#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 0.92 0.09 1.61 1.04 -1.26 -5.15 113.70 110.95 1wif s SER 2 Ca 0.00 -0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 1wif s SER 2 Cb 0.00 -0.34 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 1wif s SER 2 CO 0.00 -0.00 0.06 -0.55 0.98 0.00 0.00 173.24 173.72 1wif s SER 3 N 0.54 0.34 0.00 7.02 0.15 -1.26 -5.15 113.70 115.34 1wif s SER 3 Ca -0.07 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1wif s SER 3 Cb -0.11 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1wif s SER 3 CO 0.00 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1wif n GLY 4 N 0.00 2.84 3.47 9.45 0.00 -1.26 -5.19 105.19 114.50 1wif n GLY 4 Ca -0.12 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -0.33 0.27 1.61 1.04 -1.26 -5.10 113.70 109.93 1wif s SER 5 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1wif s SER 5 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1wif s SER 5 CO 0.00 -1.01 0.00 -1.20 0.98 0.00 0.00 173.24 172.01 1wif n SER 6 N -0.33 -0.27 0.00 7.02 7.64 -1.26 -5.15 113.62 121.27 1wif n SER 6 Ca -0.13 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1wif n SER 6 Cb 0.63 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 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 1.42 4.65 3.66 0.23 0.00 -1.26 -5.07 105.19 108.81 1wif n GLY 7 Ca 0.00 -1.88 -0.44 0.00 0.00 0.00 0.00 46.02 43.71 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 2.27 -3.88 1.61 2.88 -1.26 -4.92 113.62 110.31 1wif n SER 8 Ca 0.00 1.19 -0.37 0.00 -1.33 0.00 0.00 58.87 58.36 1wif n SER 8 Cb 0.00 -1.41 -0.03 0.00 -0.75 0.00 0.00 64.21 62.02 1wif n SER 8 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wif n LYS 9 N 0.79 3.55 -3.61 -1.46 5.02 -1.26 -4.76 118.16 116.43 1wif n LYS 9 Ca 0.07 -4.57 -0.06 0.00 -2.02 0.00 0.00 58.31 51.73 1wif n LYS 9 Cb 0.34 -2.43 -0.04 0.00 -0.02 0.00 0.00 35.03 32.88 1wif n LYS 9 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1wif s ASN 10 N -1.48 -0.19 0.24 4.39 2.47 -1.26 -5.16 114.94 113.96 1wif s ASN 10 Ca 0.33 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.79 1wif s ASN 10 Cb 0.05 0.16 0.00 0.00 -1.45 0.00 0.00 41.25 40.00 1wif s ASN 10 CO 0.02 -0.19 0.00 -0.62 -3.72 0.00 0.00 177.10 172.59 1wif n GLU 11 N 0.53 -0.63 -1.11 0.43 1.02 -1.26 -4.62 120.64 115.01 1wif n GLU 11 Ca -0.04 0.42 -0.36 0.00 -0.02 0.00 0.00 57.16 57.15 1wif n GLU 11 Cb 0.58 -0.77 0.05 0.00 -0.02 0.00 0.00 31.44 31.28 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 -1.43 0.05 -1.55 3.49 4.76 -1.26 -4.60 118.16 117.62 1wif n LYS 12 Ca 0.00 0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.34 1wif n LYS 12 Cb 0.14 -1.34 -0.09 0.00 -1.84 0.00 0.00 35.03 31.90 1wif n LYS 12 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wif n GLU 13 N 0.81 0.44 -3.81 1.97 4.71 -1.26 -4.84 120.64 118.66 1wif n GLU 13 Ca 0.05 -0.83 -0.12 0.00 -0.01 0.00 0.00 57.16 56.25 1wif n GLU 13 Cb 0.52 -3.39 -0.10 