#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wle s SER 7 N 0.00 3.21 -0.14 9.48 0.15 -0.53 -4.99 113.70 120.88 2wle s SER 7 Ca 0.00 -1.10 0.02 0.00 0.70 0.00 0.00 55.95 55.57 2wle s SER 7 Cb 0.00 -0.34 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 2wle s SER 7 CO 0.00 -0.41 -0.22 -0.70 1.20 0.00 0.00 173.24 173.11 2wle s GLU 8 N 2.09 2.99 -0.05 5.44 -6.30 -1.26 -1.10 118.70 120.52 2wle s GLU 8 Ca 0.07 -0.84 -0.01 0.00 -2.50 0.00 0.00 54.97 51.69 2wle s GLU 8 Cb -0.16 -2.43 0.03 0.00 0.00 0.00 0.00 34.13 31.57 2wle s GLU 8 CO -0.28 -0.03 0.01 -1.14 0.02 0.00 0.00 175.26 173.84 2wle s GLN 9 N 0.86 0.34 0.00 4.30 0.74 0.03 -5.00 119.66 120.93 2wle s GLN 9 Ca -0.06 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.49 2wle s GLN 9 Cb -0.15 -0.66 0.00 0.00 1.10 0.00 0.00 33.01 33.29 2wle s GLN 9 CO -0.03 -0.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.89 2wle n GLY 10 N 4.71 0.92 3.60 2.59 0.00 -1.26 -1.65 105.19 114.10 2wle n GLY 10 Ca -0.15 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 2wle n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wle s ILE 11 N -2.08 4.52 -1.28 -0.61 -1.09 -1.23 -4.68 121.20 114.74 2wle s ILE 11 Ca 0.00 -0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 58.26 2wle s ILE 11 Cb 0.00 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.87 2wle s ILE 11 CO 0.00 0.48 0.97 0.59 -1.23 0.00 0.00 174.94 175.75 2wle n ASN 12 N 3.44 -2.89 -4.76 3.58 4.13 -1.26 -0.46 115.26 117.05 2wle n ASN 12 Ca -0.17 -0.66 -0.39 0.00 1.68 0.00 0.00 54.58 55.04 2wle n ASN 12 Cb 0.52 -4.81 -0.05 0.00 -1.54 0.00 0.00 39.78 33.90 2wle n ASN 12 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2wle s ASN 13 N -4.09 7.09 -0.21 6.41 0.01 -1.26 -3.14 114.94 119.75 2wle s ASN 13 Ca 0.16 1.30 -0.01 0.00 -0.71 0.00 0.00 52.86 53.60 2wle s ASN 13 Cb -0.07 -2.41 0.01 0.00 0.41 0.00 0.00 41.25 39.19 2wle s ASN 13 CO 0.75 0.08 -0.12 -0.89 -1.51 0.00 0.00 177.10 175.41 2wle s THR 14 N -0.20 2.66 -0.24 1.60 2.01 0.18 -4.96 115.64 116.69 2wle s THR 14 Ca 0.34 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.53 2wle s THR 14 Cb -0.19 -2.22 0.05 0.00 0.01 0.00 0.00 72.50 70.15 2wle s THR 14 CO 0.20 0.41 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.78 2wle s ILE 15 N 1.35 2.12 -0.33 1.82 1.01 -1.26 -0.63 121.20 125.29 2wle s ILE 15 Ca 0.04 -1.44 0.03 0.00 0.00 0.00 0.00 60.65 59.27 2wle s ILE 15 Cb -0.14 -2.15 0.10 0.00 0.01 0.00 0.00 42.46 40.27 2wle s ILE 15 CO -0.08 0.12 0.05 0.21 0.00 0.00 0.00 174.94 175.24 2wle s ASN 16 N 1.16 4.55 -0.21 3.58 2.47 0.55 -4.98 114.94 122.06 2wle s ASN 16 Ca -0.05 -1.97 -0.02 0.00 0.42 0.00 0.00 52.86 51.24 2wle s ASN 16 Cb -0.18 -1.44 0.00 0.00 -1.45 0.00 0.00 41.25 38.19 2wle s ASN 16 CO -0.07 -0.37 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.21 2wle s ILE 17 N 1.09 2.90 0.31 -5.21 1.01 -1.26 -0.67 121.20 119.38 2wle s ILE 17 Ca 0.09 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 2wle s ILE 17 Cb -0.19 -2.31 -0.12 0.00 0.01 0.00 0.00 42.46 39.85 2wle s ILE 17 CO -0.12 0.44 1.39 -0.24 0.00 0.00 0.00 174.94 176.42 2wle n SER 18 N 4.73 3.05 0.11 3.58 2.88 -0.50 -4.84 113.62 122.62 2wle n SER 18 Ca -0.19 1.18 0.09 0.00 -1.33 0.00 0.00 58.87 58.62 2wle n SER 18 Cb 0.50 -1.50 0.44 0.00 -0.75 0.00 0.00 64.21 62.90 2wle n SER 18 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2wle n THR 19 N 1.05 1.14 0.90 2.46 -2.24 -1.26 -1.23 114.28 115.11 2wle n THR 19 Ca 0.07 0.51 0.10 0.00 -2.27 0.00 0.00 64.05 62.46 2wle n THR 19 Cb 0.35 -1.47 0.30 0.00 -2.10 0.00 0.00 70.33 67.41 2wle n THR 19 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wle n THR 20 N -2.06 0.35 -4.20 4.28 -2.24 -1.26 -4.91 114.28 104.24 2wle n THR 20 Ca 0.00 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 2wle n THR 20 Cb 0.09 0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 68.73 2wle n THR 20 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wle s SER 21 N -1.42 5.40 -0.12 3.42 0.01 -0.37 -3.19 113.70 117.43 2wle s SER 21 Ca 0.33 0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.55 2wle s SER 21 Cb 0.18 -1.49 -0.05 0.00 0.21 0.00 0.00 66.02 64.87 2wle s SER 21 CO 0.26 0.29 0.26 -0.76 0.41 0.00 0.00 173.24 173.69 2wle s LEU 22 N -1.57 4.32 -0.11 2.44 1.02 0.42 -4.94 118.68 120.26 2wle s LEU 22 Ca 0.20 0.56 0.15 0.00 0.02 0.00 0.00 54.13 55.06 2wle s LEU 22 Cb -0.12 -2.31 0.33 0.00 0.02 0.00 0.00 46.19 44.12 2wle s LEU 22 CO 0.11 0.24 1.16 0.35 0.02 0.00 0.00 176.35 178.22 2wle n THR 23 N 2.80 1.31 -1.62 5.49 -2.24 -1.26 -0.47 114.28 118.29 2wle n THR 23 Ca -0.15 -2.02 -0.58 0.00 -2.27 0.00 0.00 64.05 59.03 2wle n THR 23 Cb 0.53 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.83 2wle n THR 23 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wle n ASN 24 N -0.67 1.25 -1.02 3.42 4.13 -1.25 -1.59 115.26 119.52 2wle n ASN 24 Ca 0.13 1.13 -0.13 0.00 1.68 0.00 0.00 54.58 57.39 2wle n ASN 24 Cb 0.78 -1.05 -0.06 0.00 -1.54 0.00 0.00 39.78 37.92 2wle n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wle n ALA 25 N 3.08 -0.20 -2.77 5.41 0.00 -1.26 -0.86 120.51 123.91 2wle n ALA 25 Ca 0.23 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 2wle n ALA 25 Cb 0.10 -1.60 -0.08 0.00 0.00 0.00 0.00 19.45 17.87 2wle n ALA 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wle s THR 26 N -2.37 5.19 -0.32 0.00 2.01 -0.62 -3.21 115.64 116.31 2wle s THR 26 Ca 0.00 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 61.97 2wle s THR 26 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 2wle s THR 26 CO 0.00 0.46 0.31 -1.58 -0.69 0.00 0.00 174.62 173.12 2wle s GLN 27 N 0.24 3.71 -0.24 4.92 2.00 0.20 -4.91 119.66 125.58 2wle s GLN 27 Ca 0.07 -0.35 -0.03 0.00 -2.00 0.00 0.00 55.36 53.05 2wle s GLN 27 Cb -0.12 -3.75 0.01 0.00 0.80 0.00 0.00 33.01 29.96 2wle s GLN 27 CO -0.01 -0.40 -0.06 -1.17 -0.50 0.00 0.00 175.29 173.16 2wle s LEU 28 N 1.92 3.03 -0.13 3.68 2.96 -1.26 -0.34 118.68 128.54 2wle s LEU 28 Ca 0.10 -0.67 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 2wle s LEU 28 Cb -0.16 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.85 2wle s LEU 28 CO 0.11 -0.08 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.96 2wle s THR 29 N 1.39 1.94 -0.20 3.68 2.01 0.46 -1.45 115.64 123.47 2wle s THR 29 Ca 0.03 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.12 2wle s THR 29 Cb -0.15 -1.72 0.05 0.00 0.01 0.00 0.00 72.50 70.68 2wle s THR 29 CO -0.04 0.53 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.64 2wle s VAL 30 N 0.80 1.52 -0.27 3.82 1.01 -0.26 -0.50 120.40 126.52 2wle s VAL 30 Ca -0.08 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.93 2wle s VAL 30 Cb -0.16 -1.65 0.08 0.00 0.00 0.00 0.00 36.38 34.65 2wle s VAL 30 CO -0.01 0.11 0.01 -0.63 0.00 0.00 0.00 175.10 174.59 2wle s ILE 31 N 1.44 1.41 -5.00 2.22 1.01 0.08 -0.79 121.20 121.57 2wle s ILE 31 Ca -0.02 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.21 2wle s ILE 31 Cb -0.16 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.44 2wle s ILE 31 CO -0.08 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.11 2wle n GLY 32 N 4.67 0.50 3.36 6.18 0.00 -0.66 -1.07 105.19 118.17 2wle n GLY 32 Ca -0.06 -1.