#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wif s SER 2 N 0.00 0.01 -0.22 1.61 0.15 -1.26 -5.18 113.70 108.81 1wif s SER 2 Ca 0.00 -1.09 -0.37 0.00 0.70 0.00 0.00 55.95 55.20 1wif s SER 2 Cb 0.00 0.53 0.15 0.00 -1.71 0.00 0.00 66.02 64.98 1wif s SER 2 CO 0.00 -1.05 1.34 -0.55 1.20 0.00 0.00 173.24 174.18 1wif s SER 3 N -3.07 -0.04 0.00 5.45 0.15 -1.26 -5.18 113.70 109.75 1wif s SER 3 Ca 0.28 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1wif s SER 3 Cb 0.02 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1wif s SER 3 CO 0.10 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1wif n GLY 4 N -0.12 4.02 1.36 9.45 0.00 -1.26 -5.16 105.19 113.47 1wif n GLY 4 Ca 0.01 -0.28 0.18 0.00 0.00 0.00 0.00 46.02 45.94 1wif n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wif n SER 5 N 0.00 -8.09 -4.03 1.61 7.64 -1.26 -4.89 113.62 104.60 1wif n SER 5 Ca 0.00 0.69 -0.10 0.00 1.01 0.00 0.00 58.87 60.47 1wif n SER 5 Cb 0.00 -4.20 -0.07 0.00 -1.01 0.00 0.00 64.21 58.93 1wif n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wif s SER 6 N -6.93 0.01 0.50 6.43 1.04 -1.26 -4.93 113.70 108.55 1wif s SER 6 Ca 0.00 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1wif s SER 6 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1wif s SER 6 CO 0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1wif n GLY 7 N -0.30 -0.09 7.00 7.32 0.00 -0.67 -4.87 105.19 113.59 1wif n GLY 7 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1wif n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wif n SER 8 N -3.50 -0.31 -4.62 1.61 7.64 -1.26 -4.50 113.62 108.68 1wif n SER 8 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 1wif n SER 8 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1wif n SER 8 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1wif n LYS 9 N -0.06 1.59 -1.43 1.43 4.81 -1.26 -4.54 118.16 118.70 1wif n LYS 9 Ca 0.00 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1wif n LYS 9 Cb 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1wif n LYS 9 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1wif n ASN 10 N 1.31 -7.72 -2.04 3.14 3.02 -1.26 -4.94 115.26 106.77 1wif n ASN 10 Ca 0.09 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.69 1wif n ASN 10 Cb 0.32 -3.72 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1wif n ASN 10 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wif n GLU 11 N 0.09 -4.25 -3.23 3.52 1.02 -1.26 -4.42 120.64 112.11 1wif n GLU 11 Ca 0.00 3.17 -0.46 0.00 -0.02 0.00 0.00 57.16 59.85 1wif n GLU 11 Cb 0.00 -3.84 -0.01 0.00 -0.02 0.00 0.00 31.44 27.56 1wif n GLU 11 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1wif s LYS 12 N -0.93 3.83 -0.30 3.49 0.00 -1.26 -2.74 119.74 121.83 1wif s LYS 12 Ca 0.00 -2.58 -0.01 0.00 0.00 0.00 0.00 55.97 53.38 1wif s LYS 12 Cb 0.00 -4.61 0.13 0.00 0.00 0.00 0.00 37.83 33.34 1wif s LYS 12 CO 0.00 -1.41 0.23 -1.21 0.00 0.00 0.00 175.35 172.97 1wif s GLU 13 N 0.31 0.33 0.32 1.78 0.41 -1.26 -4.88 118.70 115.71 1wif s GLU 13 Ca 0.27 -0.47 0.00 0.00 -0.41 0.00 0.00 54.97 54.36 1wif s GLU 13 Cb -0.08 -0.91 0.00 0.00 -1.78 0.00 0.00 34.13 31.36 1wif s GLU 13 CO -0.08 -1.06 0.00 1.04 -0.49 0.00 0.00 175.26 174.67 1wif n GLN 14 N 5.06 -5.61 -0.07 1.61 6.02 -1.26 -1.66 117.38 121.46 1wif n GLN 14 Ca -0.01 4.01 -0.15 0.00 -0.01 0.00 0.00 57.00 60.84 1wif n GLN 14 Cb 0.44 -4.38 -0.05 0.00 1.02 0.00 0.00 30.24 27.27 1wif n GLN 14 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wif n LEU 15 N 1.16 1.32 -4.52 1.08 7.99 -1.26 -3.00 117.00 119.77 1wif n LEU 15 Ca 0.00 0.22 -0.25 0.00 -0.01 0.00 0.00 56.01 55.98 1wif n LEU 15 Cb 0.00 -0.53 -0.11 0.00 -0.11 0.00 0.00 43.42 42.67 1wif n LEU 15 CO 0.00 0.16 -0.34 -0.44 -1.51 0.00 0.00 177.39 175.26 1wif s SER 16 N -6.41 3.35 0.25 -1.43 0.01 -1.26 -4.79 113.70 103.42 1wif s SER 16 Ca -0.23 -1.27 0.06 0.00 1.31 0.00 0.00 55.95 55.83 1wif s SER 16 Cb 0.08 -0.28 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 1wif s SER 16 CO 0.30 -0.36 0.26 -0.54 0.41 0.00 0.00 173.24 173.30 1wif s LYS 17 N -3.71 3.11 -0.75 12.44 3.01 -1.26 -5.07 119.74 127.52 1wif s LYS 17 Ca 0.33 -0.95 -0.16 0.00 -1.01 0.00 0.00 55.97 54.19 1wif s LYS 17 Cb 0.06 -2.68 0.17 0.00 -1.01 0.00 0.00 37.83 34.37 1wif s LYS 17 CO 0.16 0.41 0.75 0.00 0.51 0.00 0.00 175.35 177.18 1wif s ALA 18 N -2.08 3.82 0.00 5.17 0.00 -1.26 -4.96 121.76 122.45 1wif s ALA 18 Ca 0.33 -2.95 0.00 0.00 0.00 0.00 0.00 51.96 49.34 1wif s ALA 18 Cb -0.08 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1wif s ALA 18 CO 0.26 -2.33 0.00 1.63 0.00 0.00 0.00 175.76 175.32 1wif n LYS 19 N 4.88 0.00 -1.12 0.00 4.76 -1.26 -5.14 118.16 120.28 1wif n LYS 19 Ca 0.07 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.10 1wif n LYS 19 Cb 0.45 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.61 1wif n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wif n ALA 20 N -0.13 -2.63 -1.51 7.82 0.00 -1.26 -4.84 120.51 117.95 1wif n ALA 20 Ca 0.00 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 1wif n ALA 20 Cb 0.00 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.22 1wif n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wif n SER 21 N 1.44 7.06 -4.78 0.00 2.88 -1.26 -5.02 113.62 113.94 1wif n SER 21 Ca 0.15 -3.78 -0.35 0.00 -1.33 0.00 0.00 58.87 53.56 1wif n SER 21 Cb 0.15 -0.84 -0.01 0.00 -0.75 0.00 0.00 64.21 62.77 1wif n SER 21 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wif s VAL 22 N -4.79 3.33 0.00 2.46 0.11 -1.26 -4.99 120.40 115.26 1wif s VAL 22 Ca 0.61 0.83 0.00 0.00 -2.93 0.00 0.00 61.98 60.49 1wif s VAL 22 Cb 0.48 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 1wif s VAL 22 CO -0.01 -0.18 0.00 -1.20 -3.33 0.00 0.00 175.10 170.38 1wif n SER 23 N -1.21 0.00 -1.97 3.54 7.64 -1.26 -5.04 113.62 115.33 1wif n SER 23 Ca 0.11 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.77 1wif n SER 23 Cb 0.51 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.85 1wif n SER 23 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wif n SER 24 N 0.00 4.73 -4.87 6.43 7.64 -1.26 -4.99 113.62 121.30 1wif n SER 24 Ca 0.00 -3.73 -0.35 0.00 1.01 0.00 0.00 58.87 55.80 1wif n SER 24 Cb 0.00 -0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 62.37 1wif n SER 24 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wif s LEU 25 N -3.48 4.38 -0.25 -3.43 1.43 -1.26 -5.08 118.68 110.99 1wif s LEU 25 Ca 0.56 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 1wif s LEU 25 Cb 0.46 -2.70 0.06 0.00 0.03 0.00 0.00 46.19 44.05 1wif s LEU 25 CO 0.04 0.25 -0.08 0.20 0.23 0.00 0.00 176.35 176.99 1wif s ASN 26 N -1.59 4.13 -0.16 2.29 -0.87 -1.26 -5.10 114.94 112.38 1wif s ASN 26 Ca 0.27 -1.29 0.00 0.00 -1.57 0.00 0.00 52.86 50.28 1wif s ASN 26 Cb -0.14 -1.35 -0.00 0.00 -0.02 0.00 0.00 41.25 39.74 1wif s ASN 26 CO 0.15 -0.22 -0.15 -0.75 -2.57 0.00 0.00 177.10 173.57 1wif s LYS 27 N 1.26 3.21 0.63 -0.60 2.36 -1.26 -5.12 119.74 120.21 1wif s LYS 27 Ca -0.07 -0.75 -0.02 0.00 -2.55 0.00 0.00 55.97 52.58 1wif s LYS 27 Cb -0.19 -2.65 0.06 0.00 -1.05 0.00 0.00 37.83 34.00 1wif s LYS 27 CO -0.06 -0.02 0.89 0.14 1.55 0.00 0.00 175.35 177.85 1wif s VAL 28 N 0.90 2.45 -0.02 4.02 -7.23 -1.26 -4.63 120.40 114.63 1wif s VAL 28 Ca -0.04 -0.53 -0.00 0.00 -1.81 0.00 0.00 61.98 59.61 1wif s VAL 28 Cb -0.15 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 1wif s VAL 28 CO -0.01 0.00 0.03 -0.63 -0.31 0.00 0.00 175.10 174.17 1wif s ILE 29 N -2.98 4.39 -0.27 -0.62 -1.09 0.20 -4.98 121.20 115.85 1wif s ILE 29 Ca 0.60 -0.44 -0.09 0.00 -2.23 0.00 0.00 60.65 58.49 1wif s ILE 29 Cb -0.10 -2.95 0.12 0.00 -1.58 0.00 0.00 42.46 37.96 1wif s ILE 29 CO 0.41 0.43 0.58 0.00 -1.23 0.00 0.00 174.94 175.13 1wif s GLN 30 N -1.44 0.50 0.03 2.79 0.00 -1.26 -0.63 119.66 119.66 1wif s GLN 30 Ca 0.19 1.33 -0.06 0.00 -0.00 0.00 0.00 55.36 56.82 1wif s GLN 30 Cb -0.12 0.70 -0.01 0.00 0.00 0.00 0.00 33.01 33.59 1wif s GLN 30 CO 0.09 -0.21 0.11 -0.08 0.00 0.00 0.00 175.29 175.20 1wif s THR 31 N 2.79 0.12 -0.37 3.63 -1.32 -1.16 -4.96 115.64 114.37 1wif s THR 31 Ca -0.05 -1.00 -0.13 0.00 -1.21 0.00 0.00 61.69 59.30 1wif s THR 31 Cb -0.12 -0.81 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 1wif s THR 31 CO -0.17 -0.55 0.26 -0.54 -2.21 0.00 0.00 174.62 171.41 