -3.43 119.26 115.89 2wpd h ALA 508 Ca 0.39 -0.23 -0.53 0.00 0.00 0.00 0.00 54.91 54.53 2wpd h ALA 508 Cb -0.06 -0.15 0.11 0.00 0.00 0.00 0.00 17.79 17.69 2wpd h ALA 508 CO -0.11 0.48 0.57 0.99 0.00 0.00 0.00 179.25 181.18 2wpd s THR 509 N -4.91 2.46 0.00 0.00 2.01 -0.69 -5.13 115.64 109.38 2wpd s THR 509 Ca -0.08 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2wpd s THR 509 Cb 0.15 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.48 2wpd s THR 509 CO 0.78 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 175.04