#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wif n SER 2 N 0.00 -5.46 -4.31 1.61 2.88 -1.26 -5.09 113.62 101.99 1wif n SER 2 Ca 0.00 0.77 -0.17 0.00 -1.33 0.00 0.00 58.87 58.14 1wif n SER 2 Cb 0.00 -2.97 -0.10 0.00 -0.75 0.00 0.00 64.21 60.39 1wif n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wif s SER 3 N -0.27 2.02 0.00 -3.46 0.01 -1.26 -5.15 113.70 105.60 1wif s SER 3 Ca 0.00 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.14 1wif s SER 3 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1wif s SER 3 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1wif n GLY 4 N -0.35 1.75 3.64 3.44 0.00 -1.26 -5.18 105.19 107.23 1wif n GLY 4 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1wif n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wif s SER 5 N 0.93 -0.08 0.00 1.61 1.04 -1.26 -5.19 113.70 110.75 1wif s SER 5 Ca 0.00 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1wif s SER 5 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1wif s SER 5 CO 0.00 -0.04 0.00 -1.20 0.98 0.00 0.00 173.24 172.98 1wif n SER 6 N 1.25 0.00 -0.72 7.02 7.64 -1.26 -5.16 113.62 122.39 1wif n SER 6 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1wif n SER 6 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1wif n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wif n GLY 7 N -0.41 -3.01 2.93 0.23 0.00 -1.26 -4.94 105.19 98.73 1wif n GLY 7 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 1wif n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wif n SER 8 N 0.00 -3.13 -1.03 1.61 2.88 -1.25 -4.79 113.62 107.91 1wif n SER 8 Ca 0.00 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1wif n SER 8 Cb 0.00 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1wif n SER 8 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wif n LYS 9 N -1.62 -1.84 -2.73 -1.46 0.00 -1.26 -4.77 118.16 104.49 1wif n LYS 9 Ca 0.07 1.64 -0.15 0.00 0.00 0.00 0.00 58.31 59.86 1wif n LYS 9 Cb 0.31 -1.42 0.02 0.00 0.00 0.00 0.00 35.03 33.94 1wif n LYS 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1wif n ASN 10 N 0.63 -4.72 0.00 3.14 2.85 -1.26 -4.85 115.26 111.05 1wif n ASN 10 Ca 0.00 -0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1wif n ASN 10 Cb 0.00 -3.61 0.00 0.00 1.24 0.00 0.00 39.78 37.41 1wif n ASN 10 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1wif n GLU 11 N -2.96 0.00 -1.45 1.20 0.28 -1.26 -5.08 120.64 111.37 1wif n GLU 11 Ca -0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.77 1wif n GLU 11 Cb 0.59 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.34 1wif n GLU 11 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1wif n LYS 12 N 0.00 0.21 0.04 3.44 2.85 -1.26 -3.36 118.16 120.08 1wif n LYS 12 Ca 0.00 -0.62 0.00 0.00 -1.05 0.00 0.00 58.31 56.64 1wif n LYS 12 Cb 0.00 -2.50 0.00 0.00 -0.65 0.00 0.00 35.03 31.88 1wif n LYS 12 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1wif n GLU 13 N 6.98 0.00 -4.74 -1.58 1.02 -1.26 -5.14 120.64 115.92 1wif n GLU 13 Ca 0.44 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.25 1wif n GLU 13 Cb 0.36 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.66 1wif n GLU 13 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1wif s GLN 14 N -1.36 2.59 0.28 3.49 -2.07 -1.21 -5.13 119.66 116.25 1wif s GLN 14 Ca 0.00 -0.65 0.09 0.00 -1.82 0.00 0.00 55.36 52.99 1wif s GLN 14 Cb 0.00 -2.47 -0.04 0.00 -1.09 0.00 0.00 33.01 29.41 1wif s GLN 14 CO 0.00 0.64 0.00 -0.51 -1.32 0.00 0.00 175.29 174.10 1wif s LEU 15 N -0.85 3.15 0.86 2.60 2.01 -1.26 -3.92 118.68 121.27 1wif s LEU 15 Ca 0.12 -0.72 -0.17 0.00 0.01 0.00 0.00 54.13 53.38 1wif s LEU 15 Cb -0.11 -1.65 -0.15 0.00 0.01 0.00 0.00 46.19 44.30 1wif s LEU 15 CO 0.02 -0.06 -0.63 -1.54 1.01 0.00 0.00 176.35 175.15 1wif n SER 16 N -0.92 -5.34 -4.53 2.29 3.41 -1.26 -4.84 113.62 102.43 1wif n SER 16 Ca -0.06 0.28 -0.29 0.00 -0.26 0.00 0.00 58.87 58.55 1wif n SER 16 Cb 0.60 -0.76 0.23 0.00 -0.26 0.00 0.00 64.21 64.02 1wif n SER 16 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1wif s LYS 17 N -1.72 -0.50 -0.48 4.33 2.47 -1.26 -5.03 119.74 117.56 1wif s LYS 17 Ca 0.43 1.02 0.07 0.00 -1.56 0.00 0.00 55.97 55.92 1wif s LYS 17 Cb -0.25 -1.59 0.19 0.00 -1.46 0.00 0.00 