#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 0.00 -3.34 1.61 2.88 -1.26 -5.14 113.62 108.37 1wif n SER 2 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1wif n SER 2 Cb 0.00 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1wif n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wif n SER 3 N -1.49 -2.55 0.05 -3.46 2.88 -1.26 -4.86 113.62 102.93 1wif n SER 3 Ca 0.00 0.57 -0.13 0.00 -1.33 0.00 0.00 58.87 57.99 1wif n SER 3 Cb 0.00 -0.68 -0.08 0.00 -0.75 0.00 0.00 64.21 62.70 1wif n SER 3 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wif h GLY 4 N 0.12 -0.11 0.00 0.46 0.00 -2.01 -3.46 103.07 98.08 1wif h GLY 4 Ca -0.30 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1wif h GLY 4 CO 0.35 -0.04 0.00 1.44 0.00 0.00 0.00 176.54 178.29 1wif n SER 5 N -5.03 0.00 0.00 0.19 7.64 -1.26 -3.48 113.62 111.68 1wif n SER 5 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1wif n SER 5 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1wif n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wif n SER 6 N 2.79 0.00 -4.66 6.43 2.88 -1.26 -5.13 113.62 114.66 1wif n SER 6 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 1wif n SER 6 Cb 0.00 0.02 -0.02 0.00 -0.75 0.00 0.00 64.21 63.46 1wif n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wif n GLY 7 N -0.77 0.59 3.55 0.46 0.00 -1.23 -4.87 105.19 102.91 1wif n GLY 7 Ca 0.00 0.45 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 1wif n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wif s SER 8 N 0.08 6.42 -0.62 1.61 0.15 -1.16 -4.31 113.70 115.86 1wif s SER 8 Ca 0.65 -1.25 -0.08 0.00 0.70 0.00 0.00 55.95 55.98 1wif s SER 8 Cb -0.65 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 61.18 1wif s SER 8 CO 0.53 -1.55 0.20 1.17 1.20 0.00 0.00 173.24 174.79 1wif n LYS 9 N 8.79 -2.01 -3.22 5.44 4.81 -1.26 -4.82 118.16 125.89 1wif n LYS 9 Ca 0.24 0.05 -0.01 0.00 -0.87 0.00 0.00 58.31 57.72 1wif n LYS 9 Cb 0.50 -4.02 -0.03 0.00 0.02 0.00 0.00 35.03 31.50 1wif n LYS 9 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1wif s ASN 10 N -2.21 -0.79 0.65 3.14 2.47 -1.26 -5.14 114.94 111.80 1wif s ASN 10 Ca 0.27 0.52 0.00 0.00 0.42 0.00 0.00 52.86 54.08 1wif s ASN 10 Cb -0.16 1.76 0.00 0.00 -1.45 0.00 0.00 41.25 41.40 1wif s ASN 10 CO 0.34 -0.28 0.00 -0.62 -3.72 0.00 0.00 177.10 172.81 1wif n GLU 11 N 5.40 -1.23 -0.35 0.43 1.02 -1.26 -4.07 120.64 120.59 1wif n GLU 11 Ca -0.01 0.81 0.08 0.00 -0.02 0.00 0.00 57.16 58.02 1wif n GLU 11 Cb 0.51 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.69 1wif n GLU 11 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wif n LYS 12 N -2.83 3.02 0.07 3.49 5.02 -1.26 -4.51 118.16 121.16 1wif n LYS 12 Ca 0.00 -2.48 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 1wif n LYS 12 Cb 0.28 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1wif n LYS 12 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wif n GLU 13 N 0.87 0.00 -1.01 1.97 1.02 -1.26 -4.46 120.64 117.76 1wif n GLU 13 Ca 0.19 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.99 1wif n GLU 13 Cb 0.62 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.03 1wif n GLU 13 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1wif n GLN 14 N -2.95 0.00 -3.60 3.49 1.13 -1.26 -4.25 117.38 109.94 1wif n GLN 14 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 1wif n GLN 14 Cb 0.00 -0.73 -0.02 0.00 0.11 0.00 0.00 30.24 29.60 1wif n GLN 14 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1wif s LEU 15 N 2.33 -0.13 0.28 1.08 2.34 -1.26 -3.01 118.68 120.32 1wif s LEU 15 Ca 0.46 -0.04 0.00 0.00 0.06 0.00 0.00 54.13 54.61 1wif s LEU 15 Cb -0.65 1.42 0.00 0.00 -0.56 0.00 0.00 46.19 46.40 1wif s LEU 15 CO 0.42 -0.28 0.00 -1.20 -1.06 0.00 0.00 176.35 174.23 1wif n SER 16 N -0.20 -7.26 -4.42 1.48 7.64 -1.26 -4.79 113.62 104.80 1wif n SER 16 Ca -0.02 0.49 -0.31 0.00 1.01 0.00 0.00 58.87 60.03 1wif n SER 16 Cb 0.60 -3.78 0.19 0.00 -1.01 0.00 0.00 64.21 60.20 1wif n SER 16 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wif