0.00 -1.01 0.00 0.00 31.44 27.46 1wif n GLU 13 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1wif s GLN 14 N 8.63 0.53 -0.02 3.49 0.74 -1.26 -5.10 119.66 126.68 1wif s GLN 14 Ca 0.95 -0.20 -0.03 0.00 0.05 0.00 0.00 55.36 56.13 1wif s GLN 14 Cb -0.20 0.23 -0.01 0.00 1.10 0.00 0.00 33.01 34.13 1wif s GLN 14 CO 0.15 -0.13 -0.05 1.28 -0.55 0.00 0.00 175.29 175.98 1wif n LEU 15 N 1.60 0.41 -3.67 3.68 7.99 -1.26 -4.26 117.00 121.48 1wif n LEU 15 Ca -0.21 0.06 -0.01 0.00 -0.01 0.00 0.00 56.01 55.84 1wif n LEU 15 Cb 0.56 -0.38 -0.01 0.00 -0.11 0.00 0.00 43.42 43.48 1wif n LEU 15 CO 0.21 -0.49 0.90 -0.94 -1.51 0.00 0.00 177.39 175.56 1wif s SER 16 N -4.76 -0.12 0.69 -1.43 1.04 -1.26 -4.83 113.70 103.03 1wif s SER 16 Ca -0.05 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.04 1wif s SER 16 Cb 0.01 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1wif s SER 16 CO 0.07 -0.56 1.06 -0.54 0.98 0.00 0.00 173.24 174.25 1wif s LYS 17 N -2.81 2.91 -0.58 4.02 -0.14 -1.26 -5.03 119.74 116.85 1wif s LYS 17 Ca 0.13 0.99 0.04 0.00 -1.36 0.00 0.00 55.97 55.77 1wif s LYS 17 Cb 0.02 -1.99 0.17 0.00 -1.68 0.00 0.00 37.83 34.35 1wif s LYS 17 CO -0.02 -1.12 0.42 0.00 -0.76 0.00 0.00 175.35 173.87 1wif s ALA 18 N -2.99 2.80 0.38 5.17 0.00 -1.26 -5.08 121.76 120.78 1wif s ALA 18 Ca 0.59 -3.23 -0.08 0.00 0.00 0.00 0.00 51.96 49.24 1wif s ALA 18 Cb -0.14 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.07 1wif s ALA 18 CO 0.54 -2.05 0.64 1.63 0.00 0.00 0.00 175.76 176.51 1wif n LYS 19 N 2.42 0.91 -3.97 0.00 4.76 -1.26 -5.19 118.16 115.83 1wif n LYS 19 Ca 0.23 -2.59 -0.09 0.00 -2.87 0.00 0.00 58.31 52.98 1wif n LYS 19 Cb 0.40 2.78 -0.06 0.00 -1.84 0.00 0.00 35.03 36.31 1wif n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wif s ALA 20 N -2.48 -0.17 -0.18 7.82 0.00 -1.26 -5.07 121.76 120.42 1wif s ALA 20 Ca 0.24 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.41 1wif s ALA 20 Cb -0.03 1.00 0.21 0.00 0.00 0.00 0.00 23.12 24.31 1wif s ALA 20 CO 0.17 -0.77 1.08 0.43 0.00 0.00 0.00 175.76 176.67 1wif n SER 21 N -0.32 -0.91 -4.91 0.00 7.64 -1.26 -5.15 113.62 108.72 1wif n SER 21 Ca -0.04 -1.70 -0.27 0.00 1.01 0.00 0.00 58.87 57.86 1wif n SER 21 Cb 0.63 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 1wif n SER 21 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wif s VAL 22 N 0.07 4.86 -0.28 0.44 0.11 -1.26 -5.03 120.40 119.31 1wif s VAL 22 Ca 0.05 0.20 0.20 0.00 -2.93 0.00 0.00 61.98 59.50 1wif s VAL 22 Cb 0.24 -3.85 0.48 0.00 -1.53 0.00 0.00 36.38 31.71 1wif s VAL 22 CO -0.07 -0.84 1.23 -1.20 -3.33 0.00 0.00 175.10 170.89 1wif n SER 23 N -2.28 0.70 -2.87 3.54 7.64 -1.26 -4.97 113.62 114.12 1wif n SER 23 Ca 0.01 -2.08 -0.13 0.00 1.01 0.00 0.00 58.87 57.68 1wif n SER 23 Cb 0.55 -0.15 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 1wif n SER 23 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wif n SER 24 N -0.85 -2.67 -4.50 6.43 2.88 -1.26 -4.85 113.62 108.79 