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 2wle n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wle s ASN 33 N -4.00 2.94 -1.46 1.61 0.01 -1.16 -3.57 114.94 109.32 2wle s ASN 33 Ca 0.00 -0.81 -0.09 0.00 -0.71 0.00 0.00 52.86 51.25 2wle s ASN 33 Cb 0.00 -0.19 0.05 0.00 0.41 0.00 0.00 41.25 41.52 2wle s ASN 33 CO 0.00 0.06 0.77 -3.20 -1.51 0.00 0.00 177.10 173.22 2wle n ASN 34 N 0.54 -5.19 -4.90 -1.22 5.15 0.39 -1.00 115.26 109.04 2wle n ASN 34 Ca -0.15 -0.49 -0.30 0.00 -0.60 0.00 0.00 54.58 53.04 2wle n ASN 34 Cb 0.55 -4.18 -0.04 0.00 -0.53 0.00 0.00 39.78 35.59 2wle n ASN 34 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2wle s ASN 35 N -2.96 6.50 -0.02 1.20 0.01 -1.25 -2.97 114.94 115.44 2wle s ASN 35 Ca 0.47 0.72 0.01 0.00 -0.71 0.00 0.00 52.86 53.36 2wle s ASN 35 Cb -0.23 -2.15 0.02 0.00 0.41 0.00 0.00 41.25 39.30 2wle s ASN 35 CO 0.58 -0.11 -0.02 -0.44 -1.51 0.00 0.00 177.10 175.60 2wle s SER 36 N -2.81 0.54 -0.11 -1.22 0.01 -0.03 -0.65 113.70 109.43 2wle s SER 36 Ca 0.44 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.65 2wle s SER 36 Cb -0.11 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.93 2wle s SER 36 CO 0.27 -0.04 -0.13 -0.69 0.41 0.00 0.00 173.24 173.05 2wle s VAL 37 N 0.60 1.38 -0.15 3.43 1.01 0.19 -1.22 120.40 125.64 2wle s VAL 37 Ca -0.07 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2wle s VAL 37 Cb -0.10 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2wle s VAL 37 CO -0.01 0.42 -0.20 -0.47 0.00 0.00 0.00 175.10 174.84 2wle s TYR 38 N 1.18 2.62 -0.12 5.22 5.04 0.28 -0.33 117.35 131.24 2wle s TYR 38 Ca -0.03 -1.42 0.02 0.00 -2.44 0.00 0.00 57.07 53.19 2wle s TYR 38 Cb -0.14 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.37 2wle s TYR 38 CO -0.04 -0.69 -0.18 0.42 -1.34 0.00 0.00 175.55 173.73 2wle s ILE 39 N 1.08 1.69 0.00 3.14 1.01 0.16 -0.32 121.20 127.96 2wle s ILE 39 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2wle s ILE 39 Cb -0.14 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.81 2wle s ILE 39 CO -0.07 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2wle n GLY 40 N 4.12 -0.09 3.84 6.18 0.00 0.06 -1.42 105.19 117.88 2wle n GLY 40 Ca -0.19 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 2wle n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wle s ASN 41 N -1.00 6.85 -1.50 1.61 0.02 -1.26 -4.15 114.94 115.51 2wle s ASN 41 Ca 0.00 1.18 -0.06 0.00 -1.02 0.00 0.00 52.86 52.95 2wle s ASN 41 Cb 0.00 -2.33 0.01 0.00 0.02 0.00 0.00 41.25 38.95 2wle s ASN 41 CO 0.00 0.01 0.79 0.59 0.02 0.00 0.00 177.10 178.50 2wle n ASN 42 N 0.46 -6.12 -4.90 -1.22 3.02 -1.19 -1.07 115.26 104.24 2wle n ASN 42 Ca -0.02 -0.38 -0.29 0.00 -0.03 0.00 0.00 54.58 53.86 2wle n ASN 42 Cb 0.52 -4.90 -0.03 0.00 -0.61 0.00 0.00 39.78 34.76 2wle n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wle s LYS 44 N -3.59 1.19 -0.56 0.00 1.02 -0.43 -0.44 119.74 116.93 2wle s LYS 44 Ca 0.44 -1.31 -0.00 0.00 0.02 0.00 0.00 55.97 55.12 2wle s LYS 44 Cb -0.11 -2.55 0.14 0.00 -0.52 0.00 0.00 37.83 34.80 2wle s LYS 44 CO 0.30 -0.87 0.34 0.42 -0.92 0.00 0.00 175.35 174.63 2wle s ILE 45 N 1.32 3.26 0.12 2.17 1.01 0.38 0.05 121.20 129.51 2wle s ILE 45 Ca 0.06 -2.97 0.08 0.00 0.00 0.00 0.00 60.65 57.83 2wle s ILE 45 Cb -0.18 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2wle s ILE 45 CO -0.14 -0.82 -0.14 0.68 0.00 0.00 0.00 174.94 174.51 2wle s VAL 46 N 0.01 3.07 -1.08 2.92 -7.23 0.02 -3.93 120.40 114.19 2wle s VAL 46 Ca 0.16 -1.45 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 2wle s VAL 46 Cb -0.22 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.31 2wle s VAL 46 CO -0.03 0.07 0.20 -1.20 -0.31 0.00 0.00 175.10 173.84 2wle n SER 47 N 0.65 -3.68 -4.85 4.85 7.64 -0.04 -1.71 113.62 116.49 2wle n SER 47 Ca -0.14 -0.02 -0.21 0.00 1.01 0.00 0.00 58.87 59.51 2wle n SER 47 Cb 0.53 -3.10 -0.04 0.00 -1.01 0.00 0.00 64.21 60.59 2wle n SER 47 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2wle s SER 48 N -2.31 5.38 -0.30 6.43 0.01 -1.24 -3.33 113.70 118.35 2wle s SER 48 Ca 0.16 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 57.00 2wle s SER 48 Cb -0.08 -1.13 0.10 0.00 0.21 0.00 0.00 66.02 65.11 2wle s SER 48 CO 0.20 -0.24 0.09 0.21 0.41 0.00 0.00 173.24 173.91 2wle s ASN 49 N -3.95 3.88 -0.25 2.44 3.84 0.15 -0.63 114.94 120.42 2wle s ASN 49 Ca 0.38 -1.52 -0.04 0.00 0.21 0.00 0.00 52.86 51.89 2wle s ASN 49 Cb -0.07 -0.78 0.01 0.00 -0.55 0.00 0.00 41.25 39.86 2wle s ASN 49 CO 0.26 -0.41 -0.02 -0.63 -2.79 0.00 0.00 177.10 173.51 2wle s ILE 50 N 1.70 3.32 -0.18 -5.21 1.01 0.53 -0.85 121.20 121.52 2wle s ILE 50 Ca 0.09 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2wle s ILE 50 Cb -0.17 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.68 2wle s ILE 50 CO -0.25 0.24 -0.18 -0.60 0.00 0.00 0.00 174.94 174.15 2wle s ARG 51 N 1.42 3.06 -0.36 2.79 3.52 0.39 -0.40 118.95 129.37 2wle s ARG 51 Ca 0.03 -0.80 -0.07 0.00 -0.13 0.00 0.00 55.73 54.75 2wle s ARG 51 Cb -0.16 -2.60 0.05 0.00 -1.56 0.00 0.00 34.95 30.68 2wle s ARG 51 CO -0.02 -0.15 0.14 -0.51 -0.81 0.00 0.00 175.30 173.95 2wle s LEU 52 N 1.18 4.54 -0.26 -0.88 1.02 0.35 -0.61 118.68 124.02 2wle s LEU 52 Ca 0.02 -1.24 0.03 0.00 0.02 0.00 0.00 54.13 52.96 2wle s LEU 52 Cb -0.14 -1.90 0.06 0.00 0.02 0.00 0.00 46.19 44.24 2wle s LEU 52 CO -0.09 -0.38 -0.11 -0.75 0.02 0.00 0.00 176.35 175.05 2wle s LYS 53 N 1.40 2.24 0.00 1.70 2.47 -0.39 -0.74 119.74 126.42 2wle s LYS 53 Ca -0.00 -1.35 0.00 0.00 -1.56 0.00 0.00 55.97 53.06 2wle s LYS 53 Cb -0.20 -2.89 0.00 0.00 -1.46 0.00 0.00 37.83 33.27 2wle s LYS 53 CO 0.03 -0.57 0.00 0.41 0.16 0.00 0.00 175.35 175.37 2wle n GLY 54 N 4.43 0.96 3.33 5.54 0.00 -0.23 -3.35 105.19 115.87 2wle n GLY 54 Ca -0.14 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 43.76 2wle n GLY 54 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wle s ASN 55 N -4.00 2.83 -1.41 1.61 0.01 -1.26 -3.01 114.94 109.71 2wle s ASN 55 Ca 0.00 -0.76 -0.07 0.00 -0.71 0.00 0.00 52.86 51.32 2wle s ASN 55 Cb 0.00 -0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.50 2wle s ASN 55 CO 0.00 0.07 0.95 0.59 -1.51 0.00 0.00 177.10 177.20 2wle n ASN 56 N 0.78 -6.22 -4.86 -1.22 5.03 -0.17 -0.51 115.26 108.09 2wle n ASN 56 Ca -0.17 -0.43 -0.36 0.00 0.87 0.00 0.00 54.58 54.49 2wle n ASN 56 Cb 0.54 -4.92 -0.06 0.00 -1.02 0.00 0.00 39.78 34.33 2wle n ASN 56 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wle s ILE 57 N -3.26 5.11 -0.03 2.41 1.01 -1.25 -3.45 121.20 121.73 2wle s ILE 57 Ca 0.47 0.55 0.05 0.00 0.00 0.00 0.00 60.65 61.72 2wle s ILE 57 Cb -0.21 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 2wle s ILE 57 CO 0.58 0.40 -0.18 0.42 0.00 0.00 0.00 174.94 176.17 2wle s THR 58 N -1.27 1.43 -0.11 2.92 -4.23 -0.50 -0.85 115.64 113.04 2wle s THR 58 Ca 