n LYS 17 N -3.67 -1.50 -2.35 1.43 4.01 -1.26 -4.97 118.16 109.86 1wif n LYS 17 Ca 0.01 -0.40 -0.18 0.00 -0.51 0.00 0.00 58.31 57.23 1wif n LYS 17 Cb 0.64 -1.98 0.02 0.00 -0.51 0.00 0.00 35.03 33.20 1wif n LYS 17 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wif n ALA 18 N -4.44 4.32 -3.16 7.82 0.00 -1.26 -5.06 120.51 118.72 1wif n ALA 18 Ca 0.04 -3.58 -0.10 0.00 0.00 0.00 0.00 53.44 49.80 1wif n ALA 18 Cb 0.56 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 1wif n ALA 18 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wif s LYS 19 N -3.60 1.62 -0.29 0.00 -0.14 -1.26 -5.18 119.74 110.90 1wif s LYS 19 Ca 0.43 -1.33 -0.23 0.00 -1.36 0.00 0.00 55.97 53.48 1wif s LYS 19 Cb 0.39 0.47 0.14 0.00 -1.68 0.00 0.00 37.83 37.15 1wif s LYS 19 CO -0.02 -0.68 1.09 0.00 -0.76 0.00 0.00 175.35 174.98 1wif s ALA 20 N -3.81 -2.09 -0.30 5.17 0.00 -1.26 -5.07 121.76 114.39 1wif s ALA 20 Ca 0.23 1.92 0.19 0.00 0.00 0.00 0.00 51.96 54.30 1wif s ALA 20 Cb -0.01 -1.56 0.48 0.00 0.00 0.00 0.00 23.12 22.03 1wif s ALA 20 CO 0.11 -0.24 1.02 0.45 0.00 0.00 0.00 175.76 177.09 1wif n SER 21 N 2.45 1.69 -4.85 0.00 2.88 -1.26 -5.10 113.62 109.43 1wif n SER 21 Ca -0.13 -2.53 -0.38 0.00 -1.33 0.00 0.00 58.87 54.50 1wif n SER 21 Cb 0.56 -0.51 -0.06 0.00 -0.75 0.00 0.00 64.21 63.46 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 -3.49 5.16 -0.35 2.46 0.11 -1.26 -5.01 120.40 118.03 1wif s VAL 22 Ca 0.28 0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 59.96 1wif s VAL 22 Cb 0.41 -3.62 0.27 0.00 -1.53 0.00 0.00 36.38 31.90 1wif s VAL 22 CO 0.00 0.57 1.19 -1.54 -3.33 0.00 0.00 175.10 172.00 1wif n SER 23 N 1.80 -1.51 -2.24 3.54 3.41 -1.26 -5.03 113.62 112.33 1wif n SER 23 Ca -0.15 -1.98 -0.02 0.00 -0.26 0.00 0.00 58.87 56.46 1wif n SER 23 Cb 0.53 0.86 0.03 0.00 -0.26 0.00 0.00 64.21 65.37 1wif n SER 23 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wif n SER 24 N 1.55 -0.87 -3.35 4.04 2.88 -1.26 -5.10 113.62 111.51 1wif n SER 24 Ca 0.03 -1.61 -0.14 0.00 -1.33 0.00 0.00 58.87 55.82 1wif n SER 24 Cb 0.70 0.57 -0.08 0.00 -0.75 0.00 0.00 64.21 64.65 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 -1.90 -0.46 -0.22 2.46 1.43 -1.26 -5.12 118.68 113.62 1wif s LEU 25 Ca 0.05 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1wif s LEU 25 Cb 0.16 0.78 0.05 0.00 0.03 0.00 0.00 46.19 47.21 1wif s LEU 25 CO -0.04 -0.35 -0.06 0.54 0.23 0.00 0.00 176.35 176.66 1wif s ASN 26 N 2.30 3.65 0.28 2.29 2.20 -1.26 -5.09 114.94 119.31 1wif s ASN 26 Ca 0.11 -1.06 -0.06 0.00 -0.94 0.00 0.00 52.86 50.90 1wif s ASN 26 Cb -0.13 -1.15 -0.06 0.00 -2.00 0.00 0.00 41.25 37.91 1wif s ASN 26 CO -0.27 -0.21 0.56 -1.59 -2.94 0.00 0.00 177.10 172.65 1wif s LYS 27 N 1.43 3.67 0.09 3.55 0.00 -1.26 -5.00 119.74 122.21 1wif s LYS 27 Ca -0.04 0.08 -0.29 0.00 0.00 0.00 0.00 55.97 55.72 1wif s LYS 27 Cb -0.18 -2.63 -0.06 0.00 0.00 0.00 0.00 37.83 34.96 1wif s LYS 27 CO -0.07 0.22 0.91 0.08 0.00 0.00 0.00 175.35 176.49 1wif s VAL 28 N -2.05 4.57 -0.21 1.79 1.01 -1.26 -4.10 120.40 120.15 1wif s VAL 28 Ca 0.45 1.96 -0.09 0.00 0.00 0.00 0.00 61.98 64.30 1wif s VAL 28 Cb -0.11 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1wif s VAL 28 CO 0.28 0.33 0.11 -0.63 0.00 0.00 0.00 175.10 175.19 1wif s ILE 29 N 0.00 5.11 -0.16 2.22 -1.09 -0.40 -5.01 121.20 121.88 1wif s ILE 29 Ca 0.45 0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.90 1wif s ILE 29 Cb -0.23 -3.34 0.07 0.00 -1.58 0.00 0.00 42.46 37.39 1wif s ILE 29 CO 0.28 0.41 0.34 0.00 -1.23 0.00 0.00 174.94 174.74 1wif s GLN 30 N 0.63 0.24 0.04 2.79 -2.07 -1.26 -0.20 119.66 119.84 1wif s GLN 30 Ca 0.06 0.85 -0.06 0.00 -1.82 0.00 0.00 55.36 54.40 1wif s GLN 30 Cb -0.12 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 31.89 1wif s GLN 30 CO 0.01 -0.25 0.10 -0.08 -1.32 0.00 0.00 175.29 173.75 1wif s THR 31 N 2.32 0.14 -0.32 3.63 -1.32 -1.14 -4.97 115.64 113.98 1wif s THR 31 Ca -0.02 -1.13 -0.18 0.00 -1.21 0.00 0.00 61.69 59.16 1wif s THR 31 Cb -0.12 -0.95 -0.01 0.00 -1.51 0.00 0.00 72.50 