37.83 34.72 1wif s LYS 17 CO 0.77 -3.49 0.71 0.00 0.16 0.00 0.00 175.35 173.49 1wif s ALA 18 N -2.50 -2.28 0.36 3.13 0.00 -1.26 -5.16 121.76 114.05 1wif s ALA 18 Ca 0.68 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.56 1wif s ALA 18 Cb -0.25 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1wif s ALA 18 CO 0.63 -2.24 0.14 -1.59 0.00 0.00 0.00 175.76 172.70 1wif s LYS 19 N 1.21 2.28 0.29 0.00 0.00 -1.26 -5.15 119.74 117.12 1wif s LYS 19 Ca 0.25 -1.67 0.10 0.00 0.00 0.00 0.00 55.97 54.65 1wif s LYS 19 Cb -0.01 -2.08 -0.05 0.00 0.00 0.00 0.00 37.83 35.69 1wif s LYS 19 CO -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 175.35 175.31 1wif s ALA 20 N -2.50 3.14 -0.61 0.59 0.00 -1.26 -5.04 121.76 116.09 1wif s ALA 20 Ca 0.39 -1.78 -0.03 0.00 0.00 0.00 0.00 51.96 50.54 1wif s ALA 20 Cb -0.00 -0.59 0.25 0.00 0.00 0.00 0.00 23.12 22.78 1wif s ALA 20 CO 0.22 0.20 2.30 0.45 0.00 0.00 0.00 175.76 178.93 1wif n SER 21 N -0.89 7.05 -4.76 0.00 2.88 -1.26 -4.99 113.62 111.65 1wif n SER 21 Ca -0.05 -3.51 -0.33 0.00 -1.33 0.00 0.00 58.87 53.65 1wif n SER 21 Cb 0.60 -1.11 0.07 0.00 -0.75 0.00 0.00 64.21 63.02 1wif n SER 21 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1wif s VAL 22 N -3.67 3.03 0.00 2.46 1.01 -1.26 -4.93 120.40 117.04 1wif s VAL 22 Ca 0.54 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1wif s VAL 22 Cb 0.41 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1wif s VAL 22 CO -0.23 -0.32 0.00 -0.24 0.00 0.00 0.00 175.10 174.31 1wif n SER 23 N -2.74 0.00 -2.44 3.32 2.88 -1.26 -5.09 113.62 108.29 1wif n SER 23 Ca 0.11 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.63 1wif n SER 23 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 1wif n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wif n SER 24 N 0.00 -6.82 -4.21 -3.46 2.88 -1.26 -4.93 113.62 95.82 1wif n SER 24 Ca 0.00 1.73 -0.41 0.00 -1.33 0.00 0.00 58.87 58.86 1wif n SER 24 Cb 0.00 -5.29 -0.07 0.00 -0.75 0.00 0.00 64.21 58.10 1wif n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wif s LEU 25 N -0.63 5.84 -0.25 2.46 1.43 -1.26 -5.03 118.68 121.25 1wif s LEU 25 Ca -0.09 -2.35 0.02 0.00 -1.03 0.00 0.00 54.13 50.67 1wif s LEU 25 Cb 0.01 -2.02 0.06 0.00 0.03 0.00 0.00 46.19 44.27 1wif s LEU 25 CO 0.25 -0.58 -0.07 0.54 0.23 0.00 0.00 176.35 176.71 1wif s ASN 26 N 2.04 4.16 -0.01 2.29 4.22 -1.26 -5.11 114.94 121.27 1wif s ASN 26 Ca 0.12 -1.33 -0.09 0.00 -2.14 0.00 0.00 52.86 49.42 1wif s ASN 26 Cb -0.21 -1.36 -0.05 0.00 1.28 0.00 0.00 41.25 40.91 1wif s ASN 26 CO -0.03 -0.22 0.30 -0.75 -2.04 0.00 0.00 177.10 174.35 1wif s LYS 27 N 1.24 3.67 0.10 3.55 2.20 -1.26 -5.10 119.74 124.14 1wif s LYS 27 Ca -0.06 0.09 0.10 0.00 -0.36 0.00 0.00 55.97 55.74 1wif s LYS 27 Cb -0.19 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1wif s LYS 27 CO -0.06 0.67 -0.26 0.08 -0.36 0.00 0.00 175.35 175.43 1wif s VAL 28 N -1.20 2.31 -0.10 4.02 1.01 -1.26 -4.51 120.40 120.66 1wif s VAL 28 Ca 0.25 -1.59 -0.14 0.00 0.00 0.00 0.00 61.98 60.49 1wif s VAL 28 Cb -0.14 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1wif s VAL 28 CO 0.13 0.19 0.36 -0.63 0.00 0.00 0.00 175.10 175.14 1wif s ILE 29 N -0.98 5.21 -0.23 2.22 -1.09 0.64 -4.95 121.20 122.02 1wif s ILE 29 Ca 0.14 0.70 -0.08 0.00 -2.23 0.00 0.00 60.65 59.17 1wif s ILE 29 Cb -0.10 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 37.21 1wif s ILE 29 CO 0.05 0.45 0.50 0.00 -1.23 0.00 0.00 174.94 174.71 1wif s GLN 30 N -0.10 0.41 0.04 2.79 -2.07 -1.26 -0.12 119.66 119.36 1wif s GLN 30 Ca 0.21 1.18 -0.06 0.00 -1.82 0.00 0.00 55.36 54.87 1wif s GLN 30 Cb -0.14 0.52 -0.01 0.00 -1.09 0.00 0.00 33.01 32.28 1wif s GLN 30 CO 0.08 -0.23 0.11 -0.08 -1.32 0.00 0.00 175.29 173.85 1wif s THR 31 N 2.69 0.13 -0.39 3.63 -1.32 -1.19 -4.97 115.64 114.22 1wif s THR 31 Ca -0.03 -1.08 -0.17 0.00 -1.21 0.00 0.00 61.69 59.20 1wif s THR 31 Cb -0.12 -0.90 0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1wif s THR 31 CO -0.15 -0.59 0.46 -0.54 -2.21 0.00 0.00 174.62 171.59 1wif s LYS 32 N -2.62 3.33 -0.06 7.08 3.01 -1.26 -2.65 119.74 126.58 1wif s LYS 32 Ca -0.05 -0.52 -0.18 0.00 -1.01 0.00 0.00 55.97 54.21 1wif s LYS 32 Cb -0.01 -3.90 -0.05 0.00 -1.01 0.00 0.00 37.83 32.87 1wif s LYS 