1wif s LYS 32 N -2.38 3.17 0.14 7.08 3.01 -1.26 -2.49 119.74 127.02 1wif s LYS 32 Ca -0.07 -0.87 -0.13 0.00 -1.01 0.00 0.00 55.97 53.89 1wif s LYS 32 Cb -0.02 -3.87 -0.07 0.00 -1.01 0.00 0.00 37.83 32.86 1wif s LYS 32 CO -0.03 -0.61 0.53 -0.51 0.51 0.00 0.00 175.35 175.23 1wif s LEU 33 N 1.68 4.33 -0.81 3.17 1.43 -1.25 -4.92 118.68 122.31 1wif s LEU 33 Ca 0.05 1.03 -0.19 0.00 -1.03 0.00 0.00 54.13 53.99 1wif s LEU 33 Cb -0.18 -3.24 0.12 0.00 0.03 0.00 0.00 46.19 42.92 1wif s LEU 33 CO 0.10 0.11 0.99 -0.89 0.23 0.00 0.00 176.35 176.89 1wif s THR 34 N -1.47 4.73 -0.04 5.49 2.01 -1.26 -4.24 115.64 120.87 1wif s THR 34 Ca 0.37 -1.31 -0.40 0.00 0.31 0.00 0.00 61.69 60.66 1wif s THR 34 Cb -0.15 -4.69 -0.20 0.00 0.01 0.00 0.00 72.50 67.48 1wif s THR 34 CO 0.19 -1.39 1.12 0.52 -0.69 0.00 0.00 174.62 174.37 1wif n VAL 35 N 5.46 0.00 -3.34 3.82 0.31 -1.22 -4.60 118.33 118.76 1wif n VAL 35 Ca 0.12 -0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.24 1wif n VAL 35 Cb 0.47 -0.07 0.01 0.00 -0.91 0.00 0.00 33.84 33.34 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 0.26 2.02 0.27 2.92 0.00 -1.26 -1.69 107.32 109.83 1wif s GLY 36 Ca 0.92 -1.80 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 1wif s GLY 36 CO 0.59 -1.69 1.64 3.43 0.00 0.00 0.00 173.10 177.06 1wif h ASN 37 N 0.63 -0.17 0.57 1.64 2.35 -1.95 0.72 115.58 119.36 1wif h ASN 37 Ca -0.37 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1wif h ASN 37 Cb 1.28 0.30 0.00 0.00 0.05 0.00 0.00 38.32 39.96 1wif h ASN 37 CO 0.49 -0.16 -0.42 0.18 -1.65 0.00 0.00 177.43 175.87 1wif n LEU 38 N -5.28 0.43 -1.13 1.61 4.32 -1.26 -4.96 117.00 110.73 1wif n LEU 38 Ca 0.17 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 1wif n LEU 38 Cb 0.58 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1wif n LEU 38 CO 0.05 0.11 -0.34 0.61 -1.22 0.00 0.00 177.39 176.60 1wif n GLY 39 N 1.50 -3.82 3.51 -0.72 0.00 0.25 -4.58 105.19 101.33 1wif n GLY 39 Ca 0.06 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.99 0.94 -1.09 0.99 -0.00 -1.26 -4.74 117.00 109.85 1wif n LEU 40 Ca 0.00 -0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.04 1wif n LEU 40 Cb 0.27 -1.12 0.19 0.00 -0.00 0.00 0.00 43.42 42.75 1wif n LEU 40 CO 0.00 -0.97 0.55 0.61 -0.00 0.00 0.00 177.39 177.58 1wif n GLY 41 N 6.38 2.00 1.14 1.47 0.00 -1.26 -4.97 105.19 109.95 1wif n GLY 41 Ca 0.57 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 0.32 0.06 -3.80 0.99 -0.00 -1.26 -4.52 117.00 108.79 1wif n LEU 42 Ca 0.13 0.37 -0.42 0.00 -0.00 0.00 0.00 56.01 56.09 1wif n LEU 42 Cb 0.64 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1wif n LEU 42 CO 0.14 -0.56 2.25 0.52 -0.00 0.00 0.00 177.39 179.75 1wif n VAL 43 N 0.61 4.04 -1.97 1.47 0.31 0.42 -4.86 118.33 118.35 1wif n VAL 43 Ca 0.07 -3.87 -0.30 0.00 -0.01 0.00 0.00 64.34 60.23 1wif n VAL 43 Cb 0.02 -2.45 0.01 0.00 -0.91 0.00 0.00 33.84 30.51 1wif n VAL 43 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wif s VAL 44 N 1.39 4.66 0.36 2.52 0.11 -1.26 -1.65 120.40 126.53 1wif s VAL 44 Ca 0.43 0.77 0.04 0.00 -2.93 0.00 0.00 61.98 60.29 1wif s VAL 44 Cb 0.12 -3.85 -0.03 0.00 -1.53 0.00 0.00 36.38 31.09 1wif s VAL 44 CO -0.03 -1.08 0.15 0.27 -3.33 0.00 0.00 175.10 171.08 1wif s ILE 45 N -3.14 0.47 -0.92 7.04 -4.36 -1.03 -4.79 121.20 114.49 1wif s ILE 45 Ca 0.54 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.78 1wif s ILE 45 Cb -0.11 -2.45 0.18 0.00 1.25 0.00 0.00 42.46 41.34 1wif s ILE 45 CO 0.53 0.00 0.99 -1.58 0.24 0.00 0.00 174.94 175.11 1wif s GLN 46 N -3.72 3.68 -0.30 0.37 -0.44 -1.26 -3.29 119.66 114.70 1wif s GLN 46 Ca 0.31 -2.24 0.03 0.00 -2.50 0.00 0.00 55.36 50.96 1wif s GLN 46 Cb 0.04 -4.68 0.08 0.00 -1.64 0.00 0.00 33.01 26.80 1wif s GLN 46 CO 0.17 -1.52 -0.04 1.21 0.50 0.00 0.00 175.29 175.62 1wif s ASN 47 N 2.75 4.62 0.18 6.67 2.47 -1.22 -5.01 114.94 125.40 1wif s ASN 47 Ca 0.27 -1.68 0.00 0.00 0.42 0.00 0.00 52.86 51.86 1wif s ASN 47 Cb -0.07 -1.60 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 1wif s ASN 47 CO -0.09 -0.27 0.00 0.61 -3.72 0.00 0.00 177.10 173.63 1wif n GLY 48 N 4.38 -1.36 0.00 1.21 0.00 -1.26 -3.75 105.19 104.41 1wif n GLY 48 Ca -0.07 -1.27 0.07 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.13 0.09 -4.40 1.61 -0.04 -1.26 -4.75 135.00 126.11 1wif n PRO 49 Ca 0.00 0.21 -0.20 0.00 -0.04 0.00 0.00 63.50 63.47 1wif n PRO 49 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1wif n PRO 49 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wif s TYR 50 N -2.83 1.84 -0.55 0.54 2.02 -1.25 -4.08 117.35 113.05 1wif s TYR 50 Ca 0.10 -0.73 -0.19 0.00 -0.37 0.00 0.00 57.07 55.87 1wif s TYR 50 Cb 0.10 -1.04 0.08 0.00 -0.40 0.00 0.00 41.96 40.70 1wif s TYR 50 CO 0.25 0.22 0.67 -0.51 -1.57 0.00 0.00 175.55 174.61 1wif s LEU 51 N -3.40 5.13 -0.15 -1.29 1.43 -1.26 -3.44 118.68 115.71 1wif s LEU 51 Ca 0.28 -1.15 -0.28 0.00 -1.03 0.00 0.00 54.13 51.96 1wif s LEU 51 Cb 0.04 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1wif s LEU 51 CO 0.11 -1.01 0.93 -1.10 0.23 0.00 0.00 176.35 175.50 1wif s GLN 52 N 2.71 4.35 -0.82 1.70 -0.21 -1.21 -4.01 119.66 122.17 1wif s GLN 52 Ca 0.14 1.22 -0.25 0.00 0.02 0.00 0.00 55.36 56.48 1wif s GLN 52 Cb -0.21 -3.57 -0.09 0.00 1.00 0.00 0.00 33.01 30.14 1wif s GLN 52 CO 0.09 -0.35 2.17 0.42 -2.12 0.00 0.00 175.29 175.50 1wif s ILE 53 N 2.20 3.23 0.27 1.08 1.01 -1.25 -2.46 121.20 125.28 1wif s ILE 53 Ca 0.43 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.89 1wif s ILE 53 Cb -0.17 -3.52 0.27 0.00 0.01 0.00 0.00 42.46 39.05 1wif s ILE 53 CO 0.14 -0.49 1.92 -1.28 0.00 0.00 0.00 174.94 175.23 1wif h SER 54 N 12.43 1.05 -5.01 3.58 0.87 -1.80 0.21 113.55 124.86 1wif h SER 54 Ca 0.02 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1wif h SER 54 Cb 1.02 -0.24 -0.16 0.00 -0.44 0.00 0.00 62.40 62.59 1wif h SER 54 CO 1.12 0.71 0.11 -2.28 -0.53 0.00 0.00 176.83 175.96 1wif s HIS 55 N -6.03 -0.50 -0.06 2.24 5.65 -0.66 -4.78 115.29 111.15 1wif s HIS 55 Ca -0.12 0.56 0.03 0.00 0.25 0.00 0.00 55.06 55.78 1wif s HIS 55 Cb 0.19 0.41 -0.02 0.00 -1.18 0.00 0.00 32.58 31.98 1wif s HIS 55 CO 0.81 -0.69 -0.14 -0.51 -0.65 0.00 0.00 174.74 173.56 1wif s LEU 56 N -2.02 2.76 -0.35 8.88 1.43 -1.26 0.16 118.68 128.28 1wif s LEU 56 Ca -0.05 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 1wif s LEU 56 Cb -0.01 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 1wif s LEU 56 CO -0.02 0.32 1.71 -0.63 0.23 0.00 0.00 176.35 177.95 1wif s ILE 57 N -0.54 3.57 0.30 -0.59 1.09 -1.26 -4.77 121.20 119.00 1wif s ILE 57 Ca 0.08 0.58 0.05 0.00 -1.10 0.00 0.00 60.65 60.26 1wif s ILE 57 Cb -0.12 -3.77 0.30 0.00 -1.06 0.00 0.00 42.46 37.81 1wif s ILE 57 CO 0.01 -0.49 1.68 -1.13 -0.10 0.00 0.00 174.94 174.91 1wif h ASN 58 N 12.34 0.28 -0.81 3.58 -1.24 -1.98 0.11 115.58 127.86 1wif h ASN 58 Ca -0.32 0.17 -0.42 0.00 0.71 0.00 0.00 56.30 56.43 1wif h ASN 58 Cb 1.15 0.17 -0.16 0.00 0.73 0.00 0.00 38.32 40.21 1wif h ASN 58 CO 1.04 -0.06 0.34 0.29 -1.29 0.00 0.00 177.43 177.75 1wif n LYS 59 N -5.09 2.19 0.00 6.67 5.02 -1.26 -4.42 118.16 121.27 1wif n LYS 59 Ca 0.23 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1wif n LYS 59 Cb 0.72 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.84 5.70 0.13 0.72 0.00 0.37 -4.88 105.19 108.07 1wif n GLY 60 Ca 0.43 -1.51 -0.18 0.00 0.00 0.00 0.00 46.02 44.76 1wif n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wif n ALA 61 N -3.00 1.29 0.10 4.61 0.00 -1.26 -3.80 120.51 118.46 1wif n ALA 61 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.34 1wif n ALA 61 Cb 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 1wif n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wif h ALA 62 N 0.16 -0.26 0.00 0.00 0.00 -1.93 -2.49 119.26 114.74 1wif h ALA 62 Ca -0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1wif h ALA 62 Cb 1.98 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 1wif h ALA 62 CO -0.02 -0.49 -0.05 0.00 0.00 0.00 0.00 179.25 178.69 1wif h ALA 63 N 0.13 1.76 -0.01 0.00 0.00 -1.80 0.52 119.26 119.87 1wif h ALA 63 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wif h ALA 63 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wif h ALA 63 CO 0.04 0.06 0.00 0.43 0.00 0.00 0.00 179.25 179.78 1wif n SER 64 N -4.25 0.64 -4.35 0.00 