69.91 1wif s THR 31 CO -0.11 -0.62 0.50 -0.54 -2.21 0.00 0.00 174.62 171.64 1wif s LYS 32 N -2.74 3.79 -0.18 7.08 3.01 -1.26 -2.61 119.74 126.83 1wif s LYS 32 Ca -0.04 -0.01 -0.16 0.00 -1.01 0.00 0.00 55.97 54.75 1wif s LYS 32 Cb -0.00 -3.75 -0.04 0.00 -1.01 0.00 0.00 37.83 33.03 1wif s LYS 32 CO -0.05 -0.52 0.38 -0.51 0.51 0.00 0.00 175.35 175.16 1wif s LEU 33 N 2.33 4.20 -0.92 3.17 1.43 -1.24 -4.93 118.68 122.72 1wif s LEU 33 Ca 0.19 0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 53.61 1wif s LEU 33 Cb -0.16 -2.51 0.04 0.00 0.03 0.00 0.00 46.19 43.60 1wif s LEU 33 CO 0.12 -0.02 1.41 -0.89 0.23 0.00 0.00 176.35 177.20 1wif s THR 34 N 0.98 3.84 -0.14 5.49 2.01 -1.26 -4.17 115.64 122.38 1wif s THR 34 Ca 0.19 -0.36 -0.41 0.00 0.31 0.00 0.00 61.69 61.42 1wif s THR 34 Cb -0.14 -4.97 -0.19 0.00 0.01 0.00 0.00 72.50 67.20 1wif s THR 34 CO 0.07 -1.88 1.28 0.52 -0.69 0.00 0.00 174.62 173.93 1wif n VAL 35 N 6.75 0.02 -2.83 3.82 0.31 -1.19 -4.49 118.33 120.72 1wif n VAL 35 Ca 0.23 -0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.36 1wif n VAL 35 Cb 0.50 -0.30 0.05 0.00 -0.91 0.00 0.00 33.84 33.19 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 1.05 1.81 0.29 2.92 0.00 -1.26 -1.06 107.32 111.07 1wif s GLY 36 Ca 0.94 -1.75 0.04 0.00 0.00 0.00 0.00 44.72 43.95 1wif s GLY 36 CO 0.63 -1.37 1.70 3.43 0.00 0.00 0.00 173.10 177.49 1wif h ASN 37 N 0.10 0.35 0.21 1.64 2.35 -1.93 0.78 115.58 119.07 1wif h ASN 37 Ca -0.37 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1wif h ASN 37 Cb 1.28 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.78 1wif h ASN 37 CO 0.44 0.01 -0.24 0.18 -1.65 0.00 0.00 177.43 176.17 1wif n LEU 38 N -5.03 1.10 -1.49 1.61 4.77 -1.26 -4.94 117.00 111.76 1wif n LEU 38 Ca 0.22 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1wif n LEU 38 Cb 0.65 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1wif n LEU 38 CO 0.13 0.20 -0.42 0.61 -1.33 0.00 0.00 177.39 176.58 1wif n GLY 39 N 1.33 -4.54 3.42 -0.72 0.00 0.27 -4.59 105.19 100.36 1wif n GLY 39 Ca 0.13 -0.72 -0.48 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.85 1.07 -1.73 0.99 -0.00 -1.26 -4.76 117.00 110.45 1wif n LEU 40 Ca 0.00 0.31 0.08 0.00 -0.00 0.00 0.00 56.01 56.40 1wif n LEU 40 Cb 0.00 -1.07 0.38 0.00 -0.00 0.00 0.00 43.42 42.74 1wif n LEU 40 CO 0.00 -0.83 0.85 0.61 -0.00 0.00 0.00 177.39 178.01 1wif n GLY 41 N 6.76 2.87 0.73 1.47 0.00 -1.26 -5.01 105.19 110.75 1wif n GLY 41 Ca 0.54 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 0.92 -0.07 -3.68 0.99 -0.00 -1.26 -4.65 117.00 109.24 1wif n LEU 42 Ca 0.27 0.24 -0.42 0.00 -0.00 0.00 0.00 56.01 56.10 1wif n LEU 42 Cb 1.03 -0.19 -0.00 0.00 -0.00 0.00 0.00 43.42 44.26 1wif n LEU 42 CO 0.28 -0.46 2.76 0.52 -0.00 0.00 0.00 177.39 180.49 1wif n VAL 43 N 0.23 3.56 -2.75 1.47 0.31 0.57 -4.86 118.33 116.87 1wif n VAL 43 Ca 0.04 -2.98 -0.33 0.00 -0.01 0.00 0.00 64.34 61.06 1wif n VAL 43 Cb 0.03 -2.61 -0.06 0.00 -0.91 0.00 0.00 33.84 30.29 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 3.04 4.49 0.37 2.52 0.11 -1.26 -1.93 120.40 127.75 1wif s VAL 44 Ca 0.50 1.29 0.04 0.00 -2.93 0.00 0.00 61.98 60.87 1wif s VAL 44 Cb 0.14 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.30 1wif s VAL 44 CO -0.09 -0.42 0.07 0.27 -3.33 0.00 0.00 175.10 171.60 1wif s ILE 45 N -2.29 1.12 -0.92 7.04 -4.36 -0.85 -4.80 121.20 116.14 1wif s ILE 45 Ca 0.59 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.82 1wif s ILE 45 Cb -0.09 -2.65 0.18 0.00 1.25 0.00 0.00 42.46 41.14 1wif s ILE 45 CO 0.20 0.00 1.00 -1.58 0.24 0.00 0.00 174.94 174.80 1wif s GLN 46 N -3.83 3.66 -0.19 0.37 -0.44 -1.26 -2.85 119.66 115.12 1wif s GLN 46 Ca 0.31 -2.17 0.01 0.00 -2.50 0.00 0.00 55.36 51.00 1wif s GLN 46 Cb 0.07 -4.71 0.02 0.00 -1.64 0.00 0.00 33.01 26.75 1wif s GLN 46 CO 0.14 -1.55 -0.18 1.21 0.50 0.00 0.00 175.29 175.41 1wif s ASN 47 N 2.87 3.35 0.41 6.67 2.47 -1.21 -4.99 114.94 124.50 1wif s ASN 47 Ca 0.27 -0.72 0.00 0.00 0.42 0.00 0.00 52.86 52.84 1wif s ASN 47 Cb -0.07 -1.50 0.00 0.00 -1.45 0.00 0.00 41.25 38.23 1wif s ASN 47 CO -0.09 -0.02 0.00 0.61 -3.72 0.00 0.00 177.10 173.88 1wif n GLY 48 N 4.61 -1.10 0.00 1.21 0.00 -1.26 -3.62 105.19 105.04 1wif n GLY 48 Ca -0.20 -1.19 0.07 0.00 0.00 0.00 0.00 46.02 44.70 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 0.14 -4.50 1.61 -0.04 -1.26 -4.77 135.00 125.76 1wif n PRO 49 Ca 0.00 0.18 -0.24 0.00 -0.04 0.00 0.00 63.50 63.40 1wif n PRO 49 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.71 1.83 -0.44 0.54 2.02 -1.24 -4.23 117.35 113.13 1wif s TYR 50 Ca 0.12 -1.16 -0.17 0.00 -0.37 0.00 0.00 57.07 55.49 1wif s TYR 50 Cb 0.10 -1.21 0.04 0.00 -0.40 0.00 0.00 41.96 40.49 1wif s TYR 50 CO 0.24 -0.18 0.42 -0.51 -1.57 0.00 0.00 175.55 173.95 1wif s LEU 51 N -3.57 5.08 -0.16 -1.29 1.43 -1.26 -3.33 118.68 115.58 1wif s LEU 51 Ca 0.28 -0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 1wif s LEU 51 Cb 0.05 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1wif s LEU 51 CO 0.14 -0.60 0.62 -1.10 0.23 0.00 0.00 176.35 175.63 1wif s GLN 52 N 2.00 4.28 -0.62 1.70 -0.21 -1.13 -3.92 119.66 121.76 1wif s GLN 52 Ca 0.09 0.64 -0.26 0.00 0.02 0.00 0.00 55.36 55.85 1wif s GLN 52 Cb -0.19 -3.53 -0.03 0.00 1.00 0.00 0.00 33.01 30.26 1wif s GLN 52 CO 0.11 -0.11 1.91 0.42 -2.12 0.00 0.00 175.29 175.50 1wif s ILE 53 N 1.47 3.33 0.21 1.08 1.01 -1.25 -2.00 121.20 125.05 1wif s ILE 53 Ca 0.30 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 61.03 1wif s ILE 53 Cb -0.16 -3.88 0.12 0.00 0.01 0.00 0.00 42.46 38.55 1wif s ILE 53 CO 0.12 -0.85 1.73 0.77 0.00 0.00 0.00 174.94 176.71 1wif h SER 54 N 15.06 1.02 -4.86 3.58 4.64 -1.78 -0.10 113.55 131.11 1wif h SER 54 Ca -0.24 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1wif h SER 54 Cb 1.16 -0.27 -0.19 0.00 -0.31 0.00 0.00 62.40 62.79 1wif h SER 54 CO 1.21 0.99 0.25 -2.28 -0.87 0.00 0.00 176.83 176.14 1wif s HIS 55 N -5.24 -0.60 -0.10 4.77 5.65 -0.81 -4.82 115.29 114.15 1wif s HIS 55 Ca -0.11 0.95 -0.03 0.00 0.25 0.00 0.00 55.06 56.12 1wif s HIS 55 Cb 0.15 0.43 -0.04 0.00 -1.18 0.00 0.00 32.58 31.95 1wif s HIS 55 CO 0.84 -0.59 0.04 -0.51 -0.65 0.00 0.00 174.74 173.87 1wif s LEU 56 N -1.36 3.78 -0.33 8.88 1.43 -1.26 0.21 118.68 130.03 1wif s LEU 56 Ca -0.08 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 1wif s LEU 56 Cb -0.00 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 1wif s LEU 56 CO 0.06 0.37 1.41 -0.63 0.23 0.00 0.00 176.35 177.79 1wif s ILE 57 N -0.83 3.96 0.17 -0.59 1.09 -1.26 -4.78 121.20 118.95 1wif s ILE 57 Ca 0.13 1.04 -0.23 0.00 -1.10 0.00 0.00 60.65 60.49 1wif s ILE 57 Cb -0.12 -4.09 0.07 0.00 -1.06 0.00 0.00 42.46 37.27 1wif s ILE 57 CO 0.03 -0.55 1.60 -1.13 -0.10 0.00 0.00 174.94 174.78 1wif h ASN 58 N 10.18 -1.09 0.00 3.58 -1.24 -1.97 -1.22 115.58 123.82 1wif h ASN 58 Ca -0.28 0.20 -0.13 0.00 0.71 0.00 0.00 56.30 56.79 1wif h ASN 58 Cb 1.11 0.52 -0.05 0.00 0.73 0.00 0.00 38.32 40.63 1wif h ASN 58 CO 1.05 -0.32 -0.18 0.29 -1.29 0.00 0.00 177.43 176.99 1wif n LYS 59 N -5.42 1.48 -0.03 6.67 5.02 -1.26 -4.40 118.16 120.23 1wif n LYS 59 Ca 0.02 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 1wif n LYS 59 Cb 0.34 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 2.51 4.99 0.13 0.72 0.00 -0.46 -4.82 105.19 108.26 1wif n GLY 60 Ca 0.30 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 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 1.12 0.18 4.61 0.00 -1.26 -3.87 120.51 118.28 1wif n ALA 61 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 53.44 52.42 1wif n ALA 61 Cb 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.38 -0.42 -0.00 0.00 0.00 -1.91 -1.43 119.26 115.11 1wif h ALA 62 Ca -0.54 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1wif h ALA 62 Cb 1.72 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1wif h ALA 62 CO -0.18 -0.74 0.00 0.00 0.00 0.00 0.00 179.25 178.33 1wif h ALA 63 N 0.28 1.55 -0.01 0.00 0.00 -1.80 0.16 119.26 119.44 1wif h ALA 63 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wif h ALA 63 