32 CO -0.05 -0.75 0.50 -0.51 0.51 0.00 0.00 175.35 175.05 1wif s LEU 33 N 2.24 4.36 -0.83 3.17 1.43 -1.22 -4.90 118.68 122.92 1wif s LEU 33 Ca 0.14 0.95 -0.19 0.00 -1.03 0.00 0.00 54.13 54.00 1wif s LEU 33 Cb -0.16 -2.74 0.12 0.00 0.03 0.00 0.00 46.19 43.43 1wif s LEU 33 CO 0.14 0.09 1.02 -0.89 0.23 0.00 0.00 176.35 176.94 1wif s THR 34 N 0.07 4.71 0.21 5.49 2.01 -1.26 -3.94 115.64 122.93 1wif s THR 34 Ca 0.27 -1.31 -0.30 0.00 0.31 0.00 0.00 61.69 60.66 1wif s THR 34 Cb -0.16 -4.71 -0.16 0.00 0.01 0.00 0.00 72.50 67.48 1wif s THR 34 CO 0.13 -1.43 0.87 0.52 -0.69 0.00 0.00 174.62 174.02 1wif n VAL 35 N 5.50 1.63 -3.68 3.82 0.31 -1.22 -4.65 118.33 120.04 1wif n VAL 35 Ca 0.14 -0.41 -0.25 0.00 -0.01 0.00 0.00 64.34 63.81 1wif n VAL 35 Cb 0.47 -0.54 0.01 0.00 -0.91 0.00 0.00 33.84 32.88 1wif n VAL 35 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1wif s GLY 36 N -0.56 2.22 0.33 2.92 0.00 -1.26 -0.47 107.32 110.49 1wif s GLY 36 Ca 0.66 -1.44 0.12 0.00 0.00 0.00 0.00 44.72 44.06 1wif s GLY 36 CO 0.57 -1.89 1.70 3.43 0.00 0.00 0.00 173.10 176.90 1wif h ASN 37 N 0.57 0.60 0.21 1.64 2.35 -1.94 0.72 115.58 119.73 1wif h ASN 37 Ca -0.34 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1wif h ASN 37 Cb 1.30 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1wif h ASN 37 CO 0.53 -0.02 -0.75 0.18 -1.65 0.00 0.00 177.43 175.72 1wif n LEU 38 N -4.97 0.83 -1.33 1.61 4.77 -1.26 -4.94 117.00 111.71 1wif n LEU 38 Ca 0.29 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wif n LEU 38 Cb 0.87 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1wif n LEU 38 CO 0.13 0.20 -0.38 0.61 -1.33 0.00 0.00 177.39 176.61 1wif n GLY 39 N 1.49 -4.29 3.41 -0.72 0.00 0.25 -4.60 105.19 100.73 1wif n GLY 39 Ca 0.05 -0.80 -0.49 0.00 0.00 0.00 0.00 46.02 44.78 1wif n GLY 39 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wif n LEU 40 N -1.17 1.05 -1.31 0.99 -0.00 -1.26 -4.76 117.00 110.54 1wif n LEU 40 Ca 0.00 0.32 0.07 0.00 -0.00 0.00 0.00 56.01 56.40 1wif n LEU 40 Cb 0.07 -1.06 0.28 0.00 -0.00 0.00 0.00 43.42 42.71 1wif n LEU 40 CO 0.00 -0.83 0.72 0.61 -0.00 0.00 0.00 177.39 177.89 1wif n GLY 41 N 6.78 2.15 0.30 1.47 0.00 -1.26 -4.99 105.19 109.64 1wif n GLY 41 Ca 0.54 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1wif n GLY 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wif n LEU 42 N 0.80 0.01 -4.56 0.99 -0.00 -1.26 -4.56 117.00 108.40 1wif n LEU 42 Ca 0.20 0.10 -0.43 0.00 -0.00 0.00 0.00 56.01 55.88 1wif n LEU 42 Cb 0.73 -0.08 -0.01 0.00 -0.00 0.00 0.00 43.42 44.07 1wif n LEU 42 CO 0.19 -0.16 1.81 -0.69 -0.00 0.00 0.00 177.39 178.54 1wif s VAL 43 N 0.01 4.18 0.70 1.47 1.01 0.65 -4.85 120.40 123.57 1wif s VAL 43 Ca 0.08 -1.76 -0.11 0.00 0.00 0.00 0.00 61.98 60.19 1wif s VAL 43 Cb -0.11 -5.14 0.02 0.00 0.00 0.00 0.00 36.38 31.15 1wif s VAL 43 CO 0.05 -1.97 1.08 -0.69 0.00 0.00 0.00 175.10 173.57 1wif s VAL 44 N 4.11 3.44 0.03 2.92 1.01 -1.26 -1.12 120.40 129.53 1wif s VAL 44 Ca 0.51 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 1wif s VAL 44 Cb 0.02 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1wif s VAL 44 CO 0.04 -0.58 -0.02 0.27 0.00 0.00 0.00 175.10 174.81 1wif s ILE 45 N -3.32 0.16 -1.01 2.22 -4.36 -1.15 -4.75 121.20 108.99 1wif s ILE 45 Ca 0.58 -1.29 -0.22 0.00 -0.26 0.00 0.00 60.65 59.46 1wif s ILE 45 Cb -0.11 -0.82 0.07 0.00 1.25 0.00 0.00 42.46 42.85 1wif s ILE 45 CO 0.51 -0.71 1.39 -1.58 0.24 0.00 0.00 174.94 174.79 1wif s GLN 46 N -2.54 3.60 -0.34 0.37 -0.44 -1.26 -3.59 119.66 115.46 1wif s GLN 46 Ca -0.06 -1.28 0.02 0.00 -2.50 0.00 0.00 55.36 51.55 1wif s GLN 46 Cb -0.02 -5.27 0.10 0.00 -1.64 0.00 0.00 33.01 26.17 1wif s GLN 46 CO -0.05 -2.12 0.06 1.21 0.50 0.00 0.00 175.29 174.89 1wif s ASN 47 N 4.68 4.83 0.23 6.67 2.47 -1.24 -5.05 114.94 127.52 1wif s ASN 47 Ca 0.43 -2.01 0.00 0.00 0.42 0.00 0.00 52.86 51.70 1wif s ASN 47 Cb -0.01 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 1wif s ASN 47 CO -0.09 -0.39 0.00 0.61 -3.72 0.00 0.00 177.10 173.51 1wif n GLY 48 N 4.35 -1.75 0.00 1.21 0.00 -1.26 -3.75 105.19 103.99 1wif n GLY 48 Ca 0.00 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.77 1wif n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wif n PRO 49 