7.64 -1.13 -4.71 113.62 107.44 1wif n SER 64 Ca -0.03 -1.22 -0.37 0.00 1.01 0.00 0.00 58.87 58.26 1wif n SER 64 Cb 0.13 -0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.20 1wif n SER 64 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wif s ASP 65 N -1.99 5.13 0.00 6.43 -1.08 0.17 -4.98 116.67 120.35 1wif s ASP 65 Ca 0.43 -0.66 -0.02 0.00 -0.52 0.00 0.00 52.55 51.78 1wif s ASP 65 Cb 0.21 -1.89 -0.10 0.00 -1.46 0.00 0.00 42.92 39.69 1wif s ASP 65 CO 0.35 -0.18 2.44 0.61 0.52 0.00 0.00 175.17 178.91 1wif n GLY 66 N 4.87 2.51 0.03 2.66 0.00 -1.26 -3.31 105.19 110.69 1wif n GLY 66 Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1wif n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wif n ILE 67 N 1.97 0.00 -3.29 -0.61 2.08 -1.26 -5.06 119.36 113.19 1wif n ILE 67 Ca 0.16 0.00 -0.38 0.00 0.56 0.00 0.00 62.75 63.09 1wif n ILE 67 Cb 0.61 -0.17 -0.06 0.00 -0.75 0.00 0.00 39.64 39.27 1wif n ILE 67 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1wif s LEU 68 N -3.65 4.23 0.12 1.39 1.43 -1.21 -4.96 118.68 116.03 1wif s LEU 68 Ca 0.00 0.77 0.07 0.00 -1.03 0.00 0.00 54.13 53.94 1wif s LEU 68 Cb 0.00 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1wif s LEU 68 CO 0.00 -0.06 -0.09 0.00 0.23 0.00 0.00 176.35 176.43 1wif s GLN 69 N 0.97 2.14 -1.09 1.70 -2.07 -1.26 -4.87 119.66 115.18 1wif s GLN 69 Ca 0.25 -1.06 -0.23 0.00 -1.82 0.00 0.00 55.36 52.50 1wif s GLN 69 Cb -0.15 -2.29 -0.08 0.00 -1.09 0.00 0.00 33.01 29.40 1wif s GLN 69 CO 0.10 0.50 1.94 -1.25 -1.32 0.00 0.00 175.29 175.26 1wif s PRO 70 N -2.33 2.50 0.00 9.60 0.04 -1.26 -3.49 135.00 140.07 1wif s PRO 70 Ca 0.22 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.39 1wif s PRO 70 Cb -0.11 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1wif s PRO 70 CO 0.14 -3.80 0.00 0.41 0.04 0.00 0.00 177.00 173.80 1wif n GLY 71 N 6.15 0.00 0.00 0.56 0.00 0.72 -4.64 105.19 107.99 1wif n GLY 71 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1wif n GLY 71 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wif n ASP 72 N 0.00 0.65 -3.51 1.61 5.68 -1.23 -4.84 116.55 114.91 1wif n ASP 72 Ca 0.00 -0.56 -0.29 0.00 -0.50 0.00 0.00 54.79 53.44 1wif n ASP 72 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1wif n ASP 72 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1wif s VAL 73 N 0.93 0.54 0.27 2.12 1.01 -1.13 -3.86 120.40 120.27 1wif s VAL 73 Ca 0.00 -2.21 -0.29 0.00 0.00 0.00 0.00 61.98 59.48 1wif s VAL 73 Cb 0.00 -1.39 -0.14 0.00 0.00 0.00 0.00 36.38 34.85 1wif s VAL 73 CO 0.00 -1.04 1.11 0.18 0.00 0.00 0.00 175.10 175.35 1wif n LEU 74 N 3.56 2.06 -0.40 3.92 4.77 -1.26 -2.26 117.00 127.40 1wif n LEU 74 Ca 0.16 1.17 0.02 0.00 -0.03 0.00 0.00 56.01 57.33 1wif n LEU 74 Cb 0.39 -1.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.20 1wif n LEU 74 CO 0.15 -1.20 0.31 -0.38 -1.33 0.00 0.00 177.39 174.95 1wif n ILE 75 N 0.63 0.36 0.00 -0.08 -0.00 0.15 -4.14 119.36 116.28 1wif n ILE 75 Ca 0.10 -0.43 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 1wif n ILE 75 Cb 0.31 0.38 0.00 0.00 -0.00 0.00 0.00 39.64 40.33 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 -0.27 0.00 -4.42 4.38 3.41 -1.26 -4.36 113.62 111.10 1wif n SER 76 Ca 0.03 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.20 1wif n SER 76 Cb 0.68 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 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 4.81 0.00 -3.33 1.01 -1.20 -3.87 120.40 117.82 1wif s VAL 77 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1wif s VAL 77 Cb 0.00 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1wif s VAL 77 CO 0.00 -1.38 0.00 0.61 0.00 0.00 0.00 175.10 174.33 1wif n GLY 78 N 5.23 0.50 2.53 4.51 0.00 -1.25 -3.98 105.19 112.73 1wif n GLY 78 Ca 0.14 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.61 -0.11 -3.87 1.61 -0.00 -1.26 -4.89 115.22 106.10 1wif n HIS 79 Ca 0.00 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.85 1wif n HIS 79 Cb 0.27 -2.32 -0.13 0.00 -0.12 0.00 0.00 29.99 27.69 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 -1.59 3.27 -0.91 1.57 0.00 -1.26 -5.04 121.76 117.80 1wif s ALA 80 