0.29 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2wle s THR 58 Cb -0.15 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.51 2wle s THR 58 CO 0.16 0.41 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.33 2wle s LEU 59 N -0.19 1.33 -0.15 4.79 2.96 -0.36 -1.63 118.68 125.43 2wle s LEU 59 Ca 0.01 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 2wle s LEU 59 Cb -0.09 -0.88 0.03 0.00 0.50 0.00 0.00 46.19 45.74 2wle s LEU 59 CO 0.01 -0.08 -0.10 0.12 -1.32 0.00 0.00 176.35 174.98 2wle s PHE 60 N 1.49 1.90 -0.15 5.38 5.36 -0.23 -0.56 117.98 131.18 2wle s PHE 60 Ca 0.01 -1.10 0.01 0.00 -0.96 0.00 0.00 56.93 54.90 2wle s PHE 60 Cb -0.13 -1.44 0.02 0.00 -0.34 0.00 0.00 43.02 41.13 2wle s PHE 60 CO -0.06 -0.62 -0.18 0.42 -1.46 0.00 0.00 175.22 173.31 2wle s ILE 61 N 1.57 1.83 0.00 3.12 1.01 0.57 -0.74 121.20 128.55 2wle s ILE 61 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2wle s ILE 61 Cb -0.14 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2wle s ILE 61 CO -0.09 0.50 0.00 0.00 0.00 0.00 0.00 174.94 175.35 2wle n ALA 62 N 4.47 0.00 -1.75 9.38 0.00 -0.06 -0.76 120.51 131.79 2wle n ALA 62 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.90 2wle n ALA 62 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 2wle n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wle s ASP 63 N -1.00 5.87 -1.33 0.00 1.01 -1.26 -3.90 116.67 116.05 2wle s ASP 63 Ca 0.00 2.05 0.00 0.00 0.71 0.00 0.00 52.55 55.31 2wle s ASP 63 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2wle s ASP 63 CO 0.00 -1.11 0.00 0.47 0.21 0.00 0.00 175.17 174.74 2wle n ASP 64 N -1.36 -4.51 -4.78 0.27 8.00 -0.23 -1.52 116.55 112.42 2wle n ASP 64 Ca 0.10 0.11 -0.38 0.00 0.71 0.00 0.00 54.79 55.33 2wle n ASP 64 Cb 0.52 -3.53 -0.06 0.00 -0.02 0.00 0.00 41.12 38.02 2wle n ASP 64 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wle s VAL 65 N -2.66 4.94 -0.12 2.53 1.01 -1.25 -3.19 120.40 121.67 2wle s VAL 65 Ca 0.00 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.09 2wle s VAL 65 Cb 0.00 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2wle s VAL 65 CO 0.00 0.47 -0.16 -1.61 0.00 0.00 0.00 175.10 173.80 2wle s GLU 66 N -0.45 2.33 -0.04 2.72 2.02 -0.76 -1.31 118.70 123.21 2wle s GLU 66 Ca 0.28 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.68 2wle s GLU 66 Cb -0.18 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.08 2wle s GLU 66 CO 0.16 -0.09 -0.02 0.42 0.02 0.00 0.00 175.26 175.74 2wle s ILE 67 N 1.06 0.37 -0.23 -1.63 1.01 0.11 -0.72 121.20 121.17 2wle s ILE 67 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 2wle s ILE 67 Cb -0.15 -0.43 0.07 0.00 0.01 0.00 0.00 42.46 41.96 2wle s ILE 67 CO -0.03 0.19 0.01 -0.32 0.00 0.00 0.00 174.94 174.79 2wle s MET 68 N 0.99 1.05 0.00 2.79 -2.45 -0.74 -0.80 119.30 120.14 2wle s MET 68 Ca -0.10 -0.76 0.00 0.00 -1.25 0.00 0.00 55.69 53.58 2wle s MET 68 Cb -0.14 -2.30 0.00 0.00 1.25 0.00 0.00 34.83 33.64 2wle s MET 68 CO -0.01 -0.68 0.00 0.41 1.05 0.00 0.00 175.02 175.79 2wle n GLY 69 N 4.86 0.75 3.70 2.11 0.00 -0.69 -1.63 105.19 114.30 2wle n GLY 69 Ca -0.09 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 2wle n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wle s LEU 70 N -0.50 4.34 -0.34 0.99 2.96 -1.26 -2.24 118.68 122.63 2wle s LEU 70 Ca 0.00 1.73 -0.09 0.00 -0.22 0.00 0.00 54.13 55.56 2wle s LEU 70 Cb 0.00 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.14 2wle s LEU 70 CO 0.00 -0.38 0.15 -0.69 -1.32 0.00 0.00 176.35 174.10 2wle s VAL 71 N 1.35 4.27 -0.10 1.68 1.01 0.64 0.30 120.40 129.56 2wle s VAL 71 Ca 0.53 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2wle s VAL 71 Cb -0.23 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2wle s VAL 71 CO 0.26 -0.09 -0.14 0.00 0.00 0.00 0.00 175.10 175.12 2wle s SER 73 N 0.99 3.04 -0.04 0.00 0.15 -0.35 -0.46 113.70 117.03 2wle s SER 73 Ca -0.07 -0.66 0.07 0.00 0.70 0.00 0.00 55.95 55.99 2wle s SER 73 Cb -0.15 -1.28 -0.02 0.00 -1.71 0.00 0.00 66.02 62.87 2wle s SER 73 CO -0.01 -0.07 -0.25 -0.76 1.20 0.00 0.00 173.24 173.35 2wle s LEU 74 N 1.40 2.05 0.55 3.45 1.43 0.22 -1.25 118.68 126.53 2wle s LEU 74 Ca 0.03 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 2wle s LEU 74 Cb -0.14 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.81 2wle s LEU 74 CO -0.10 0.28 0.44 -1.00 0.23 0.00 0.00 176.35 176.19 2wle s HIS 75 N -0.39 1.62 0.17 0.29 3.76 -1.01 -1.26 115.29 118.46 2wle s HIS 75 Ca 0.04 -0.83 -0.33 0.00 -0.15 0.00 0.00 55.06 53.79 2wle s HIS 75 Cb -0.11 -1.94 -0.16 0.00 1.11 0.00 0.00 32.58 31.48 2wle s HIS 75 CO 0.01 -0.53 1.16 0.43 -0.85 0.00 0.00 174.74 174.95 2wle n SER 76 N -1.81 1.29 -0.49 1.40 7.64 -1.21 -1.96 113.62 118.47 2wle n SER 76 Ca -0.00 1.14 -0.06 0.00 1.01 0.00 0.00 58.87 60.96 2wle n SER 76 Cb 0.64 -1.21 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2wle n SER 76 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2wle n ASP 77 N 2.02 -4.71 -4.95 6.43 8.00 0.33 -3.91 116.55 119.76 2wle n ASP 77 Ca 0.15 0.16 -0.23 0.00 0.71 0.00 0.00 54.79 55.58 2wle n ASP 77 Cb 0.24 -2.77 0.01 0.00 -0.02 0.00 0.00 41.12 38.58 2wle n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wle s SER 79 N -4.21 -0.27 -0.08 0.00 0.15 -0.75 -1.40 113.70 107.14 2wle s SER 79 Ca 0.48 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.68 2wle s SER 79 Cb -0.10 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 2wle s SER 79 CO 0.38 -0.12 -0.14 -0.22 1.20 0.00 0.00 173.24 174.35 2wle s LEU 80 N 0.53 1.67 -0.08 3.45 2.96 -0.65 -1.09 118.68 125.48 2wle s LEU 80 Ca -0.03 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 2wle s LEU 80 Cb -0.05 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.71 2wle s LEU 80 CO -0.03 0.03 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.79 2wle s GLN 81 N 0.78 1.94 -0.15 1.98 -0.21 -0.60 -1.07 119.66 122.33 2wle s GLN 81 Ca -0.12 -0.49 -0.00 0.00 0.02 0.00 0.00 55.36 54.77 2wle s GLN 81 Cb -0.16 -1.59 0.03 0.00 1.00 0.00 0.00 33.01 32.30 2wle s GLN 81 CO 0.02 0.03 -0.07 0.42 -2.12 0.00 0.00 175.29 173.57 2wle s ILE 82 N 0.69 1.11 0.72 1.08 1.01 0.08 -0.18 121.20 125.71 2wle s ILE 82 Ca -0.14 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 2wle s ILE 82 Cb -0.16 -1.21 0.09 0.00 0.01 0.00 0.00 42.46 41.18 2wle s ILE 82 CO 0.04 0.24 1.02 -1.10 0.00 0.00 0.00 174.94 175.13 2wle s GLN 83 N 1.65 1.95 0.40 2.79 -1.52 -0.27 -0.88 119.66 123.78 2wle s GLN 83 Ca 0.03 -0.51 -0.27 0.00 -1.95 0.00 0.00 55.36 52.66 2wle s GLN 83 Cb -0.14 -2.20 -0.10 0.00 -0.22 0.00 0.00 33.01 30.34 2wle s GLN 83 CO -0.08 -1.35 1.39 0.00 -0.25 0.00 0.00 175.29 174.99 2wle n ALA 84 N -2.93 1.84 -0.98 6.09 0.00 -1.26 -3.16 120.51 120.11 2wle n ALA 84 Ca 0.10 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2wle n ALA 84 Cb 0.60 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2wle n ALA 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wle n LYS 85 N 0.22 -0.24 -2.60 0.00 5.02 -0.57 -0.87 118.16 119.11 2wle n LYS 85 Ca 0.04 