N -0.43 0.49 -3.55 1.61 -0.04 -1.26 -4.75 135.00 127.07 1wif n PRO 49 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1wif n PRO 49 Cb 0.00 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.98 1wif n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wif n TYR 50 N -0.93 0.28 -4.83 0.54 4.01 -1.25 -4.42 117.16 110.56 1wif n TYR 50 Ca 0.10 -1.61 -0.31 0.00 -0.16 0.00 0.00 57.90 55.92 1wif n TYR 50 Cb 0.05 -0.07 -0.14 0.00 -0.31 0.00 0.00 39.34 38.88 1wif n TYR 50 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wif s LEU 51 N 0.00 2.48 -0.12 7.72 1.43 -1.26 -3.73 118.68 125.19 1wif s LEU 51 Ca 0.09 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1wif s LEU 51 Cb 0.00 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.80 1wif s LEU 51 CO 0.06 0.28 -0.02 -1.10 0.23 0.00 0.00 176.35 175.80 1wif s GLN 52 N -1.18 1.03 -0.91 1.70 -0.21 -1.24 -3.75 119.66 115.11 1wif s GLN 52 Ca 0.13 -0.21 -0.25 0.00 0.02 0.00 0.00 55.36 55.06 1wif s GLN 52 Cb -0.10 -1.54 -0.19 0.00 1.00 0.00 0.00 33.01 32.17 1wif s GLN 52 CO 0.03 -0.38 2.18 -0.89 -2.12 0.00 0.00 175.29 174.12 1wif n ILE 53 N 5.02 0.00 -0.11 1.08 5.41 -1.16 -2.91 119.36 126.69 1wif n ILE 53 Ca -0.10 -0.24 0.21 0.00 1.00 0.00 0.00 62.75 63.62 1wif n ILE 53 Cb 0.49 -1.82 0.62 0.00 -0.71 0.00 0.00 39.64 38.23 1wif n ILE 53 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1wif h SER 54 N 11.93 0.16 -4.54 4.38 0.87 -1.71 0.46 113.55 125.10 1wif h SER 54 Ca 0.00 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.65 1wif h SER 54 Cb 1.01 -0.02 -0.18 0.00 -0.44 0.00 0.00 62.40 62.77 1wif h SER 54 CO 1.02 0.08 0.46 -2.28 -0.53 0.00 0.00 176.83 175.58 1wif s HIS 55 N -5.17 -0.40 -0.09 2.24 5.65 -0.28 -4.77 115.29 112.47 1wif s HIS 55 Ca -0.06 0.44 -0.00 0.00 0.25 0.00 0.00 55.06 55.69 1wif s HIS 55 Cb 0.21 0.50 -0.03 0.00 -1.18 0.00 0.00 32.58 32.08 1wif s HIS 55 CO 0.76 -0.51 -0.08 -0.51 -0.65 0.00 0.00 174.74 173.75 1wif s LEU 56 N -1.94 3.09 -0.35 8.88 1.43 -1.26 0.24 118.68 128.77 1wif s LEU 56 Ca 0.01 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 1wif s LEU 56 Cb -0.01 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1wif s LEU 56 CO -0.04 0.29 1.63 -0.63 0.23 0.00 0.00 176.35 177.83 1wif s ILE 57 N -0.38 3.66 0.29 -0.59 1.09 -1.26 -4.80 121.20 119.20 1wif s ILE 57 Ca 0.05 0.68 -0.01 0.00 -1.10 0.00 0.00 60.65 60.27 1wif s ILE 57 Cb -0.12 -3.86 0.37 0.00 -1.06 0.00 0.00 42.46 37.79 1wif s ILE 57 CO 0.02 -0.53 1.59 -1.13 -0.10 0.00 0.00 174.94 174.80 1wif h ASN 58 N 11.83 -0.43 0.00 3.58 -1.24 -1.97 0.37 115.58 127.71 1wif h ASN 58 Ca -0.31 0.25 -0.07 0.00 0.71 0.00 0.00 56.30 56.88 1wif h ASN 58 Cb 1.14 0.44 -0.03 0.00 0.73 0.00 0.00 38.32 40.61 1wif h ASN 58 CO 1.05 -0.29 -0.14 0.29 -1.29 0.00 0.00 177.43 177.05 1wif n LYS 59 N -5.44 1.35 -1.05 6.67 5.02 -1.26 -4.66 118.16 118.79 1wif n LYS 59 Ca 0.20 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1wif n LYS 59 Cb 0.66 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1wif n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wif n GLY 60 N 1.87 4.41 0.07 0.72 0.00 0.13 -4.82 105.19 107.57 1wif n GLY 60 Ca 0.16 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 1wif n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wif h ALA 61 N 1.07 0.00 -1.26 4.61 0.00 -1.82 -3.33 119.26 118.52 1wif h ALA 61 Ca 0.00 -0.50 0.40 0.00 0.00 0.00 0.00 54.91 54.82 1wif h ALA 61 Cb 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 1wif h ALA 61 CO 0.00 0.50 0.81 0.00 0.00 0.00 0.00 179.25 180.56 1wif h ALA 62 N -1.00 2.63 -0.53 0.00 0.00 -1.89 0.85 119.26 119.31 1wif h ALA 62 Ca -0.00 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1wif h ALA 62 Cb 0.50 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1wif h ALA 62 CO -0.00 -1.22 0.08 0.00 0.00 0.00 0.00 179.25 178.11 1wif h ALA 63 N 1.61 0.71 -0.00 0.00 0.00 -1.74 -2.41 119.26 117.42 1wif h ALA 63 Ca 0.78 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1wif h ALA 63 Cb 2.