Ca 0.00 -2.99 -0.29 0.00 0.00 0.00 0.00 51.96 48.68 1wif s ALA 80 Cb 0.00 -2.30 -0.20 0.00 0.00 0.00 0.00 23.12 20.62 1wif s ALA 80 CO 0.00 -1.93 2.63 -1.71 0.00 0.00 0.00 175.76 174.74 1wif n ASN 81 N 3.71 0.59 -1.75 0.00 2.85 -1.26 -3.23 115.26 116.16 1wif n ASN 81 Ca 0.04 0.01 -0.06 0.00 -0.11 0.00 0.00 54.58 54.47 1wif n ASN 81 Cb 0.37 -1.03 0.27 0.00 1.24 0.00 0.00 39.78 40.63 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 7.53 2.83 -0.00 3.44 0.24 -1.26 -4.69 118.33 126.41 1wif n VAL 82 Ca 0.61 -1.89 -0.13 0.00 -2.04 0.00 0.00 64.34 60.89 1wif n VAL 82 Cb 0.13 -0.35 -0.08 0.00 -1.47 0.00 0.00 33.84 32.07 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 2.08 -1.50 -3.00 1.34 6.46 -1.80 -2.37 115.31 116.52 1wif h LEU 83 Ca 0.27 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 58.22 1wif h LEU 83 Cb 2.19 0.60 0.00 0.00 -0.73 0.00 0.00 40.66 42.71 1wif h LEU 83 CO 0.67 -0.45 0.00 0.61 -0.62 0.00 0.00 178.44 178.64 1wif n GLY 84 N -1.44 2.77 3.75 3.75 0.00 -1.26 -4.10 105.19 108.66 1wif n GLY 84 Ca -0.05 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.54 2.78 0.81 1.61 1.51 -0.89 -4.98 117.35 116.65 1wif s TYR 85 Ca 0.46 0.71 -0.12 0.00 -1.01 0.00 0.00 57.07 57.11 1wif s TYR 85 Cb 0.28 -4.08 0.08 0.00 -0.11 0.00 0.00 41.96 38.13 1wif s TYR 85 CO 0.25 -3.70 1.18 0.95 -1.11 0.00 0.00 175.55 173.11 1wif s THR 86 N 0.20 2.01 0.14 -0.71 -4.23 -1.26 -4.56 115.64 107.22 1wif s THR 86 Ca 0.65 -0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 60.99 1wif s THR 86 Cb -0.48 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 1wif s THR 86 CO 0.45 0.00 1.75 0.25 -0.54 0.00 0.00 174.62 176.53 1wif h LEU 87 N -1.05 0.44 0.76 4.79 5.85 -1.94 0.50 115.31 124.65 1wif h LEU 87 Ca -0.46 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.15 1wif h LEU 87 Cb 1.33 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.25 1wif h LEU 87 CO 0.66 0.39 -0.37 0.03 -0.34 0.00 0.00 178.44 178.81 1wif h ARG 88 N 0.46 -0.99 -0.40 1.25 -0.00 -1.99 -0.71 114.38 112.00 1wif h ARG 88 Ca 0.13 0.07 0.12 0.00 -0.50 0.00 0.00 59.98 59.79 1wif h ARG 88 Cb 0.04 0.22 -0.02 0.00 0.00 0.00 0.00 29.97 30.22 1wif h ARG 88 CO -0.02 -0.66 0.37 0.93 0.00 0.00 0.00 179.97 180.59 1wif h GLU 89 N -1.20 0.00 0.27 0.04 4.39 -1.95 -1.09 114.58 115.04 1wif h GLU 89 Ca -0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1wif h GLU 89 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1wif h GLU 89 CO 0.17 0.00 -0.13 0.35 -1.16 0.00 0.00 179.01 178.24 1wif h PHE 90 N 0.00 -0.33 -0.62 4.33 3.57 -0.66 -1.95 116.94 121.27 1wif h PHE 90 Ca 0.19 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.81 1wif h PHE 90 Cb 0.93 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 1wif h PHE 90 CO 0.00 -0.07 0.42 -0.07 -2.23 0.00 0.00 178.31 176.37 1wif h LEU 91 N -1.03 0.27 -0.44 0.59 -0.00 -0.55 0.12 115.31 114.27 1wif h LEU 91 Ca -0.04 0.01 -0.16 0.00 -0.00 0.00 0.00 57.88 57.69 1wif h LEU 91 Cb 0.41 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.01 1wif h LEU 91 CO 0.06 0.15 -0.76 0.07 -0.00 0.00 0.00 178.44 177.96 1wif h LYS 92 N 0.29 0.00 0.39 1.13 5.09 -1.27 -3.03 116.57 119.17 1wif h LYS 92 Ca 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 61.02 1wif h LYS 92 Cb 0.77 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.10 1wif h LYS 92 CO -0.07 0.76 -0.19 1.25 -2.09 0.00 0.00 179.45 179.12 1wif h LEU 93 N 0.00 -0.45 -1.72 7.07 5.85 0.03 -3.13 115.31 122.96 1wif h LEU 93 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1wif h LEU 93 Cb 1.37 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1wif h LEU 93 CO 0.10 -0.10 0.23 -0.07 -0.34 0.00 0.00 178.44 178.26 1wif h LEU 94 N -0.96 0.00 0.00 2.25 3.38 -1.45 0.34 115.31 118.86 1wif h LEU 94 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wif h LEU 94 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wif h LEU 94 CO 0.09 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1wif n GLN 95 N -2.58 0.44 -0.08 1.13 6.02 -1.14 -2.08 117.38 119.09 1wif n GLN 95 Ca -0.02 0.06 0.10 0.00 -0.01 0.00 0.00 57.00 57.13 1wif n GLN 95 Cb 0.27 