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wif h ALA 63 CO 0.03 -0.01 -0.03 0.43 0.00 0.00 0.00 179.25 179.67 1wif n SER 64 N -3.87 1.26 -4.39 0.00 7.64 -0.76 -4.76 113.62 108.74 1wif n SER 64 Ca -0.03 -1.35 -0.38 0.00 1.01 0.00 0.00 58.87 58.13 1wif n SER 64 Cb 0.09 0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.08 5.29 0.00 6.43 -1.08 0.57 -4.98 116.67 120.83 1wif s ASP 65 Ca 0.37 -0.61 -0.02 0.00 -0.52 0.00 0.00 52.55 51.76 1wif s ASP 65 Cb 0.21 -1.93 -0.11 0.00 -1.46 0.00 0.00 42.92 39.63 1wif s ASP 65 CO 0.36 -0.19 2.54 0.61 0.52 0.00 0.00 175.17 179.02 1wif n GLY 66 N 4.92 2.58 0.00 2.66 0.00 -1.26 -3.22 105.19 110.87 1wif n GLY 66 Ca -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.60 -0.61 2.08 -1.26 -5.05 119.36 112.88 1wif n ILE 67 Ca 0.18 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 63.12 1wif n ILE 67 Cb 0.64 -0.25 -0.08 0.00 -0.75 0.00 0.00 39.64 39.20 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 -2.37 4.16 0.15 1.39 1.43 -1.20 -4.94 118.68 117.30 1wif s LEU 68 Ca 0.00 0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 1wif s LEU 68 Cb 0.00 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1wif s LEU 68 CO 0.00 0.06 -0.11 0.00 0.23 0.00 0.00 176.35 176.53 1wif s GLN 69 N 0.89 2.01 -1.17 1.70 -2.07 -1.26 -4.88 119.66 114.88 1wif s GLN 69 Ca 0.11 -1.20 -0.23 0.00 -1.82 0.00 0.00 55.36 52.22 1wif s GLN 69 Cb -0.13 -2.18 -0.08 0.00 -1.09 0.00 0.00 33.01 29.52 1wif s GLN 69 CO 0.04 0.46 1.93 -1.25 -1.32 0.00 0.00 175.29 175.15 1wif s PRO 70 N -2.55 2.50 0.00 9.60 0.04 -1.26 -3.39 135.00 139.95 1wif s PRO 70 Ca 0.23 -1.12 0.00 0.00 0.04 0.00 0.00 61.00 60.14 1wif s PRO 70 Cb -0.10 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1wif s PRO 70 CO 0.14 -3.94 0.00 0.41 0.04 0.00 0.00 177.00 173.64 1wif n GLY 71 N 5.87 0.00 0.00 0.56 0.00 -0.05 -4.69 105.19 106.87 1wif n GLY 71 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.31 -3.49 1.61 5.68 -1.22 -4.84 116.55 114.60 1wif n ASP 72 Ca 0.00 -0.85 -0.29 0.00 -0.50 0.00 0.00 54.79 53.15 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 0.86 0.38 0.40 2.12 1.01 -0.90 -3.96 120.40 120.31 1wif s VAL 73 Ca 0.00 -1.98 -0.24 0.00 0.00 0.00 0.00 61.98 59.76 1wif s VAL 73 Cb 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 36.38 34.98 1wif s VAL 73 CO 0.00 -1.01 0.91 0.18 0.00 0.00 0.00 175.10 175.18 1wif n LEU 74 N 3.80 1.92 -0.32 3.92 7.99 -1.25 -2.12 117.00 130.93 1wif n LEU 74 Ca 0.14 1.03 0.00 0.00 -0.01 0.00 0.00 56.01 57.17 1wif n LEU 74 Cb 0.38 -1.29 0.00 0.00 -0.11 0.00 0.00 43.42 42.40 1wif n LEU 74 CO 0.15 -1.78 0.25 -0.38 -1.51 0.00 0.00 177.39 174.12 1wif n ILE 75 N -0.47 0.01 0.00 -0.08 -0.00 0.30 -4.08 119.36 115.03 1wif n ILE 75 Ca 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 1wif n ILE 75 Cb 0.38 0.67 0.00 0.00 -0.00 0.00 0.00 39.64 40.69 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 -0.00 0.00 -4.47 4.38 3.41 -1.25 -4.30 113.62 111.38 1wif n SER 76 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1wif n SER 76 Cb 0.63 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 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 4.46 -0.07 -3.33 1.01 -1.00 -3.76 120.40 117.71 1wif s VAL 77 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 1wif s VAL 77 Cb 0.00 -4.56 -0.00 0.00 0.00 0.00 0.00 36.38 31.82 1wif s VAL 77 CO 0.00 -1.21 0.06 0.61 0.00 0.00 0.00 175.10 174.55 1wif n GLY 78 N 5.22 0.60 2.10 4.51 0.00 -1.23 -3.55 105.19 112.85 1wif n GLY 78 Ca -0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.40 -0.31 -3.99 1.61 -0.00 -1.26 -4.87 115.22 104.99 1wif n HIS 79 Ca -0.01 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.86 1wif n HIS 79 Cb 0.51 -2.12 -0.15 0.00 -0.12 0.00 0.00 29.99 28.11 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 -1.60 2.66 -0.38 1.57 0.00 -1.23 -5.07 121.76 117.72 1wif s ALA 80 Ca 0.00 -2.29 -0.37 0.00 0.00 0.00 0.00 51.96 49.30 1wif s ALA 80 Cb 0.00 -1.86 -0.13 0.00 0.00 0.00 0.00 23.12 21.13 1wif s ALA 80 CO 0.00 -1.60 2.17 -1.71 