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1wif h ALA 63 CO -0.40 0.45 -0.08 0.45 0.00 0.00 0.00 179.25 179.67 1wif n SER 64 N -4.37 0.32 -4.36 0.00 2.88 0.27 -4.65 113.62 103.71 1wif n SER 64 Ca 0.02 -0.45 -0.45 0.00 -1.33 0.00 0.00 58.87 56.66 1wif n SER 64 Cb 0.26 -0.13 -0.06 0.00 -0.75 0.00 0.00 64.21 63.53 1wif n SER 64 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wif s ASP 65 N -2.50 6.18 0.38 -3.46 -1.08 0.25 -4.91 116.67 111.53 1wif s ASP 65 Ca 0.29 -1.47 0.27 0.00 -0.52 0.00 0.00 52.55 51.12 1wif s ASP 65 Cb 0.20 -2.22 1.29 0.00 -1.46 0.00 0.00 42.92 40.73 1wif s ASP 65 CO 0.47 -0.83 1.82 1.23 0.52 0.00 0.00 175.17 178.38 1wif h GLY 66 N 9.11 0.00 1.43 2.66 0.00 -1.82 -2.52 103.07 111.92 1wif h GLY 66 Ca -0.29 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 1wif h GLY 66 CO 0.99 0.00 -0.32 -2.22 0.00 0.00 0.00 176.54 174.99 1wif h ILE 67 N 0.00 1.28 -3.64 2.60 5.03 -1.91 -3.41 117.51 117.46 1wif h ILE 67 Ca 0.00 -1.44 -0.64 0.00 -0.12 0.00 0.00 64.86 62.66 1wif h ILE 67 Cb 0.23 1.39 -0.20 0.00 -3.03 0.00 0.00 36.82 35.21 1wif h ILE 67 CO 0.00 0.47 -0.58 -0.76 -0.68 0.00 0.00 178.15 176.59 1wif s LEU 68 N -8.69 3.68 0.23 1.44 1.43 -0.95 -4.97 118.68 110.85 1wif s LEU 68 Ca -0.08 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1wif s LEU 68 Cb 0.13 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1wif s LEU 68 CO 0.83 0.00 0.12 -1.10 0.23 0.00 0.00 176.35 176.43 1wif s GLN 69 N 1.40 2.73 -1.05 1.70 1.11 -1.26 -4.82 119.66 119.46 1wif s GLN 69 Ca 0.06 -1.10 -0.24 0.00 0.01 0.00 0.00 55.36 54.09 1wif s GLN 69 Cb -0.15 -2.47 -0.07 0.00 -1.01 0.00 0.00 33.01 29.31 1wif s GLN 69 CO 0.05 0.41 1.94 -1.25 0.01 0.00 0.00 175.29 176.45 1wif s PRO 70 N -3.58 2.53 0.00 2.91 0.04 -1.26 -3.38 135.00 132.27 1wif s PRO 70 Ca 0.32 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.60 1wif s PRO 70 Cb -0.08 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1wif s PRO 70 CO 0.23 -3.69 0.00 0.41 0.04 0.00 0.00 177.00 173.99 1wif n GLY 71 N 6.31 0.00 3.79 0.56 0.00 0.16 -4.63 105.19 111.38 1wif n GLY 71 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 1wif n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wif s ASP 72 N 0.00 5.49 -0.57 1.61 1.01 -1.22 -4.77 116.67 118.23 1wif s ASP 72 Ca 0.00 -0.14 -0.11 0.00 0.71 0.00 0.00 52.55 53.00 1wif s ASP 72 Cb 0.00 -1.42 0.14 0.00 1.01 0.00 0.00 42.92 42.65 1wif s ASP 72 CO 0.00 0.07 0.47 -0.69 0.21 0.00 0.00 175.17 175.23 1wif s VAL 73 N -1.77 4.70 0.39 -1.27 1.01 -1.25 -2.99 120.40 119.22 1wif s VAL 73 Ca 0.31 -1.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.09 1wif s VAL 73 Cb -0.10 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1wif s VAL 73 CO 0.23 -0.86 1.44 -0.76 0.00 0.00 0.00 175.10 175.15 1wif s LEU 74 N 1.10 4.29 -0.05 3.92 2.01 -1.25 -2.85 118.68 125.85 1wif s LEU 74 Ca 0.08 2.95 0.07 0.00 0.01 0.00 0.00 54.13 57.24 1wif s LEU 74 Cb -0.24 -3.73 0.10 0.00 0.01 0.00 0.00 46.19 42.33 1wif s LEU 74 CO -0.01 -0.89 1.04 -0.38 1.01 0.00 0.00 176.35 177.12 1wif n ILE 75 N 0.35 0.69 0.00 -0.59 -0.00 0.19 -4.08 119.36 115.92 1wif n ILE 75 Ca 0.02 -0.83 0.00 0.00 -0.00 0.00 0.00 62.75 61.94 1wif n ILE 75 Cb 0.40 0.25 0.00 0.00 -0.00 0.00 0.00 39.64 40.29 1wif n ILE 75 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1wif n SER 76 N -0.52 0.00 -4.52 4.38 3.41 -1.26 -4.30 113.62 110.80 1wif n SER 76 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.24 1wif n SER 76 Cb 0.67 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1wif n SER 76 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wif s VAL 77 N 0.00 4.72 -0.38 -3.33 1.01 -1.11 -3.75 120.40 117.57 1wif s VAL 77 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1wif s VAL 77 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1wif s VAL 77 CO 0.00 -0.69 0.32 0.61 0.00 0.00 0.00 175.10 175.33 1wif n GLY 78 N 5.03 0.28 2.93 4.51 0.00 -1.24 -3.01 105.19 113.68 1wif n GLY 78 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 1wif n GLY 78 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wif n HIS 79 N -2.30 -0.00 -3.71 1.61 -0.00 -1.26 -4.90 115.22 104.66 1wif n HIS 79 Ca -0.06 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.75 1wif n HIS 79 Cb 0.54 -2.07 -0.10 0.00 -0.12 0.00 0.00 29.99 28.24 1wif n HIS 79 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wif s ALA 80 N -1.12 3.45 -0.96 1.57 0.00 -1.16 -5.02 121.76 118.52 1wif s ALA 80 Ca 0.00 -2.98 -0.15 