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.16 1wif n GLN 95 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1wif n ASN 96 N -1.17 2.91 -4.82 1.08 3.02 0.12 -4.97 115.26 111.42 1wif n ASN 96 Ca 0.12 -1.88 -0.34 0.00 -0.03 0.00 0.00 54.58 52.46 1wif n ASN 96 Cb 0.13 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.51 4.43 0.20 2.41 -1.09 -0.89 -5.07 121.20 119.68 1wif s ILE 97 Ca 0.28 1.42 0.05 0.00 -2.23 0.00 0.00 60.65 60.17 1wif s ILE 97 Cb 0.18 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1wif s ILE 97 CO 0.26 -0.21 0.23 -0.89 -1.23 0.00 0.00 174.94 173.10 1wif s THR 98 N -2.04 4.82 0.30 2.92 2.01 -1.26 -5.07 115.64 117.32 1wif s THR 98 Ca 0.58 -1.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.22 1wif s THR 98 Cb -0.11 -3.54 -0.11 0.00 0.01 0.00 0.00 72.50 68.76 1wif s THR 98 CO 0.16 -0.22 1.44 -0.63 -0.69 0.00 0.00 174.62 174.68 1wif s ILE 99 N -1.91 2.44 -0.55 1.82 1.01 -1.26 -3.47 121.20 119.28 1wif s ILE 99 Ca 0.33 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.37 1wif s ILE 99 Cb -0.09 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1wif s ILE 99 CO 0.26 0.08 0.47 0.61 0.00 0.00 0.00 174.94 176.36 1wif n GLY 100 N 1.48 0.02 3.25 6.18 0.00 -0.68 -5.00 105.19 110.44 1wif n GLY 100 Ca 0.04 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.18 1.83 -0.30 2.61 2.01 -1.23 -4.93 115.64 112.47 1wif s THR 101 Ca 0.06 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.93 1wif s THR 101 Cb -0.01 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1wif s THR 101 CO 0.35 0.52 0.40 0.54 -0.69 0.00 0.00 174.62 175.73 1wif s VAL 102 N -0.35 5.14 0.09 3.82 0.11 -1.26 -3.44 120.40 124.50 1wif s VAL 102 Ca 0.04 0.42 0.07 0.00 -2.93 0.00 0.00 61.98 59.57 1wif s VAL 102 Cb -0.11 -3.78 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 1wif s VAL 102 CO 0.01 0.03 -0.18 -0.76 -3.33 0.00 0.00 175.10 170.88 1wif s LEU 103 N 2.12 2.29 -0.55 2.54 2.01 -1.26 -5.05 118.68 120.78 1wif s LEU 103 Ca 0.15 -0.65 -0.17 0.00 0.01 0.00 0.00 54.13 53.46 1wif s LEU 103 Cb -0.16 -0.70 0.10 0.00 0.01 0.00 0.00 46.19 45.44 1wif s LEU 103 CO 0.11 -0.01 0.58 -1.58 1.01 0.00 0.00 176.35 176.46 1wif s GLN 104 N -1.82 3.03 -0.63 1.70 0.74 -1.26 -3.83 119.66 117.59 1wif s GLN 104 Ca 0.02 -1.39 -0.20 0.00 0.05 0.00 0.00 55.36 53.84 1wif s GLN 104 Cb -0.10 -4.23 0.09 0.00 1.10 0.00 0.00 33.01 29.87 1wif s GLN 104 CO 0.03 -1.35 0.81 0.42 -0.55 0.00 0.00 175.29 174.65 1wif s ILE 105 N 2.17 4.66 -0.22 -2.34 -1.09 -1.04 -3.94 121.20 119.41 1wif s ILE 105 Ca 0.08 -0.82 -0.12 0.00 -2.23 0.00 0.00 60.65 57.56 1wif s ILE 105 Cb -0.25 -4.57 -0.05 0.00 -1.58 0.00 0.00 42.46 36.01 1wif s ILE 105 CO 0.06 -1.25 0.24 -0.75 -1.23 0.00 0.00 174.94 172.01 1wif s LYS 106 N 3.12 4.12 0.04 2.79 2.20 -1.25 -2.97 119.74 127.80 1wif s LYS 106 Ca 0.16 -0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.69 1wif s LYS 106 Cb -0.21 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1wif s LYS 106 CO 0.07 0.06 -0.06 0.00 -0.36 0.00 0.00 175.35 175.06 1wif s ALA 107 N 1.05 0.50 -0.23 3.13 0.00 0.20 0.30 121.76 126.72 1wif s ALA 107 Ca 0.12 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 1wif s ALA 107 Cb -0.14 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1wif s ALA 107 CO 0.05 -0.10 0.35 0.71 0.00 0.00 0.00 175.76 176.77 1wif s TYR 108 N -1.84 3.32 -1.06 0.00 2.02 -0.96 -0.63 117.35 118.21 1wif s TYR 108 Ca -0.08 0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 57.08 1wif s TYR 108 Cb -0.07 -2.50 0.31 0.00 -0.40 0.00 0.00 41.96 39.30 1wif s TYR 108 CO -0.01 -0.07 1.77 0.54 -1.57 0.00 0.00 175.55 176.21 1wif n ARG 109 N 4.74 5.17 0.00 -0.62 1.74 -1.26 -2.84 116.66 123.60 1wif n ARG 109 Ca -0.09 -4.58 0.00 0.00 -0.77 0.00 0.00 57.85 52.41 1wif n ARG 109 Cb 0.51 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 1wif n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wif n GLY 110 N 0.37 0.07 0.00 -0.13 0.00 -1.26 -5.05 105.19 99.20 1wif n GLY 110 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1wif n GLY 110 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wif n PHE 111 N 0.00 0.00 -4.29 1.61 -0.00 -1.26 -4.73 117.46 108.79 1wif n PHE 111 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.22 1wif n PHE 111 Cb 0.00 -0.43 -0.07 0.00 -0.00 0.00 0.00 39.48 38.98 1wif n PHE 111 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.76 176.28 1wif s LEU 112 N -4.76 3.20 0.31 -2.13 0.05 -1.26 -5.14 118.68 108.95 1wif s LEU 112 Ca 0.00 -0.64 0.05 0.00 0.05 0.00 0.00 54.13 53.59 1wif s LEU 112 Cb 0.00 -1.72 -0.02 0.00 -2.05 0.00 0.00 46.19 42.40 1wif s LEU 112 CO 0.00 0.00 0.45 -1.61 -0.55 0.00 0.00 176.35 174.64 1wif s GLU 113 N -3.67 3.24 0.01 1.48 2.02 -1.26 -5.00 118.70 115.51 1wif s GLU 113 Ca 0.31 -0.87 -0.17 0.00 0.02 0.00 0.00 54.97 54.27 1wif s GLU 113 Cb -0.06 -2.82 -0.06 0.00 0.10 0.00 0.00 34.13 31.29 1wif s GLU 113 CO 0.20 0.17 0.48 0.42 0.02 0.00 0.00 175.26 176.54 1wif s ILE 114 N -2.14 4.94 -0.38 -1.63 1.01 -1.26 -5.02 121.20 116.72 1wif s ILE 114 Ca 0.41 0.99 -0.28 0.00 0.00 0.00 0.00 60.65 61.77 1wif s ILE 114 Cb -0.09 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1wif s ILE 114 CO 0.31 0.54 1.73 -2.16 0.00 0.00 0.00 174.94 175.35 1wif s PRO 115 N -0.86 3.29 0.26 2.79 0.04 -1.26 -4.88 135.00 134.38 1wif s PRO 115 Ca 0.26 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 1wif s PRO 115 Cb -0.17 -4.19 0.56 0.00 0.04 0.00 0.00 34.50 30.74 1wif s PRO 115 CO 0.15 -1.91 1.71 1.96 0.04 0.00 0.00 177.00 178.95 1wif h GLN 116 N 12.70 0.39 -0.81 4.56 1.08 -1.95 -0.76 115.11 130.32 1wif h GLN 116 Ca -0.31 -0.02 0.33 0.00 -1.45 0.00 0.00 58.65 57.19 1wif h GLN 116 Cb 1.15 -0.09 -0.15 0.00 -0.05 0.00 0.00 27.48 28.35 1wif h GLN 116 CO 1.07 0.26 0.38 0.39 -0.95 0.00 0.00 178.83 179.98 1wif n GLU 117 N -5.04 -0.05 0.05 1.46 1.02 -1.26 -0.86 120.64 115.96 1wif n GLU 117 Ca 0.17 1.13 -0.02 0.00 -0.02 0.00 0.00 57.16 58.42 1wif n GLU 117 Cb 0.51 -2.00 -0.01 0.00 -0.02 0.00 0.00 31.44 29.92 1wif n GLU 117 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1wif h TRP 118 N 0.00 -0.12 -1.46 -0.32 4.06 -1.53 -3.43 115.95 113.15 1wif h TRP 118 Ca 0.66 -0.00 -0.75 0.00 2.06 0.00 0.00 58.89 60.86 1wif h TRP 118 Cb 1.72 0.04 0.02 0.00 -1.00 0.00 0.00 29.16 29.94 1wif h TRP 118 CO -0.06 -0.07 0.78 1.04 -3.56 0.00 0.00 178.44 176.57 1wif n GLN 119 N -2.42 0.94 -0.22 0.49 1.13 -0.04 -4.84 117.38 112.43 1wif n GLN 119 Ca -0.02 0.34 -0.10 0.00 -1.94 0.00 0.00 57.00 55.29 1wif n GLN 119 Cb 0.05 -1.99 -0.06 0.00 0.11 0.00 0.00 30.24 28.35 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 6.36 -1.71 -5.01 1.08 3.58 -1.84 -3.45 116.42 115.44 1wif h ASP 120 Ca -0.46 0.26 -0.04 0.00 0.42 0.00 0.00 57.03 57.20 1wif h ASP 120 Cb 1.33 0.75 -0.15 0.00 1.72 0.00 0.00 39.33 42.98 1wif h ASP 120 CO 0.93 -0.34 0.13 -0.44 -2.88 0.00 0.00 179.24 176.63 1wif s SER 121 N -5.18 -0.52 0.38 2.28 0.01 -1.26 -5.07 113.70 104.34 1wif s SER 121 Ca -0.14 0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.35 1wif s SER 121 Cb 0.12 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.85 1wif s SER 121 CO 0.64 -0.80 0.12 -0.83 0.41 0.00 0.00 173.24 172.78 1wif s GLY 122 N -2.16 2.44 0.52 3.44 0.00 -1.26 -5.04 107.32 105.26 1wif s GLY 122 Ca -0.04 -1.45 0.30 0.00 0.00 0.00 0.00 44.72 43.54 1wif s GLY 122 CO -0.04 -1.81 1.95 -0.56 0.00 0.00 0.00 173.10 172.65 1wif h PRO 123 N 1.90 0.00 -6.09 2.90 0.13 -2.03 -3.45 132.00 125.35 1wif h PRO 123 Ca -0.36 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.99 1wif h PRO 123 Cb 1.27 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.43 1wif h PRO 123 CO 0.59 0.09 0.41 -1.13 -0.23 0.00 0.00 178.00 177.73 1wif n SER 124 N -3.25 1.01 -3.19 1.44 3.41 -1.26 -4.92 113.62 106.86 1wif n SER 124 Ca 0.00 1.14 0.05 0.00 -0.26 0.00 0.00 58.87 59.80 1wif n SER 124 Cb 0.33 -1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 1wif n SER 124 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wif s SER 125 N 1.25 -0.27 0.00 4.04 0.01 -1.26 -5.22 113.70 112.25 1wif s SER 125 Ca 0.93 0.24 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1wif s SER 125 Cb -1.21 1.25 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1wif s SER 125 CO 0.61 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.82