0.00 0.00 0.00 175.76 174.62 1wif n ASN 81 N 4.36 1.85 -0.92 0.00 2.85 -1.26 -2.39 115.26 119.75 1wif n ASN 81 Ca 0.00 0.48 0.07 0.00 -0.11 0.00 0.00 54.58 55.03 1wif n ASN 81 Cb 0.42 -1.19 0.22 0.00 1.24 0.00 0.00 39.78 40.48 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 7.01 1.33 -0.38 3.44 0.24 -1.26 -4.68 118.33 124.03 1wif n VAL 82 Ca 0.44 -1.17 -0.10 0.00 -2.04 0.00 0.00 64.34 61.47 1wif n VAL 82 Cb 0.17 0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 32.79 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 2.61 -2.02 -3.28 1.34 6.46 -1.79 0.20 115.31 118.83 1wif h LEU 83 Ca 0.00 0.32 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 1wif h LEU 83 Cb 0.99 0.90 0.00 0.00 -0.73 0.00 0.00 40.66 41.82 1wif h LEU 83 CO 0.07 -0.26 0.00 0.61 -0.62 0.00 0.00 178.44 178.24 1wif n GLY 84 N -1.30 3.18 3.71 3.75 0.00 -1.26 -4.07 105.19 109.21 1wif n GLY 84 Ca 0.02 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.31 2.87 0.20 1.61 1.51 0.06 -4.97 117.35 116.32 1wif s TYR 85 Ca 0.47 0.42 -0.24 0.00 -1.01 0.00 0.00 57.07 56.71 1wif s TYR 85 Cb 0.34 -4.05 -0.08 0.00 -0.11 0.00 0.00 41.96 38.05 1wif s TYR 85 CO 0.17 -4.00 0.78 0.95 -1.11 0.00 0.00 175.55 172.34 1wif s THR 86 N 1.39 4.40 0.29 -0.71 -4.23 -1.26 -4.56 115.64 110.95 1wif s THR 86 Ca 0.73 1.60 0.19 0.00 -1.18 0.00 0.00 61.69 63.04 1wif s THR 86 Cb -0.47 -4.05 0.30 0.00 1.34 0.00 0.00 72.50 69.62 1wif s THR 86 CO 0.32 0.39 1.12 -0.11 -0.54 0.00 0.00 174.62 175.80 1wif n LEU 87 N 1.23 0.20 0.04 4.79 7.94 -1.26 0.16 117.00 130.11 1wif n LEU 87 Ca -0.04 1.09 -0.12 0.00 -1.11 0.00 0.00 56.01 55.83 1wif n LEU 87 Cb 0.49 -0.53 -0.09 0.00 0.53 0.00 0.00 43.42 43.82 1wif n LEU 87 CO 0.45 -1.21 0.55 0.03 -1.11 0.00 0.00 177.39 176.11 1wif h ARG 88 N 0.00 -0.14 0.00 1.96 3.08 -2.00 -2.33 114.38 114.95 1wif h ARG 88 Ca 0.61 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.66 1wif h ARG 88 Cb 1.79 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.87 1wif h ARG 88 CO -0.45 0.29 -0.08 0.93 -1.07 0.00 0.00 179.97 179.60 1wif h GLU 89 N -0.65 0.00 0.10 0.04 5.08 0.13 -2.34 114.58 116.93 1wif h GLU 89 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1wif h GLU 89 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1wif h GLU 89 CO 0.03 0.08 -0.05 0.35 -1.00 0.00 0.00 179.01 178.42 1wif h PHE 90 N 0.00 -0.12 -1.05 4.33 3.57 -0.41 -1.97 116.94 121.28 1wif h PHE 90 Ca -0.00 -0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.78 1wif h PHE 90 Cb 0.21 0.04 -0.12 0.00 2.79 0.00 0.00 35.95 38.88 1wif h PHE 90 CO 0.00 -0.08 0.64 -0.07 -2.23 0.00 0.00 178.31 176.58 1wif h LEU 91 N -0.29 0.52 -1.03 0.59 -0.00 -1.42 1.05 115.31 114.74 1wif h LEU 91 Ca -0.01 0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.91 1wif h LEU 91 Cb 0.10 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1wif h LEU 91 CO 0.02 0.04 -0.38 0.07 -0.00 0.00 0.00 178.44 178.19 1wif h LYS 92 N 0.43 0.00 0.25 1.13 5.09 -1.50 -2.42 116.57 119.54 1wif h LYS 92 Ca 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 61.38 1wif h LYS 92 Cb 1.52 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.85 1wif h LYS 92 CO -0.42 0.38 -0.12 1.25 -2.09 0.00 0.00 179.45 178.45 1wif h LEU 93 N 0.00 -0.28 -1.85 7.07 5.85 0.19 -3.28 115.31 123.01 1wif h LEU 93 Ca -0.00 0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1wif h LEU 93 Cb 0.85 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1wif h LEU 93 CO 0.05 0.00 0.46 -0.07 -0.34 0.00 0.00 178.44 178.55 1wif h LEU 94 N -0.74 0.14 -0.99 2.25 -0.00 -1.42 0.32 115.31 114.86 1wif h LEU 94 Ca -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1wif h LEU 94 Cb 0.25 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1wif h LEU 94 CO 0.06 0.07 0.00 0.00 -0.00 0.00 0.00 178.44 178.56 1wif n GLN 95 N -4.40 0.10 -0.11 1.13 1.13 -0.91 -0.07 117.38 114.25 1wif n GLN 95 Ca 0.13 0.58 0.12 0.00 -1.94 0.00 0.00 57.00 55.89 1wif n GLN 95 Cb 0.64 -1.83 0.24 0.00 0.11 0.00 0.00 30.24 29.40 1wif n GLN 95 