0.00 0.00 0.00 0.00 51.96 48.83 1wif s ALA 80 Cb 0.00 -2.62 -0.29 0.00 0.00 0.00 0.00 23.12 20.21 1wif s ALA 80 CO 0.00 -2.00 2.27 -1.71 0.00 0.00 0.00 175.76 174.32 1wif n ASN 81 N 3.95 -0.75 -1.57 0.00 2.85 -1.26 -2.73 115.26 115.75 1wif n ASN 81 Ca 0.04 -0.55 -0.04 0.00 -0.11 0.00 0.00 54.58 53.92 1wif n ASN 81 Cb 0.39 -0.74 0.20 0.00 1.24 0.00 0.00 39.78 40.87 1wif n ASN 81 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1wif n VAL 82 N 6.24 2.06 0.21 3.44 0.24 -1.26 -4.49 118.33 124.77 1wif n VAL 82 Ca 0.65 -1.04 -0.15 0.00 -2.04 0.00 0.00 64.34 61.75 1wif n VAL 82 Cb 0.17 -0.49 -0.07 0.00 -1.47 0.00 0.00 33.84 31.97 1wif n VAL 82 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1wif h LEU 83 N 1.87 -0.73 -2.00 1.34 6.46 -1.78 -2.78 115.31 117.68 1wif h LEU 83 Ca 0.18 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1wif h LEU 83 Cb 1.79 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.96 1wif h LEU 83 CO 0.49 -0.41 0.00 0.61 -0.62 0.00 0.00 178.44 178.51 1wif n GLY 84 N -1.40 1.45 3.73 3.75 0.00 -1.26 -4.40 105.19 107.06 1wif n GLY 84 Ca -0.09 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1wif n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wif s TYR 85 N -1.42 3.08 0.83 1.61 1.51 -1.05 -4.94 117.35 116.97 1wif s TYR 85 Ca 0.38 0.94 -0.12 0.00 -1.01 0.00 0.00 57.07 57.26 1wif s TYR 85 Cb 0.21 -3.81 0.11 0.00 -0.11 0.00 0.00 41.96 38.36 1wif s TYR 85 CO 0.28 -2.74 1.18 0.95 -1.11 0.00 0.00 175.55 174.11 1wif s THR 86 N 0.41 2.06 0.09 -0.71 -4.23 -1.26 -4.48 115.64 107.52 1wif s THR 86 Ca 0.62 -0.08 -0.22 0.00 -1.18 0.00 0.00 61.69 60.83 1wif s THR 86 Cb -0.41 -2.98 -0.13 0.00 1.34 0.00 0.00 72.50 70.32 1wif s THR 86 CO 0.38 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.45 1wif h LEU 87 N -1.12 0.06 -0.73 4.79 6.46 -1.92 0.59 115.31 123.44 1wif h LEU 87 Ca -0.45 -0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.17 1wif h LEU 87 Cb 1.30 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 1wif h LEU 87 CO 0.55 0.06 -0.36 0.08 -0.62 0.00 0.00 178.44 178.15 1wif h ARG 88 N 0.05 0.56 0.00 1.25 0.11 -1.99 -0.04 114.38 114.32 1wif h ARG 88 Ca 0.02 -0.26 -0.12 0.00 0.10 0.00 0.00 59.98 59.71 1wif h ARG 88 Cb 0.01 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 1wif h ARG 88 CO -0.00 0.84 -0.59 0.93 0.10 0.00 0.00 179.97 181.24 1wif h GLU 89 N 0.47 0.00 0.00 0.08 5.08 -1.86 -2.76 114.58 115.59 1wif h GLU 89 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1wif h GLU 89 Cb 0.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1wif h GLU 89 CO 0.07 0.59 -0.05 0.35 -1.00 0.00 0.00 179.01 178.98 1wif h PHE 90 N 0.00 0.00 -0.54 4.33 3.57 0.41 -2.93 116.94 121.78 1wif h PHE 90 Ca -0.01 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.65 1wif h PHE 90 Cb 1.13 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1wif h PHE 90 CO 0.00 0.63 0.39 -0.07 -2.23 0.00 0.00 178.31 177.04 1wif h LEU 91 N -1.00 0.00 0.00 0.59 -0.00 -1.10 0.37 115.31 114.17 1wif h LEU 91 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.81 1wif h LEU 91 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 1wif h LEU 91 CO -0.01 0.00 -0.35 0.07 -0.00 0.00 0.00 178.44 178.15 1wif h LYS 92 N 0.00 0.00 0.22 1.13 5.09 -1.58 -3.19 116.57 118.24 1wif h LYS 92 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.99 1wif h LYS 92 Cb 1.05 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.38 1wif h LYS 92 CO -0.00 0.26 -0.11 1.25 -2.09 0.00 0.00 179.45 178.76 1wif h LEU 93 N 0.00 -0.25 -1.77 7.07 5.85 -0.07 -3.24 115.31 122.90 1wif h LEU 93 Ca -0.01 0.01 0.23 0.00 0.84 0.00 0.00 57.88 58.95 1wif h LEU 93 Cb 1.21 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1wif h LEU 93 CO 0.03 -0.07 0.61 -0.07 -0.34 0.00 0.00 178.44 178.60 1wif h LEU 94 N -0.51 0.19 -2.29 2.25 -0.00 -1.65 0.38 115.31 113.69 1wif h LEU 94 Ca -0.03 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 57.91 1wif h LEU 94 Cb 0.23 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1wif h LEU 94 CO 0.05 0.07 0.16 1.56 -0.00 0.00 0.00 178.44 180.28 1wif h GLN 95 N 0.18 0.00 -0.00 1.13 1.08 -1.58 0.40 115.11 116.33 1wif h GLN 95 Ca 0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 1wif h GLN 95 Cb 1.