0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.99 2wle n LYS 85 Cb 0.39 -3.20 -0.05 0.00 -0.02 0.00 0.00 35.03 32.15 2wle n LYS 85 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wle s THR 86 N -2.22 3.76 0.04 -0.18 2.01 -1.19 -4.14 115.64 113.72 2wle s THR 86 Ca 0.00 1.74 0.09 0.00 0.31 0.00 0.00 61.69 63.83 2wle s THR 86 Cb 0.00 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2wle s THR 86 CO 0.00 0.39 -0.25 0.42 -0.69 0.00 0.00 174.62 174.48 2wle s THR 87 N -1.21 2.05 -0.07 -0.82 -4.23 -0.20 -1.82 115.64 109.34 2wle s THR 87 Ca 0.44 -1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 59.59 2wle s THR 87 Cb -0.29 -1.75 0.03 0.00 1.34 0.00 0.00 72.50 71.83 2wle s THR 87 CO 0.36 0.37 0.16 -0.04 -0.54 0.00 0.00 174.62 174.92 2wle s MET 88 N -1.15 0.13 0.00 3.99 -1.94 0.11 -0.57 119.30 119.86 2wle s MET 88 Ca 0.11 0.34 0.00 0.00 -1.71 0.00 0.00 55.69 54.42 2wle s MET 88 Cb -0.10 -0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.65 2wle s MET 88 CO 0.02 -0.12 0.00 0.41 -0.01 0.00 0.00 175.02 175.32 2wle n GLY 89 N 3.84 0.81 3.77 -0.03 0.00 0.44 -1.78 105.19 112.24 2wle n GLY 89 Ca -0.22 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 2wle n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wle s ASN 90 N -1.00 6.59 0.00 1.61 0.02 -0.65 -4.33 114.94 117.18 2wle s ASN 90 Ca 0.00 2.83 0.00 0.00 -1.02 0.00 0.00 52.86 54.67 2wle s ASN 90 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 41.25 38.62 2wle s ASN 90 CO 0.00 -0.69 0.00 0.61 0.02 0.00 0.00 177.10 177.04 2wle n GLY 91 N 0.89 -1.35 2.88 0.66 0.00 -0.95 -0.26 105.19 107.06 2wle n GLY 91 Ca 0.01 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 2wle n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wle s GLU 92 N -0.91 0.69 -0.09 1.61 2.12 -0.56 -0.26 118.70 121.31 2wle s GLU 92 Ca 0.00 -0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.28 2wle s GLU 92 Cb 0.00 -0.73 0.01 0.00 0.26 0.00 0.00 34.13 33.68 2wle s GLU 92 CO 0.00 -0.08 -0.15 0.42 -0.54 0.00 0.00 175.26 174.92 2wle s ILE 93 N 0.86 1.37 -0.08 -3.70 1.01 -0.30 -1.12 121.20 119.23 2wle s ILE 93 Ca -0.11 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2wle s ILE 93 Cb -0.14 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.10 2wle s ILE 93 CO -0.00 0.41 -0.10 -0.89 0.00 0.00 0.00 174.94 174.36 2wle s THR 94 N 0.79 1.07 -0.06 2.92 2.01 -0.41 -1.22 115.64 120.74 2wle s THR 94 Ca -0.11 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.51 2wle s THR 94 Cb -0.16 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.35 2wle s THR 94 CO 0.02 0.35 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.55 2wle s ILE 95 N 1.03 1.14 0.00 1.82 1.01 -0.38 -2.67 121.20 123.14 2wle s ILE 95 Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2wle s ILE 95 Cb -0.15 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.29 2wle s ILE 95 CO -0.01 0.35 0.00 0.00 0.00 0.00 0.00 174.94 175.29 2wle n ALA 96 N 3.71 0.00 -3.64 9.38 0.00 -1.26 -2.40 120.51 126.31 2wle n ALA 96 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.95 2wle n ALA 96 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wle n ALA 96 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wle n GLU 97 N 0.00 -4.09 -3.00 0.00 1.02 -1.26 -1.94 120.64 111.37 2wle n GLU 97 Ca 0.00 0.53 -0.21 0.00 -0.02 0.00 0.00 57.16 57.46 2wle n GLU 97 Cb 0.00 -5.31 0.01 0.00 -0.02 0.00 0.00 31.44 26.13 2wle n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wle n LYS 98 N -4.13 -3.65 -1.35 3.49 5.02 -1.25 -4.94 118.16 111.34 2wle n LYS 98 Ca 0.01 0.71 -0.02 0.00 -2.02 0.00 0.00 58.31 56.99 2wle n LYS 98 Cb 0.53 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 2wle n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wle n GLY 99 N -1.24 2.29 3.12 0.72 0.00 -0.82 -4.64 105.19 104.62 2wle n GLY 99 Ca -0.09 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 2wle n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wle s LYS 100 N -2.22 0.61 -0.03 1.61 -2.85 -1.26 -1.80 119.74 113.80 2wle s LYS 100 Ca 0.05 -0.79 0.03 0.00 -1.00 0.00 0.00 55.97 54.25 2wle s LYS 100 Cb -0.00 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 2wle s LYS 100 CO 0.03 -0.16 -0.10 0.42 0.10 0.00 0.00 175.35 175.65 2wle s ILE 101 N -2.78 0.85 -0.06 3.79 1.01 -0.25 -2.39 121.20 121.37 2wle s ILE 101 Ca -0.04 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.24 2wle s ILE 101 Cb -0.00 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.73 2wle s ILE 101 CO -0.05 0.26 -0.10 -0.55 0.00 0.00 0.00 174.94 174.50 2wle s SER 102 N 0.20 1.50 -0.11 3.58 0.15 -0.55 -1.56 113.70 116.91 2wle s SER 102 Ca -0.04 -0.24 0.03 0.00 0.70 0.00 0.00 55.95 56.40 2wle s SER 102 Cb -0.09 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 2wle s SER 102 CO 0.01 0.01 -0.23 -0.63 1.20 0.00 0.00 173.24 173.60 2wle s ILE 103 N 0.72 2.11 0.00 6.45 1.01 0.75 -0.53 121.20 131.71 2wle s ILE 103 Ca -0.14 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.52 2wle s ILE 103 Cb -0.15 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.50 2wle s ILE 103 CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2wle n GLY 104 N 3.67 -1.31 3.78 6.18 0.00 0.49 -1.11 105.19 116.88 2wle n GLY 104 Ca -0.19 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 2wle n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wle s LYS 105 N -2.53 4.27 -1.49 1.61 1.02 -1.26 -3.66 119.74 117.70 2wle s LYS 105 Ca 0.00 1.54 -0.11 0.00 0.02 0.00 0.00 55.97 57.42 2wle s LYS 105 Cb 0.00 -2.66 0.07 0.00 -0.52 0.00 0.00 37.83 34.72 2wle s LYS 105 CO 0.00 -0.06 0.93 -3.47 -0.92 0.00 0.00 175.35 171.84 2wle n ASP 106 N 0.17 -4.16 -4.91 2.83 2.03 -0.05 0.55 116.55 112.99 2wle n ASP 106 Ca 0.04 -0.78 -0.27 0.00 0.52 0.00 0.00 54.79 54.29 2wle n ASP 106 Cb 0.49 -3.93 0.02 0.00 -0.72 0.00 0.00 41.12 36.98 2wle n ASP 106 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wle s MET 108 N -4.90 0.45 -0.38 0.00 1.75 0.24 -1.03 119.30 115.43 2wle s MET 108 Ca 0.51 -0.50 -0.09 0.00 -1.25 0.00 0.00 55.69 54.37 2wle s MET 108 Cb -0.10 -1.83 0.05 0.00 2.84 0.00 0.00 34.83 35.79 2wle s MET 108 CO 0.45 -0.79 0.19 -0.51 -0.65 0.00 0.00 175.02 173.71 2wle s LEU 109 N 1.92 4.77 0.82 4.11 1.02 0.26 -1.13 118.68 130.45 2wle s LEU 109 Ca 0.04 -1.26 -0.11 0.00 0.02 0.00 0.00 54.13 52.81 2wle s LEU 109 Cb -0.17 -1.95 0.08 0.00 0.02 0.00 0.00 46.19 44.17 2wle s LEU 109 CO -0.18 -0.43 1.09 0.00 0.02 0.00 0.00 176.35 176.86 2wle s ALA 110 N 1.44 2.07 0.41 4.21 0.00 -0.60 -0.42 121.76 128.88 2wle s ALA 110 Ca 0.01 -0.10 -0.24 0.00 0.00 0.00 0.00 51.96 51.64 2wle s ALA 110 Cb -0.21 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 2wle s ALA 110 CO 0.03 -1.88 0.88 0.72 0.00 0.00 0.00 175.76 175.51 2wle n HIS 111 N -3.55 0.71 -0.51 0.00 8.25 -1.26 -3.49 115.22 115.36 2wle n HIS 111 Ca 0.07 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 2wle n HIS 111 Cb 0.55 -2.16 0.00 0.00 1.12 0.00 0.00 29.99 29.50 2wle n HIS 111 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wle