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1wif n ASN 96 N -2.04 2.89 -4.86 1.08 3.02 0.11 -4.94 115.26 110.52 1wif n ASN 96 Ca -0.01 -1.91 -0.33 0.00 -0.03 0.00 0.00 54.58 52.31 1wif n ASN 96 Cb 0.04 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.70 4.80 0.19 2.41 -1.09 0.90 -5.09 121.20 121.62 1wif s ILE 97 Ca 0.35 0.73 0.02 0.00 -2.23 0.00 0.00 60.65 59.52 1wif s ILE 97 Cb 0.21 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 1wif s ILE 97 CO 0.30 -0.09 0.34 -0.89 -1.23 0.00 0.00 174.94 173.38 1wif s THR 98 N -1.85 5.27 0.42 2.92 2.01 -1.26 -5.06 115.64 118.08 1wif s THR 98 Ca 0.49 -0.60 -0.26 0.00 0.31 0.00 0.00 61.69 61.64 1wif s THR 98 Cb -0.11 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 1wif s THR 98 CO 0.19 -0.17 1.32 -0.63 -0.69 0.00 0.00 174.62 174.65 1wif s ILE 99 N -1.84 2.50 -0.78 1.82 1.01 -1.26 -3.49 121.20 119.17 1wif s ILE 99 Ca 0.36 0.44 -0.01 0.00 0.00 0.00 0.00 60.65 61.45 1wif s ILE 99 Cb -0.11 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1wif s ILE 99 CO 0.29 0.06 0.66 0.61 0.00 0.00 0.00 174.94 176.55 1wif n GLY 100 N 0.64 -0.07 3.28 6.18 0.00 -0.23 -4.99 105.19 110.01 1wif n GLY 100 Ca 0.04 -0.10 -0.30 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 -3.23 1.92 -0.28 2.61 2.01 -1.23 -4.92 115.64 112.53 1wif s THR 101 Ca 0.04 -1.07 -0.16 0.00 0.31 0.00 0.00 61.69 60.80 1wif s THR 101 Cb -0.02 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1wif s THR 101 CO 0.47 0.51 0.44 0.54 -0.69 0.00 0.00 174.62 175.90 1wif s VAL 102 N -0.60 5.12 0.18 3.82 0.11 -1.26 -3.18 120.40 124.59 1wif s VAL 102 Ca 0.09 0.66 0.09 0.00 -2.93 0.00 0.00 61.98 59.89 1wif s VAL 102 Cb -0.09 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 1wif s VAL 102 CO -0.01 0.09 -0.18 -0.76 -3.33 0.00 0.00 175.10 170.91 1wif s LEU 103 N 2.20 2.47 -0.60 2.54 2.01 -1.26 -5.03 118.68 121.00 1wif s LEU 103 Ca 0.18 -0.90 -0.14 0.00 0.01 0.00 0.00 54.13 53.28 1wif s LEU 103 Cb -0.16 -0.83 0.15 0.00 0.01 0.00 0.00 46.19 45.36 1wif s LEU 103 CO 0.10 -0.04 0.54 -1.58 1.01 0.00 0.00 176.35 176.37 1wif s GLN 104 N -2.97 3.05 -0.70 1.70 0.74 -1.26 -3.69 119.66 116.52 1wif s GLN 104 Ca 0.18 -1.94 -0.21 0.00 0.05 0.00 0.00 55.36 53.44 1wif s GLN 104 Cb -0.05 -4.25 0.09 0.00 1.10 0.00 0.00 33.01 29.90 1wif s GLN 104 CO 0.07 -1.29 0.95 0.42 -0.55 0.00 0.00 175.29 174.89 1wif s ILE 105 N 1.14 4.50 -0.34 -2.34 -1.09 -1.07 -3.49 121.20 118.52 1wif s ILE 105 Ca 0.08 -0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 57.61 1wif s ILE 105 Cb -0.24 -4.67 -0.01 0.00 -1.58 0.00 0.00 42.46 35.96 1wif s ILE 105 CO -0.01 -1.41 0.35 -0.75 -1.23 0.00 0.00 174.94 171.90 1wif s LYS 106 N 3.52 3.59 0.03 2.79 2.20 -1.25 -2.87 119.74 127.75 1wif s LYS 106 Ca 0.22 -0.40 0.03 0.00 -0.36 0.00 0.00 55.97 55.45 1wif s LYS 106 Cb -0.16 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.35 1wif s LYS 106 CO 0.05 -0.50 -0.08 0.00 -0.36 0.00 0.00 175.35 174.46 1wif s ALA 107 N 1.99 0.65 -0.02 3.13 0.00 0.72 0.11 121.76 128.35 1wif s ALA 107 Ca 0.11 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 1wif s ALA 107 Cb -0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 1wif s ALA 107 CO 0.11 0.05 0.50 0.71 0.00 0.00 0.00 175.76 177.14 1wif s TYR 108 N -0.99 3.67 -0.63 0.00 2.02 -0.90 -1.28 117.35 119.24 1wif s TYR 108 Ca -0.05 1.06 0.01 0.00 -0.37 0.00 0.00 57.07 57.72 1wif s TYR 108 Cb -0.08 -2.48 0.41 0.00 -0.40 0.00 0.00 41.96 39.41 1wif s TYR 108 CO 0.00 0.42 1.70 -2.13 -1.57 0.00 0.00 175.55 173.98 1wif n ARG 109 N 2.57 3.02 0.00 -0.62 0.63 -1.26 -2.11 116.66 118.88 1wif n ARG 109 Ca -0.10 -3.79 0.00 0.00 -0.92 0.00 0.00 57.85 53.05 1wif n ARG 109 Cb 0.51 -2.27 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1wif n ARG 109 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wif n GLY 110 N -0.64 0.00 0.50 5.14 0.00 -1.26 -4.85 105.19 104.08 1wif n GLY 110 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.83 1.61 -0.00 -1.26 -4.98 117.46 109.00 1wif n PHE 111 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.24 