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 1wif h GLN 95 CO -0.09 0.00 -0.21 0.09 -0.95 0.00 0.00 178.83 177.67 1wif n ASN 96 N -3.78 0.36 -4.79 1.46 3.02 0.13 -4.87 115.26 106.79 1wif n ASN 96 Ca 0.00 -0.14 -0.36 0.00 -0.03 0.00 0.00 54.58 54.06 1wif n ASN 96 Cb 0.27 -0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 1wif n ASN 96 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wif s ILE 97 N -2.82 3.99 0.51 2.41 -1.09 0.14 -5.06 121.20 119.28 1wif s ILE 97 Ca 0.18 1.51 -0.03 0.00 -2.23 0.00 0.00 60.65 60.08 1wif s ILE 97 Cb 0.19 -3.77 -0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1wif s ILE 97 CO 0.57 -0.00 0.78 -0.89 -1.23 0.00 0.00 174.94 174.17 1wif s THR 98 N -1.73 3.95 0.37 2.92 2.01 -1.26 -5.03 115.64 116.86 1wif s THR 98 Ca 0.56 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 62.08 1wif s THR 98 Cb -0.19 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 1wif s THR 98 CO 0.24 -0.44 1.19 -0.63 -0.69 0.00 0.00 174.62 174.29 1wif s ILE 99 N -2.76 3.09 -0.70 1.82 1.01 -1.26 -3.79 121.20 118.61 1wif s ILE 99 Ca 0.51 0.98 -0.01 0.00 0.00 0.00 0.00 60.65 62.13 1wif s ILE 99 Cb -0.10 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1wif s ILE 99 CO 0.42 0.15 0.59 0.61 0.00 0.00 0.00 174.94 176.70 1wif n GLY 100 N 0.76 -0.11 3.25 6.18 0.00 0.38 -4.97 105.19 110.67 1wif n GLY 100 Ca 0.02 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1wif n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wif s THR 101 N -3.22 2.11 -0.52 2.61 2.01 -1.25 -4.88 115.64 112.50 1wif s THR 101 Ca 0.07 -1.02 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 1wif s THR 101 Cb -0.01 -1.79 0.05 0.00 0.01 0.00 0.00 72.50 70.76 1wif s THR 101 CO 0.44 0.56 0.77 -0.69 -0.69 0.00 0.00 174.62 175.01 1wif s VAL 102 N 0.13 4.66 0.10 3.82 1.01 -1.26 -3.43 120.40 125.43 1wif s VAL 102 Ca -0.12 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1wif s VAL 102 Cb -0.16 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1wif s VAL 102 CO 0.07 -0.92 -0.14 -0.76 0.00 0.00 0.00 175.10 173.34 1wif s LEU 103 N 3.22 2.86 -0.63 3.92 2.01 -1.25 -4.99 118.68 123.82 1wif s LEU 103 Ca 0.22 -0.46 -0.17 0.00 0.01 0.00 0.00 54.13 53.73 1wif s LEU 103 Cb -0.16 -1.68 0.13 0.00 0.01 0.00 0.00 46.19 44.49 1wif s LEU 103 CO 0.16 0.19 0.68 -1.58 1.01 0.00 0.00 176.35 176.80 1wif s GLN 104 N -2.11 3.13 -0.62 1.70 0.74 -1.26 -3.40 119.66 117.84 1wif s GLN 104 Ca 0.19 -1.60 -0.21 0.00 0.05 0.00 0.00 55.36 53.79 1wif s GLN 104 Cb -0.11 -4.34 0.08 0.00 1.10 0.00 0.00 33.01 29.75 1wif s GLN 104 CO 0.11 -1.46 0.84 0.42 -0.55 0.00 0.00 175.29 174.65 1wif s ILE 105 N 2.06 4.55 -0.27 -2.34 -1.09 -1.08 -3.61 121.20 119.40 1wif s ILE 105 Ca 0.11 -0.58 -0.15 0.00 -2.23 0.00 0.00 60.65 57.81 1wif s ILE 105 Cb -0.23 -4.58 -0.04 0.00 -1.58 0.00 0.00 42.46 36.03 1wif s ILE 105 CO 0.02 -1.28 0.36 -0.75 -1.23 0.00 0.00 174.94 172.07 1wif s LYS 106 N 3.45 3.99 0.07 2.79 2.20 -1.25 -3.18 119.74 127.83 1wif s LYS 106 Ca 0.18 -0.00 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 1wif s LYS 106 Cb -0.20 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 1wif s LYS 106 CO 0.09 -0.28 -0.06 0.00 -0.36 0.00 0.00 175.35 174.74 1wif s ALA 107 N 2.05 0.73 -0.39 3.13 0.00 0.84 0.55 121.76 128.66 1wif s ALA 107 Ca 0.14 -1.17 -0.22 0.00 0.00 0.00 0.00 51.96 50.71 1wif s ALA 107 Cb -0.16 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1wif s ALA 107 CO 0.10 -0.23 0.74 0.71 0.00 0.00 0.00 175.76 177.08 1wif s TYR 108 N -3.19 3.08 0.55 0.00 2.02 -1.13 -0.26 117.35 118.42 1wif s TYR 108 Ca 0.05 0.34 0.33 0.00 -0.37 0.00 0.00 57.07 57.43 1wif s TYR 108 Cb 0.02 -3.42 1.49 0.00 -0.40 0.00 0.00 41.96 39.65 1wif s TYR 108 CO -0.05 -0.80 1.82 -0.09 -1.57 0.00 0.00 175.55 174.86 1wif h ARG 109 N 8.66 0.00 -1.09 -0.62 9.65 -1.92 -3.37 114.38 125.69 1wif h ARG 109 Ca -0.25 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.66 1wif h ARG 109 Cb 1.09 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 29.46 1wif h ARG 109 CO 0.91 0.00 -0.34 0.20 2.80 0.00 0.00 179.97 183.54 1wif s GLY 110 N -3.91 -1.05 0.00 2.80 0.00 -1.26 -4.99 107.32 98.91 1wif s GLY 110 Ca -0.05 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.06 1wif