n GLY 112 N 1.36 0.74 3.76 -1.41 0.00 0.64 -1.13 105.19 109.15 2wle n GLY 112 Ca 0.10 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2wle n GLY 112 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wle s TYR 113 N -2.00 2.58 -0.06 1.61 1.13 -1.23 -3.64 117.35 115.73 2wle s TYR 113 Ca 0.00 1.50 -0.01 0.00 -1.41 0.00 0.00 57.07 57.15 2wle s TYR 113 Cb 0.00 -3.48 0.03 0.00 -1.10 0.00 0.00 41.96 37.41 2wle s TYR 113 CO 0.00 -2.01 0.01 -2.00 -2.51 0.00 0.00 175.55 169.04 2wle s GLU 114 N -3.03 0.47 -0.08 -3.49 2.12 0.15 -1.50 118.70 113.35 2wle s GLU 114 Ca 0.71 0.16 0.01 0.00 0.36 0.00 0.00 54.97 56.21 2wle s GLU 114 Cb -0.31 -0.87 0.02 0.00 0.26 0.00 0.00 34.13 33.23 2wle s GLU 114 CO 0.35 -0.30 -0.09 0.42 -0.54 0.00 0.00 175.26 175.10 2wle s ILE 115 N 1.99 0.98 -0.07 -3.70 1.01 -0.27 0.18 121.20 121.31 2wle s ILE 115 Ca 0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.28 2wle s ILE 115 Cb -0.12 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.41 2wle s ILE 115 CO -0.05 0.34 0.24 0.00 0.00 0.00 0.00 174.94 175.47 2wle s ARG 116 N 1.18 0.34 0.00 2.79 1.70 -0.59 -1.29 118.95 123.08 2wle s ARG 116 Ca -0.05 0.21 0.21 0.00 -0.47 0.00 0.00 55.73 55.63 2wle s ARG 116 Cb -0.14 0.16 0.56 0.00 -0.57 0.00 0.00 34.95 34.95 2wle s ARG 116 CO -0.02 -0.06 1.45 0.27 -1.08 0.00 0.00 175.30 175.87 2wle n ASN 117 N 2.64 2.59 -3.80 -2.89 6.94 -1.09 -2.08 115.26 117.58 2wle n ASN 117 Ca -0.15 -1.89 -0.12 0.00 -0.02 0.00 0.00 54.58 52.40 2wle n ASN 117 Cb 0.58 -0.21 -0.09 0.00 -2.36 0.00 0.00 39.78 37.69 2wle n ASN 117 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2wle s THR 118 N -1.57 0.06 -0.84 5.53 -1.32 -1.26 -1.73 115.64 114.50 2wle s THR 118 Ca 0.35 -0.53 0.25 0.00 -1.21 0.00 0.00 61.69 60.55 2wle s THR 118 Cb 0.20 -0.53 0.06 0.00 -1.51 0.00 0.00 72.50 70.72 2wle s THR 118 CO 0.28 -0.29 1.46 0.47 -2.21 0.00 0.00 174.62 174.32 2wle n ASP 119 N 1.43 0.53 0.00 8.08 8.00 -1.26 -4.84 116.55 128.49 2wle n ASP 119 Ca -0.22 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2wle n ASP 119 Cb 0.56 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 2wle n ASP 119 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2wle n MET 120 N -1.78 0.00 -3.71 -1.24 2.81 -1.26 -4.96 117.12 106.99 2wle n MET 120 Ca 0.05 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.79 2wle n MET 120 Cb 0.38 -2.09 -0.08 0.00 -0.71 0.00 0.00 33.22 30.72 2wle n MET 120 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2wle s HIS 121 N -2.92 -0.31 0.36 2.03 3.76 -1.26 -5.16 115.29 111.79 2wle s HIS 121 Ca 0.00 0.54 -0.23 0.00 -0.15 0.00 0.00 55.06 55.21 2wle s HIS 121 Cb 0.00 0.17 -0.10 0.00 1.11 0.00 0.00 32.58 33.76 2wle s HIS 121 CO 0.00 -0.42 0.93 -1.25 -0.85 0.00 0.00 174.74 173.15 2wle s PRO 122 N -1.15 4.41 -0.09 8.40 0.04 -1.26 -5.02 135.00 140.32 2wle s PRO 122 Ca -0.12 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.16 2wle s PRO 122 Cb -0.04 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2wle s PRO 122 CO 0.05 0.16 -0.22 0.42 0.04 0.00 0.00 177.00 177.45 2wle s ILE 123 N -1.85 1.89 0.05 0.56 1.01 -1.26 -5.05 121.20 116.55 2wle s ILE 123 Ca 0.55 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 60.33 2wle s ILE 123 Cb -0.14 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 2wle s ILE 123 CO 0.19 0.52 -0.11 -0.31 0.00 0.00 0.00 174.94 175.23 2wle s TYR 124 N 0.41 2.73 0.10 3.97 2.02 -1.26 -0.40 117.35 124.93 2wle s TYR 124 Ca -0.18 -0.15 -0.27 0.00 -0.37 0.00 0.00 57.07 56.10 2wle s TYR 124 Cb -0.18 -1.50 -0.06 0.00 -0.40 0.00 0.00 41.96 39.82 2wle s TYR 124 CO 0.08 0.35 0.85 0.45 -1.57 0.00 0.00 175.55 175.71 2wle s SER 125 N -1.68 7.37 0.27 2.29 0.15 -0.35 -4.91 113.70 116.84 2wle s SER 125 Ca 0.18 1.64 0.25 0.00 0.70 0.00 0.00 55.95 58.72 2wle s SER 125 Cb -0.11 -2.53 0.94 0.00 -1.71 0.00 0.00 66.02 62.62 2wle s SER 125 CO 0.09 0.03 1.75 -0.07 1.20 0.00 0.00 173.24 176.24 2wle h LEU 126 N 5.31 0.00 -1.15 3.45 3.38 -1.95 0.30 115.31 124.65 2wle h LEU 126 Ca -0.44 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 2wle h LEU 126 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2wle h LEU 126 CO 0.70 0.00 -0.37 -0.33 0.09 0.00 0.00 178.44 178.53 2wle h GLU 127 N 0.00 0.10 0.00 1.13 5.08 -1.97 -3.39 114.58 115.54 2wle h GLU 127 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wle h GLU 127 Cb 0.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2wle h GLU 127 CO 0.00 0.46 0.00 0.27 -1.00 0.00 0.00 179.01 178.74 2wle n ASN 128 N -4.08 0.00 0.00 1.42 0.23 -1.16 -5.02 115.26 106.65 2wle n ASN 128 Ca -0.02 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 2wle n ASN 128 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 2wle n ASN 128 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wle n GLY 129 N 0.00 0.59 3.83 4.83 0.00 0.10 -5.00 105.19 109.54 2wle n GLY 129 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2wle n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wle s GLU 130 N -0.41 4.16 0.13 1.61 0.41 -1.24 -4.67 118.70 118.69 2wle s GLU 130 Ca 0.00 0.83 -0.31 0.00 -0.41 0.00 0.00 54.97 55.08 2wle s GLU 130 Cb 0.00 -2.62 -0.08 0.00 -1.78 0.00 0.00 34.13 29.65 2wle s GLU 130 CO 0.00 0.25 1.39 0.50 -0.49 0.00 0.00 175.26 176.91 2wle s ARG 131 N -2.52 4.32 0.00 1.61 3.52 -1.26 -1.21 118.95 123.41 2wle s ARG 131 Ca 0.50 2.09 0.10 0.00 -0.13 0.00 0.00 55.73 58.28 2wle s ARG 131 Cb -0.13 -3.23 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 2wle s ARG 131 CO 0.19 -0.42 0.73 0.44 -0.81 0.00 0.00 175.30 175.42 2wle n ILE 132 N 3.76 0.00 -2.33 4.11 -5.35 0.47 -4.74 119.36 115.27 2wle n ILE 132 Ca 0.11 -0.46 -0.24 0.00 -0.27 0.00 0.00 62.75 61.89 2wle n ILE 132 Cb 0.42 1.17 0.01 0.00 -1.74 0.00 0.00 39.64 39.50 2wle n ILE 132 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2wle n ASN 133 N 0.20 4.56 -4.75 7.28 6.94 -1.24 -5.02 115.26 123.23 2wle n ASN 133 Ca 0.05 -3.64 -0.37 0.00 -0.02 0.00 0.00 54.58 50.60 2wle n ASN 133 Cb 0.23 -0.42 0.04 0.00 -2.36 0.00 0.00 39.78 37.26 2wle n ASN 133 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2wle s HIS 134 N -3.55 2.34 0.73 -2.53 3.76 -1.26 -4.76 115.29 110.02 2wle s HIS 134 Ca 0.48 1.46 -0.15 0.00 -0.15 0.00 0.00 55.06 56.70 2wle s HIS 134 Cb 0.40 -3.63 0.04 0.00 1.11 0.00 0.00 32.58 30.50 2wle s HIS 134 CO -0.09 -2.52 1.21 0.20 -0.85 0.00 0.00 174.74 172.69 2wle s GLY 135 N -1.30 2.36 -0.10 -2.22 0.00 -1.26 -5.00 107.32 99.80 2wle s GLY 135 Ca 0.75 0.88 -0.06 0.00 0.00 0.00 0.00 44.72 46.29 2wle s GLY 135 CO 0.40 1.29 0.24 0.54 0.00 0.00 0.00 173.10 175.56 2wle s LYS 136 N -3.89 0.23 0.55 2.90 1.02 -0.71 -4.99 119.74 114.85 2wle s LYS 136 Ca 0.74 0.44 -0.21 0.00 0.02 0.00 0.00 55.97 56.97 2wle s LYS 136 Cb -0.29 -0.02 -0.06 0.00 -0.52 0.00 0.00 37.83 36.94 2wle s LYS 136 CO 0.45 -0.11 1.09 -0.25 -0.92 0.00 0.00 175.35 175.61 2wle n ASP 137 N 3.71 1.45 -4.52 2.83 8.00 -1.26 -1.31 116.55 125.44 2wle n ASP 137 Ca -0.20 0.90 -0.34 0.00 0.71 0.00 0.00 54.79 55.86 2wle n ASP 137 