1wif n PHE 111 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.46 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 -4.71 4.22 0.19 -2.13 0.05 -1.26 -5.10 118.68 109.94 1wif s LEU 112 Ca 0.00 0.02 -0.14 0.00 0.05 0.00 0.00 54.13 54.06 1wif s LEU 112 Cb 0.00 -2.85 -0.07 0.00 -2.05 0.00 0.00 46.19 41.22 1wif s LEU 112 CO 0.00 -0.17 0.58 -1.61 -0.55 0.00 0.00 176.35 174.60 1wif s GLU 113 N -4.04 3.96 0.01 1.48 2.02 -1.26 -5.06 118.70 115.81 1wif s GLU 113 Ca 0.37 0.48 -0.25 0.00 0.02 0.00 0.00 54.97 55.59 1wif s GLU 113 Cb -0.09 -2.82 -0.05 0.00 0.10 0.00 0.00 34.13 31.27 1wif s GLU 113 CO 0.30 0.41 0.76 0.42 0.02 0.00 0.00 175.26 177.16 1wif s ILE 114 N -1.60 4.84 -0.24 -1.63 1.01 -1.26 -5.01 121.20 117.31 1wif s ILE 114 Ca 0.42 1.60 -0.29 0.00 0.00 0.00 0.00 60.65 62.38 1wif s ILE 114 Cb -0.14 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1wif s ILE 114 CO 0.20 0.32 1.62 -2.16 0.00 0.00 0.00 174.94 174.92 1wif s PRO 115 N 0.26 3.75 0.19 2.79 0.04 -1.26 -4.91 135.00 135.86 1wif s PRO 115 Ca 0.39 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.83 1wif s PRO 115 Cb -0.20 -4.05 0.13 0.00 0.04 0.00 0.00 34.50 30.42 1wif s PRO 115 CO 0.22 -1.35 1.58 1.96 0.04 0.00 0.00 177.00 179.45 1wif h GLN 116 N 10.91 -0.15 -1.29 4.56 1.08 -1.98 0.45 115.11 128.70 1wif h GLN 116 Ca -0.33 0.01 0.37 0.00 -1.45 0.00 0.00 58.65 57.25 1wif h GLN 116 Cb 1.15 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.56 1wif h GLN 116 CO 1.01 -0.10 1.18 0.39 -0.95 0.00 0.00 178.83 180.36 1wif n GLU 117 N -5.43 0.01 -1.52 1.46 1.02 -1.26 0.64 120.64 115.55 1wif n GLU 117 Ca 0.05 0.94 -0.30 0.00 -0.02 0.00 0.00 57.16 57.82 1wif n GLU 117 Cb 0.36 -2.27 -0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1wif n GLU 117 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1wif n TRP 118 N -3.32 2.18 -3.74 -0.32 7.02 0.16 -4.87 117.44 114.54 1wif n TRP 118 Ca 0.29 -2.18 -0.12 0.00 -1.02 0.00 0.00 57.50 54.47 1wif n TRP 118 Cb 1.56 -1.28 -0.12 0.00 -2.42 0.00 0.00 31.31 29.06 1wif n TRP 118 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1wif s GLN 119 N -2.66 0.26 0.00 -0.99 -0.21 0.21 -4.94 119.66 111.33 1wif s GLN 119 Ca 0.54 0.50 0.00 0.00 0.02 0.00 0.00 55.36 56.41 1wif s GLN 119 Cb 0.40 -0.01 0.00 0.00 1.00 0.00 0.00 33.01 34.40 1wif s GLN 119 CO -0.23 -0.11 0.00 -3.47 -2.12 0.00 0.00 175.29 169.36 1wif n ASP 120 N 3.74 1.94 -0.04 5.90 -0.08 -1.26 -4.85 116.55 121.89 1wif n ASP 120 Ca -0.20 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 52.95 1wif n ASP 120 Cb 0.55 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.90 1wif n ASP 120 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1wif h SER 121 N 0.00 -0.02 -4.23 1.67 0.02 -2.00 -3.46 113.55 105.52 1wif h SER 121 Ca 0.00 -0.72 -0.52 0.00 -0.84 0.00 0.00 61.79 59.71 1wif h SER 121 Cb 0.78 0.01 0.15 0.00 0.14 0.00 0.00 62.40 63.47 1wif h SER 121 CO 0.00 0.74 0.34 -0.83 -1.14 0.00 0.00 176.83 175.94 1wif s GLY 122 N -3.75 2.02 -0.10 -3.77 0.00 -1.26 -4.93 107.32 95.53 1wif s GLY 122 Ca -0.17 0.61 -0.29 0.00 0.00 0.00 0.00 44.72 44.87 1wif s GLY 122 CO 0.64 1.00 1.52 2.56 0.00 0.00 0.00 173.10 178.81 1wif s PRO 123 N -4.32 4.19 0.04 2.90 0.04 -1.26 -4.86 135.00 131.73 1wif s PRO 123 Ca 0.68 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1wif s PRO 123 Cb -0.23 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1wif s PRO 123 CO 0.49 -0.81 0.00 -1.13 0.04 0.00 0.00 177.00 175.60 1wif n SER 124 N 6.98 0.23 0.00 6.66 3.41 -1.26 -4.93 113.62 124.71 1wif n SER 124 Ca 0.16 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1wif n SER 124 Cb 0.43 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1wif n SER 124 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wif n SER 125 N -2.78 0.60 0.00 4.04 3.41 -1.26 -5.17 113.62 112.46 1wif n SER 125 Ca 0.00 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1wif n SER 125 Cb 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1wif n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49