s GLY 110 CO 0.73 3.44 0.00 0.33 0.00 0.00 0.00 173.10 177.60 1wif n PHE 111 N 5.42 -1.04 -3.80 1.90 -0.00 -1.26 -5.10 117.46 113.58 1wif n PHE 111 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.11 1wif n PHE 111 Cb 0.52 0.35 -0.09 0.00 -0.00 0.00 0.00 39.48 40.26 1wif n PHE 111 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1wif s LEU 112 N -4.40 4.00 0.09 -2.13 1.43 -1.26 -5.07 118.68 111.35 1wif s LEU 112 Ca 0.00 0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.91 1wif s LEU 112 Cb 0.00 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.11 1wif s LEU 112 CO 0.00 0.13 1.29 -1.61 0.23 0.00 0.00 176.35 176.39 1wif s GLU 113 N 0.66 4.38 0.11 1.70 2.02 -1.26 -5.00 118.70 121.32 1wif s GLU 113 Ca 0.06 1.92 -0.30 0.00 0.02 0.00 0.00 54.97 56.67 1wif s GLU 113 Cb -0.12 -3.29 -0.06 0.00 0.10 0.00 0.00 34.13 30.75 1wif s GLU 113 CO 0.01 -0.33 0.97 0.42 0.02 0.00 0.00 175.26 176.35 1wif s ILE 114 N 1.00 4.47 0.00 -1.63 1.01 -1.26 -5.00 121.20 119.79 1wif s ILE 114 Ca 0.61 2.04 -0.30 0.00 0.00 0.00 0.00 60.65 63.00 1wif s ILE 114 Cb -0.33 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.78 1wif s ILE 114 CO 0.30 0.31 1.45 -2.16 0.00 0.00 0.00 174.94 174.84 1wif s PRO 115 N 0.01 4.26 0.05 2.79 0.04 -1.26 -4.94 135.00 135.95 1wif s PRO 115 Ca 0.47 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 63.28 1wif s PRO 115 Cb -0.24 -3.61 -0.17 0.00 0.04 0.00 0.00 34.50 30.53 1wif s PRO 115 CO 0.30 -0.62 1.52 1.96 0.04 0.00 0.00 177.00 180.20 1wif h GLN 116 N 8.01 -0.24 -1.16 4.56 4.20 -1.94 -2.83 115.11 125.71 1wif h GLN 116 Ca -0.38 0.02 0.37 0.00 0.06 0.00 0.00 58.65 58.72 1wif h GLN 116 Cb 1.18 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.93 1wif h GLN 116 CO 0.91 -0.03 0.79 -1.91 -0.67 0.00 0.00 178.83 177.92 1wif n GLU 117 N -5.12 -0.02 0.16 1.46 2.13 -1.26 0.20 120.64 118.19 1wif n GLU 117 Ca -0.09 0.86 -0.07 0.00 0.66 0.00 0.00 57.16 58.52 1wif n GLU 117 Cb 0.18 -1.79 -0.03 0.00 0.27 0.00 0.00 31.44 30.07 1wif n GLU 117 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 1wif h TRP 118 N 0.00 -0.40 -2.37 4.31 4.06 -1.90 -3.43 115.95 116.22 1wif h TRP 118 Ca 0.65 -0.01 -0.55 0.00 2.06 0.00 0.00 58.89 61.04 1wif h TRP 118 Cb 2.31 0.13 0.03 0.00 -1.00 0.00 0.00 29.16 30.64 1wif h TRP 118 CO -0.00 -0.25 1.11 1.04 -3.56 0.00 0.00 178.44 176.77 1wif n GLN 119 N -3.89 2.65 -0.04 0.49 1.13 0.13 -4.90 117.38 112.95 1wif n GLN 119 Ca -0.05 0.97 -0.06 0.00 -1.94 0.00 0.00 57.00 55.91 1wif n GLN 119 Cb 0.17 -2.85 -0.04 0.00 0.11 0.00 0.00 30.24 27.62 1wif n GLN 119 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1wif h ASP 120 N 8.84 -0.80 -3.23 1.08 1.82 -1.84 -3.42 116.42 118.86 1wif h ASP 120 Ca -0.47 0.10 -0.57 0.00 -0.39 0.00 0.00 57.03 55.69 1wif h ASP 120 Cb 1.24 0.32 0.17 0.00 0.68 0.00 0.00 39.33 41.74 1wif h ASP 120 CO 0.94 -0.19 -0.20 -0.24 -1.61 0.00 0.00 179.24 177.94 1wif n SER 121 N -3.86 -0.40 0.00 2.28 2.88 -1.26 -4.98 113.62 108.27 1wif n SER 121 Ca -0.02 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1wif n SER 121 Cb 0.16 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.36 1wif n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wif n GLY 122 N 1.58 3.09 0.12 0.46 0.00 -1.26 -4.97 105.19 104.21 1wif n GLY 122 Ca 0.12 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1wif n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wif n PRO 123 N 0.00 0.17 -1.80 1.61 -0.04 -1.26 -4.99 135.00 128.69 1wif n PRO 123 Ca 0.00 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1wif n PRO 123 Cb 0.00 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1wif n PRO 123 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wif n SER 124 N -2.15 -8.06 -3.63 3.54 7.64 -1.26 -5.09 113.62 104.60 1wif n SER 124 Ca 0.02 1.18 -0.12 0.00 1.01 0.00 0.00 58.87 60.96 1wif n SER 124 Cb 0.22 -4.44 -0.07 0.00 -1.01 0.00 0.00 64.21 58.91 1wif n SER 124 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wif s SER 125 N -0.71 -0.63 0.00 6.43 0.01 -1.26 -5.31 113.70 112.23 1wif s SER 125 Ca 0.00 1.21 0.31 0.00 1.31 0.00 0.00 55.95 58.78 1wif s SER 125 Cb 0.00 1.23 1.72 0.00 0.21 0.00 0.00 66.02 69.18 1wif s SER 125 CO 0.00 -0.21 2.12 0.61 0.41 0.00 0.00 173.24 176.17