Cb 0.55 -1.44 -0.12 0.00 -0.02 0.00 0.00 41.12 40.09 2wle n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wle s VAL 138 N -1.40 3.79 -0.20 2.53 1.01 -1.01 -2.93 120.40 122.19 2wle s VAL 138 Ca 0.72 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 2wle s VAL 138 Cb -0.44 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.37 2wle s VAL 138 CO 0.50 0.53 -0.04 -0.63 0.00 0.00 0.00 175.10 175.46 2wle s ILE 139 N -0.06 1.21 -0.29 2.22 1.01 -0.33 -1.49 121.20 123.46 2wle s ILE 139 Ca 0.01 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 2wle s ILE 139 Cb -0.13 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 2wle s ILE 139 CO 0.03 -0.04 0.16 -0.63 0.00 0.00 0.00 174.94 174.46 2wle s ILE 140 N 1.56 4.87 0.92 2.92 1.01 0.31 -0.55 121.20 132.24 2wle s ILE 140 Ca -0.03 -0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 2wle s ILE 140 Cb -0.17 -3.40 0.23 0.00 0.01 0.00 0.00 42.46 39.13 2wle s ILE 140 CO -0.07 0.16 0.64 0.61 0.00 0.00 0.00 174.94 176.28 2wle n GLY 141 N 5.02 -3.38 3.78 6.18 0.00 -0.29 -0.38 105.19 116.10 2wle n GLY 141 Ca -0.14 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 2wle n GLY 141 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wle s ASN 142 N -3.04 6.76 -1.25 1.61 0.01 -1.26 -3.29 114.94 114.49 2wle s ASN 142 Ca 0.46 2.11 -0.01 0.00 -0.71 0.00 0.00 52.86 54.70 2wle s ASN 142 Cb -0.07 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 2wle s ASN 142 CO 0.37 -0.49 0.82 1.57 -1.51 0.00 0.00 177.10 177.86 2wle n HIS 143 N 0.07 -2.04 -4.23 2.20 -0.00 0.19 -1.53 115.22 109.88 2wle n HIS 143 Ca 0.04 0.86 -0.35 0.00 0.46 0.00 0.00 57.72 58.73 2wle n HIS 143 Cb 0.49 -4.56 -0.10 0.00 -0.12 0.00 0.00 29.99 25.70 2wle n HIS 143 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2wle s VAL 144 N -3.54 4.49 -0.25 3.57 1.01 -1.26 -2.39 120.40 122.03 2wle s VAL 144 Ca 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2wle s VAL 144 Cb -0.01 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.45 2wle s VAL 144 CO 0.78 0.55 -0.04 0.86 0.00 0.00 0.00 175.10 177.25 2wle s TRP 145 N -0.35 3.07 -0.32 5.22 -0.00 0.10 -0.59 118.94 126.06 2wle s TRP 145 Ca 0.08 -1.46 -0.15 0.00 -0.00 0.00 0.00 56.10 54.57 2wle s TRP 145 Cb -0.12 -2.09 -0.02 0.00 -0.00 0.00 0.00 33.47 31.24 2wle s TRP 145 CO 0.02 -0.70 0.38 -0.51 -0.00 0.00 0.00 176.95 176.13 2wle s LEU 146 N 1.35 4.32 0.00 5.86 1.02 -0.28 -0.14 118.68 130.80 2wle s LEU 146 Ca 0.01 -0.08 -0.17 0.00 0.02 0.00 0.00 54.13 53.91 2wle s LEU 146 Cb -0.17 -2.38 0.27 0.00 0.02 0.00 0.00 46.19 43.93 2wle s LEU 146 CO -0.03 -0.31 0.64 0.61 0.02 0.00 0.00 176.35 177.28 2wle n GLY 147 N 4.88 -3.75 3.77 -3.19 0.00 0.56 -1.56 105.19 105.90 2wle n GLY 147 Ca -0.09 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 2wle n GLY 147 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wle s ARG 148 N -4.52 4.03 -1.31 1.61 1.81 -1.26 -3.67 118.95 115.63 2wle s ARG 148 Ca 0.48 2.46 -0.01 0.00 -1.72 0.00 0.00 55.73 56.94 2wle s ARG 148 Cb -0.08 -2.89 0.01 0.00 -0.45 0.00 0.00 34.95 31.54 2wle s ARG 148 CO 0.40 -0.56 0.78 0.09 -0.68 0.00 0.00 175.30 175.33 2wle n ASN 149 N 0.32 -1.70 -4.87 0.23 3.02 -0.28 -0.29 115.26 111.69 2wle n ASN 149 Ca 0.02 -0.78 -0.36 0.00 -0.03 0.00 0.00 54.58 53.43 2wle n ASN 149 Cb 0.40 -4.25 -0.06 0.00 -0.61 0.00 0.00 39.78 35.27 2wle n ASN 149 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wle s VAL 150 N -3.58 5.24 -0.15 2.41 1.01 -1.24 -2.84 120.40 121.25 2wle s VAL 150 Ca 0.07 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.48 2wle s VAL 150 Cb -0.03 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.78 2wle s VAL 150 CO 0.80 0.48 -0.21 -0.89 0.00 0.00 0.00 175.10 175.28 2wle s THR 151 N -1.19 2.12 -0.25 3.92 2.01 -0.69 -0.67 115.64 120.88 2wle s THR 151 Ca 0.24 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 2wle s THR 151 Cb -0.14 -1.86 0.03 0.00 0.01 0.00 0.00 72.50 70.54 2wle s THR 151 CO 0.13 0.54 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.92 2wle s ILE 152 N 0.92 2.92 0.65 1.82 -1.09 0.13 -0.71 121.20 125.84 2wle s ILE 152 Ca -0.04 -1.04 0.04 0.00 -2.23 0.00 0.00 60.65 57.38 2wle s ILE 152 Cb -0.15 -2.50 0.12 0.00 -1.58 0.00 0.00 42.46 38.35 2wle s ILE 152 CO -0.04 0.17 0.90 0.18 -1.23 0.00 0.00 174.94 174.92 2wle n LEU 153 N 4.67 0.00 -4.71 2.97 4.77 -0.54 -1.54 117.00 122.62 2wle n LEU 153 Ca -0.16 -2.24 -0.38 0.00 -0.03 0.00 0.00 56.01 53.20 2wle n LEU 153 Cb 0.47 -0.54 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2wle n LEU 153 CO 0.27 -0.86 0.88 2.29 -1.33 0.00 0.00 177.39 178.64 2wle n LYS 154 N -2.57 1.44 -0.36 3.23 2.85 -0.88 -2.95 118.16 118.92 2wle n LYS 154 Ca 0.16 0.54 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 2wle n LYS 154 Cb 0.58 -2.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.48 2wle n LYS 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wle n GLY 155 N 0.89 2.03 3.70 2.58 0.00 -0.43 -4.86 105.19 109.10 2wle n GLY 155 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2wle n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wle s VAL 156 N -3.27 4.80 -0.25 1.61 1.01 -1.15 -4.66 120.40 118.49 2wle s VAL 156 Ca 0.00 2.02 -0.04 0.00 0.00 0.00 0.00 61.98 63.96 2wle s VAL 156 Cb 0.00 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.09 2wle s VAL 156 CO 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 175.10 175.19 2wle s ILE 158 N 1.42 3.29 0.98 0.00 1.01 0.28 -1.62 121.20 126.56 2wle s ILE 158 Ca 0.03 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 2wle s ILE 158 Cb -0.16 -2.44 0.18 0.00 0.01 0.00 0.00 42.46 40.05 2wle s ILE 158 CO -0.03 0.48 1.08 -2.84 0.00 0.00 0.00 174.94 173.64 2wle s PRO 159 N 0.79 0.56 0.55 2.79 0.02 -1.26 -1.14 135.00 137.31 2wle s PRO 159 Ca -0.03 0.98 -0.22 0.00 0.02 0.00 0.00 61.00 61.75 2wle s PRO 159 Cb -0.15 -1.72 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 2wle s PRO 159 CO 0.01 -2.76 1.35 -0.80 -0.33 0.00 0.00 177.00 174.47 2wle s ASN 160 N -3.01 5.28 -1.12 2.53 0.01 -1.26 -4.00 114.94 113.38 2wle s ASN 160 Ca 0.66 2.74 -0.03 0.00 -0.71 0.00 0.00 52.86 55.52 2wle s ASN 160 Cb -0.21 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.78 2wle s ASN 160 CO 0.59 -1.56 0.96 -3.20 -1.51 0.00 0.00 177.10 172.38 2wle n ASN 161 N -1.03 -4.46 -4.27 -1.22 5.15 -0.58 -2.40 115.26 106.45 2wle n ASN 161 Ca 0.10 -0.67 -0.26 0.00 -0.60 0.00 0.00 54.58 53.15 2wle n ASN 161 Cb 0.45 -5.17 -0.14 0.00 -0.53 0.00 0.00 39.78 34.40 2wle n ASN 161 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wle s VAL 162 N -3.38 1.75 -0.16 3.44 1.01 -1.19 -1.50 120.40 120.36 2wle s VAL 162 Ca 0.24 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 2wle s VAL 162 Cb -0.03 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2wle s VAL 162 CO 0.74 0.21 -0.06 -0.69 0.00 0.00 0.00 175.10 175.30 2wle s VAL 163 N -0.82 3.60 -0.30 2.92 1.01 -0.52 -0.72 120.40 125.57 2wle s VAL 163 Ca 0.08 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 2wle s VAL 163 Cb -0.09 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2wle s VAL 163 CO 0.02 0.48 0.18 -0.69 0.00 0.00 0.00 175.10 175.09 2wle s VAL 164 N 0.59 5.00 0.75 2.92 1.01 0.80 -0.94 120.40 130.53 2wle s VAL 164 Ca -0.04 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 2wle s VAL 164 Cb -0.15 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.83 2wle s VAL 164 CO 0.03 0.16 1.23 -0.83 0.00 0.00 0.00 175.10 175.70 2wle s GLY 165 N 1.70 2.39 0.50 4.51 0.00 -0.05 -0.32 107.32 116.05 2wle s GLY 165 Ca 0.06 0.96 -0.22 0.00 0.00 0.00 0.00 44.72 45.52 2wle s GLY 165 CO 0.09 1.39 1.28 -1.35 0.00 0.00 0.00 173.10 174.50 2wle s SER 166 N -1.91 5.69 -0.05 1.64 1.04 -1.26 -2.55 113.70 116.29 2wle s SER 166 Ca 0.76 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.77 2wle s SER 166 Cb -0.31 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.18 2wle s SER 166 CO 0.47 -1.27 0.00 1.41 0.98 0.00 0.00 173.24 174.83 2wle n HIS 167 N -0.74 0.00 -2.71 5.02 8.25 0.61 -4.94 115.22 120.71 2wle n HIS 167 Ca 0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.17 2wle n HIS 167 Cb 0.46 -1.23 -0.06 0.00 1.12 0.00 0.00 29.99 30.28 2wle n HIS 167 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wle s THR 168 N -1.44 4.03 -0.20 1.59 2.01 -1.06 -4.89 115.64 115.68 2wle s THR 168 Ca 0.00 1.79 -0.04 0.00 0.31 0.00 0.00 61.69 63.75 2wle s THR 168 Cb 0.00 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2wle s THR 168 CO 0.00 0.24 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.45 2wle s VAL 169 N -1.46 3.59 -0.21 3.82 1.01 -1.26 -1.71 120.40 124.18 2wle s VAL 169 Ca 0.48 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 2wle s VAL 169 Cb -0.22 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2wle s VAL 169 CO 0.28 0.44 0.08 -0.76 0.00 0.00 0.00 175.10 175.14 2wle s LEU 170 N 1.13 3.71 -0.13 3.92 1.43 0.11 -4.44 118.68 124.42 2wle s LEU 170 Ca 0.02 -0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.19 2wle s LEU 170 Cb -0.15 -1.97 -0.15 0.00 0.03 0.00 0.00 46.19 43.96 2wle s LEU 170 CO 0.00 0.08 0.02 -1.22 0.23 0.00 0.00 176.35 175.46 2wle n TYR 171 N 4.13 0.00 -4.28 0.29 4.01 -1.26 -1.46 117.16 118.59 2wle n TYR 171 Ca -0.16 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.38 2wle n TYR 171 Cb 0.52 -0.61 -0.11 0.00 -0.31 0.00 0.00 39.34 38.83 2wle n TYR 171 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2wle s LYS 172 N -2.30 1.11 0.72 -0.72 1.02 -1.26 -4.75 119.74 113.56 2wle s LYS 172 Ca -0.08 -1.28 -0.11 0.00 0.02 0.00 0.00 55.97 54.51 2wle s LYS 172 Cb 0.04 -1.09 0.03 0.00 -0.52 0.00 0.00 37.83 36.28 2wle s LYS 172 CO 0.48 0.22 1.08 -1.12 -0.92 0.00 0.00 175.35 175.09 2wle s SER 173 N -2.46 4.99 0.24 2.83 0.01 -1.26 -4.77 113.70 113.28 2wle s SER 173 Ca 0.11 1.75 0.10 0.00 1.31 0.00 0.00 55.95 59.22 2wle s SER 173 Cb -0.06 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 2wle s SER 173 CO 0.04 -1.70 -0.17 -0.36 0.41 0.00 0.00 173.24 171.45 2wle s PHE 174 N -2.88 2.01 -0.02 2.43 0.40 -0.64 -4.95 117.98 114.32 2wle s PHE 174 Ca 0.60 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 56.56 2wle s PHE 174 Cb -0.16 -0.90 -0.10 0.00 0.51 0.00 0.00 43.02 42.37 2wle s PHE 174 CO 0.53 0.54 0.12 1.63 0.70 0.00 0.00 175.22 178.74 2wle n LYS 175 N -0.48 0.99 -2.75 0.44 5.02 -1.26 -4.26 118.16 115.86 2wle n LYS 175 Ca -0.07 -0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.75 2wle n LYS 175 Cb 0.60 -1.17 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 2wle n LYS 175 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2wle s GLU 176 N -2.39 4.17 0.82 1.97 2.56 -1.26 -4.86 118.70 119.71 2wle s GLU 176 Ca -0.03 1.12 -0.12 0.00 0.00 0.00 0.00 54.97 55.94 2wle s GLU 176 Cb 0.04 -3.67 0.09 0.00 2.00 0.00 0.00 34.13 32.58 2wle s GLU 176 CO 0.28 -0.66 1.12 -1.25 -0.56 0.00 0.00 175.26 174.20 2wle s PRO 177 N 3.16 1.87 -0.91 4.30 0.04 -1.26 -4.50 135.00 137.70 2wle s PRO 177 Ca 0.41 0.44 -0.04 0.00 0.04 0.00 0.00 61.00 61.84 2wle s PRO 177 Cb -0.14 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2wle s PRO 177 CO 0.09 -1.73 0.79 0.09 0.04 0.00 0.00 177.00 176.28 2wle n ASN 178 N -3.47 -4.21 -4.14 6.66 3.02 -0.56 -4.74 115.26 107.82 2wle n ASN 178 Ca 0.07 -0.39 -0.10 0.00 -0.03 0.00 0.00 54.58 54.13 2wle n ASN 178 Cb 0.58 -3.67 -0.09 0.00 -0.61 0.00 0.00 39.78 35.98 2wle n ASN 178 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wle s VAL 180 N -4.07 4.89 -0.10 0.00 1.01 -0.09 -1.43 120.40 120.61 2wle s VAL 180 Ca 0.27 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.28 2wle s VAL 180 Cb 0.07 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2wle s VAL 180 CO 0.05 0.53 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 2wle s ILE 181 N -0.26 1.94 0.33 2.22 1.01 -0.12 -0.28 121.20 126.03 2wle s ILE 181 Ca 0.08 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 2wle s ILE 181 Cb -0.12 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.70 2wle s ILE 181 CO 0.01 0.53 0.72 0.00 0.00 0.00 0.00 174.94 176.21 2wle s ALA 182 N 0.38 -0.82 0.00 9.38 0.00 0.05 -0.87 121.76 129.88 2wle s ALA 182 Ca -0.18 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2wle s ALA 182 Cb -0.18 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.74 2wle s ALA 182 CO 0.08 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.26 2wle n GLY 183 N -0.49 -0.50 2.97 0.00 0.00 -1.26 -1.45 105.19 104.45 2wle n GLY 183 Ca -0.06 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 43.95 2wle n GLY 183 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wle s SER 184 N -1.95 1.92 1.13 1.61 0.15 -1.26 -2.47 113.70 112.84 2wle s SER 184 Ca 0.00 -0.30 -0.16 0.00 0.70 0.00 0.00 55.95 56.19 2wle s SER 184 Cb 0.00 -0.82 0.25 0.00 -1.71 0.00 0.00 66.02 63.74 2wle s SER 184 CO 0.00 -0.04 1.09 -2.84 1.20 0.00 0.00 173.24 172.65 2wle s PRO 185 N 1.14 -0.64 0.02 5.44 0.02 -1.26 -5.07 135.00 134.65 2wle s PRO 185 Ca -0.06 0.24 -0.30 0.00 0.02 0.00 0.00 61.00 60.90 2wle s PRO 185 Cb -0.14 -1.64 -0.06 0.00 0.02 0.00 0.00 34.50 32.68 2wle s PRO 185 CO -0.02 -3.39 1.36 0.00 -0.33 0.00 0.00 177.00 174.62 2wle s ALA 186 N -2.91 3.56 0.08 -1.55 0.00 -1.03 -4.92 121.76 114.98 2wle s ALA 186 Ca 0.68 0.90 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 2wle s ALA 186 Cb -0.15 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 2wle s ALA 186 CO 0.57 -0.79 0.14 -1.59 0.00 0.00 0.00 175.76 174.09 2wle s LYS 187 N 2.00 0.78 0.05 0.00 -2.85 -0.53 -4.93 119.74 114.26 2wle s LYS 187 Ca 0.63 -1.01 -0.31 0.00 -1.00 0.00 0.00 55.97 54.28 2wle s LYS 187 Cb -0.32 0.31 -0.07 0.00 -2.06 0.00 0.00 37.83 35.69 2wle s LYS 187 CO 0.27 -0.23 1.58 0.42 0.10 0.00 0.00 175.35 177.49 2wle s ILE 188 N -3.84 3.24 -0.12 3.79 1.01 -1.26 -0.77 121.20 123.25 2wle s ILE 188 Ca 0.05 0.67 0.03 0.00 0.00 0.00 0.00 60.65 61.40 2wle s ILE 188 Cb 0.05 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2wle s ILE 188 CO -0.11 -0.00 0.12 0.55 0.00 0.00 0.00 174.94 175.50 2wle n VAL 189 N 4.71 0.00 -3.64 2.92 3.14 0.61 -4.92 118.33 121.15 2wle n VAL 189 Ca 0.15 -0.38 -0.05 0.00 -2.96 0.00 0.00 64.34 61.10 2wle n VAL 189 Cb 0.41 0.91 -0.06 0.00 -1.06 0.00 0.00 33.84 34.05 2wle n VAL 189 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2wle s LYS 190 N -1.43 0.66 0.32 1.45 2.47 -1.17 -4.98 119.74 117.05 2wle s LYS 190 Ca 0.01 1.23 0.07 0.00 -1.56 0.00 0.00 55.97 55.72 2wle s LYS 190 Cb 0.02 0.28 -0.03 0.00 -1.46 0.00 0.00 37.83 36.65 2wle s LYS 190 CO 0.13 -0.15 0.30 -1.21 0.16 0.00 0.00 175.35 174.57 2wle s GLU 191 N 1.88 2.84 -0.99 4.03 2.02 -1.26 -0.91 118.70 126.31 2wle s GLU 191 Ca -0.09 -1.19 -0.03 0.00 0.02 0.00 0.00 54.97 53.68 2wle s GLU 191 Cb -0.06 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 2wle s GLU 191 CO -0.19 0.16 0.84 0.09 0.02 0.00 0.00 175.26 176.18 2wle n ASN 192 N -1.38 -4.27 -4.40 -0.19 4.13 -0.57 -4.95 115.26 103.64 2wle n ASN 192 Ca -0.03 -0.59 -0.22 0.00 1.68 0.00 0.00 54.58 55.42 2wle n ASN 192 Cb 0.59 -4.63 -0.10 0.00 -1.54 0.00 0.00 39.78 34.10 2wle n ASN 192 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2wle s ILE 193 N -3.33 1.04 -0.13 2.41 -5.25 0.15 -5.03 121.20 111.06 2wle s ILE 193 Ca 0.22 -2.00 -0.10 0.00 -0.99 0.00 0.00 60.65 57.78 2wle s ILE 193 Cb -0.03 -2.71 0.04 0.00 2.95 0.00 0.00 42.46 42.71 2wle s ILE 193 CO 0.65 0.00 0.34 0.54 -1.79 0.00 0.00 174.94 174.68 2wle s VAL 194 N -3.32 -0.01 0.30 8.37 0.11 -1.26 -4.46 120.40 120.12 2wle s VAL 194 Ca 0.34 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.50 2wle s VAL 194 Cb 0.08 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 2wle s VAL 194 CO 0.15 0.02 0.37 -1.66 -3.33 0.00 0.00 175.10 170.65 2wle s TRP 195 N 0.64 3.16 0.25 1.54 1.48 -1.26 -5.10 118.94 119.64 2wle s TRP 195 Ca -0.04 -0.17 0.01 0.00 -1.06 0.00 0.00 56.10 54.84 2wle s TRP 195 Cb -0.05 -1.76 -0.05 0.00 -1.16 0.00 0.00 33.47 30.45 2wle s TRP 195 CO -0.04 0.22 0.12 0.20 -4.06 0.00 0.00 176.95 173.39 2wle s GLY 196 N -4.04 1.71 -0.05 3.67 0.00 -1.26 -5.02 107.32 102.33 2wle s GLY 196 Ca 0.40 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.27 2wle s GLY 196 CO 0.29 -1.53 0.65 3.21 0.00 0.00 0.00 173.10 175.71 2wle h ARG 197 N 2.42 0.26 -5.57 2.90 3.08 -2.01 -3.47 114.38 111.99 2wle h ARG 197 Ca -0.37 -0.44 -0.66 0.00 0.07 0.00 0.00 59.98 58.58 2wle h ARG 197 Cb 1.25 0.16 -0.22 0.00 0.08 0.00 0.00 29.97 31.24 2wle h ARG 197 CO 0.57 1.12 -0.70 0.15 -1.07 0.00 0.00 179.97 180.03 2wle s LYS 198 N -2.59 3.31 0.00 0.04 -0.14 -1.26 -5.01 119.74 114.09 2wle s LYS 198 Ca -0.14 -0.58 0.28 0.00 -1.36 0.00 0.00 55.97 54.18 2wle s LYS 198 Cb 0.07 -2.73 1.33 0.00 -1.68 0.00 0.00 37.83 34.81 2wle s LYS 198 CO 0.83 0.37 1.90 0.00 -0.76 0.00 0.00 175.35 177.68 2wle n MET 199 N 3.12 1.39 -1.40 1.68 0.00 -1.26 -4.30 117.12 116.35 2wle n MET 199 Ca -0.18 -0.57 -0.28 0.00 0.00 0.00 0.00 57.70 56.67 2wle n MET 199 Cb 0.53 -1.47 -0.07 0.00 0.00 0.00 0.00 33.22 32.21 2wle n MET 199 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 175.97 178.45 2wle n TYR 200 N -0.30 1.53 -3.41 3.17 0.18 -1.26 -4.71 117.16 112.36 2wle n TYR 200 Ca 0.20 -2.29 -0.17 0.00 1.88 0.00 0.00 57.90 57.52 2wle n TYR 200 Cb 0.24 -1.84 -0.10 0.00 -0.38 0.00 0.00 39.34 37.27 2wle n TYR 200 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 2wle s HIS 201 N 0.26 -0.47 0.27 -3.48 3.76 -1.26 -5.03 115.29 109.33 2wle s HIS 201 Ca 0.63 -0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.52 2wle s HIS 201 Cb 0.27 -0.40 0.57 0.00 1.11 0.00 0.00 32.58 34.13 2wle s HIS 201 CO -0.09 -0.85 1.72 0.66 -0.85 0.00 0.00 174.74 175.34 2wle h SER 202 N 8.26 0.34 -3.31 1.40 4.64 -1.97 -3.43 113.55 119.49 2wle h SER 202 Ca -0.14 0.12 -0.51 0.00 -0.47 0.00 0.00 61.79 60.79 2wle h SER 202 Cb 1.10 0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 2wle h SER 202 CO 0.32 0.09 -0.56 0.42 -0.87 0.00 0.00 176.83 176.23 2wle s THR 203 N -5.96 0.79 -0.23 2.95 -4.23 -1.26 -5.03 115.64 102.66 2wle s THR 203 Ca -0.12 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.67 2wle s THR 203 Cb 0.23 -2.52 0.34 0.00 1.34 0.00 0.00 72.50 71.88 2wle s THR 203 CO 0.77 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.68 2wle h MET 204 N 1.96 0.00 0.00 3.99 -0.00 -1.96 -2.85 114.93 116.07 2wle h MET 204 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.33 2wle h MET 204 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.86 2wle h MET 204 CO 0.61 0.00 0.00 0.66 -0.00 0.00 0.00 176.91 178.18 2wle n TYR 205 N -2.83 0.00 1.11 -0.10 4.02 -1.26 -2.26 117.16 115.85 2wle n TYR 205 Ca 0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.03 2wle n TYR 205 Cb 0.35 -0.36 0.17 0.00 -0.02 0.00 0.00 39.34 39.49 2wle n TYR 205 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2wle n ASP 206 N -1.36 1.59 -4.26 7.72 8.00 -1.07 -4.75 116.55 122.43 2wle n ASP 206 Ca 0.09 -1.25 -0.40 0.00 0.71 0.00 0.00 54.79 53.94 2wle n ASP 206 Cb 0.21 0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.53 2wle n ASP 206 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wle s ASP 207 N -2.48 5.60 0.51 -2.24 -1.08 -0.96 -4.95 116.67 111.07 2wle s ASP 207 Ca 0.21 -1.50 0.18 0.00 -0.52 0.00 0.00 52.55 50.92 2wle s ASP 207 Cb 0.19 -1.97 1.27 0.00 -1.46 0.00 0.00 42.92 40.95 2wle s ASP 207 CO 0.54 -0.52 2.09 1.55 0.52 0.00 0.00 175.17 179.35 2wle h PRO 208 N 8.38 0.06 0.00 4.34 0.13 -1.85 -1.35 132.00 141.70 2wle h PRO 208 Ca -0.22 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2wle h PRO 208 Cb 1.08 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2wle h PRO 208 CO 0.74 0.04 0.00 1.79 -0.23 0.00 0.00 178.00 180.34 2wle h THR 209 N 0.06 0.00 -0.01 1.56 1.35 -1.93 -3.09 112.91 110.85 2wle h THR 209 Ca 0.11 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2wle h THR 209 Cb 0.35 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 2wle h THR 209 CO -0.01 0.00 -0.61 0.18 -0.25 0.00 0.00 175.52 174.83 2wle n LEU 210 N -2.68 1.33 -0.35 3.87 4.77 -0.51 -4.42 117.00 119.02 2wle n LEU 210 Ca 0.00 -0.49 0.09 0.00 -0.03 0.00 0.00 56.01 55.58 2wle n LEU 210 Cb 0.21 -0.05 0.26 0.00 -2.33 0.00 0.00 43.42 41.51 2wle n LEU 210 CO 0.21 0.27 1.21 0.78 -1.33 0.00 0.00 177.39 178.54 2wle h ASN 211 N 1.14 0.86 0.00 -1.43 -0.26 -1.64 -0.92 115.58 113.33 2wle h ASN 211 Ca 0.00 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2wle h ASN 211 Cb 0.60 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 2wle h ASN 211 CO 0.00 0.41 0.00 -1.84 -1.06 0.00 0.00 177.43 174.94 2wle n GLU 212 N -4.68 0.28 -0.19 0.81 0.28 -1.26 -1.47 120.64 114.40 2wle n GLU 212 Ca 0.20 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.26 2wle n GLU 212 Cb 0.42 -1.44 0.16 0.00 1.43 0.00 0.00 31.44 32.01 2wle n GLU 212 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2wle n PHE 213 N -0.94 0.49 -1.91 -1.84 3.01 -0.35 -5.23 117.46 110.68 2wle n PHE 213 Ca 0.06 -0.51 0.00 0.00 1.01 0.00 0.00 57.45 58.00 2wle n PHE 213 Cb 0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 2wle n PHE 213 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25