1wif n SER 24 Ca -0.00 0.04 -0.35 0.00 -1.33 0.00 0.00 58.87 57.23 1wif n SER 24 Cb 0.83 -2.31 0.09 0.00 -0.75 0.00 0.00 64.21 62.07 1wif n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wif n LEU 25 N -3.03 1.35 -3.95 2.46 -0.00 -1.26 -5.00 117.00 107.56 1wif n LEU 25 Ca -0.04 0.53 -0.31 0.00 -0.00 0.00 0.00 56.01 56.19 1wif n LEU 25 Cb 0.54 -1.28 -0.15 0.00 -0.00 0.00 0.00 43.42 42.53 1wif n LEU 25 CO 0.26 -2.94 -0.43 0.54 -0.00 0.00 0.00 177.39 174.83 1wif s ASN 26 N -1.73 3.94 -0.06 1.45 2.20 -1.26 -5.11 114.94 114.37 1wif s ASN 26 Ca 0.65 -1.22 0.06 0.00 -0.94 0.00 0.00 52.86 51.40 1wif s ASN 26 Cb -0.30 -1.23 -0.01 0.00 -2.00 0.00 0.00 41.25 37.71 1wif s ASN 26 CO 0.59 -0.23 -0.25 -0.75 -2.94 0.00 0.00 177.10 173.52 1wif s LYS 27 N 1.35 2.56 -0.09 3.55 2.20 -1.26 -5.13 119.74 122.92 1wif s LYS 27 Ca -0.06 -0.89 -0.01 0.00 -0.36 0.00 0.00 55.97 54.66 1wif s LYS 27 Cb -0.19 -2.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.96 1wif s LYS 27 CO -0.06 0.35 -0.05 0.08 -0.36 0.00 0.00 175.35 175.31 1wif s VAL 28 N -0.10 3.88 -0.09 4.02 1.01 -1.26 -4.54 120.40 123.32 1wif s VAL 28 Ca -0.05 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 1wif s VAL 28 Cb -0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1wif s VAL 28 CO 0.04 0.57 0.64 -0.63 0.00 0.00 0.00 175.10 175.73 1wif s ILE 29 N -0.53 5.08 -0.17 2.22 -1.09 -0.55 -4.97 121.20 121.18 1wif s ILE 29 Ca 0.08 1.30 -0.06 0.00 -2.23 0.00 0.00 60.65 59.75 1wif s ILE 29 Cb -0.12 -3.98 0.08 0.00 -1.58 0.00 0.00 42.46 36.86 1wif s ILE 29 CO 0.02 0.25 0.36 0.00 -1.23 0.00 0.00 174.94 174.34 1wif s GLN 30 N 0.89 0.25 0.03 2.79 -2.07 -1.26 -0.55 119.66 119.75 1wif s GLN 30 Ca 0.34 0.92 -0.07 0.00 -1.82 0.00 0.00 55.36 54.73 1wif s GLN 30 Cb -0.17 0.18 -0.00 0.00 -1.09 0.00 0.00 33.01 31.93 1wif s GLN 30 CO 0.15 -0.27 0.13 -0.08 -1.32 0.00 0.00 175.29 173.90 1wif s THR 31 N 2.54 0.12 -0.26 3.63 -1.32 -1.18 -4.96 115.64 114.21 1wif s THR 31 Ca -0.00 -0.96 -0.13 0.00 -1.21 0.00 0.00 61.69 59.39 1wif s THR 31 Cb -0.12 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 1wif s THR 31 CO -0.11 -0.53 0.27 -0.54 -2.21 0.00 0.00 174.62 171.50 1wif s LYS 32 N -2.33 4.02 0.02 7.08 3.01 -1.26 -2.80 119.74 127.49 1wif s LYS 32 Ca -0.07 -0.13 -0.01 0.00 -1.01 0.00 0.00 55.97 54.75 1wif s LYS 32 Cb -0.03 -3.62 -0.04 0.00 -1.01 0.00 0.00 37.83 33.14 1wif s LYS 32 CO -0.03 -0.14 0.14 -0.51 0.51 0.00 0.00 175.35 175.32 1wif s LEU 33 N 1.66 4.15 -0.66 3.17 1.43 -1.25 -4.94 118.68 122.24 1wif s LEU 33 Ca 0.11 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 1wif s LEU 33 Cb -0.15 -2.58 0.08 0.00 0.03 0.00 0.00 46.19 43.57 1wif s LEU 33 CO 0.09 0.23 0.92 -0.89 0.23 0.00 0.00 176.35 176.93 1wif s THR 34 N -1.34 4.47 -0.33 5.49 2.01 -1.26 -4.19 115.64 120.49 1wif s THR 34 Ca 0.28 -0.61 -0.33 0.00 0.31 0.00 0.00 61.69 61.34 1wif s THR 34 Cb -0.12 -4.65 -0.10 0.00 0.01 0.00 0.00 72.50 67.64 1wif s THR 34 CO 0.20 -1.39 2.22 0.52 -0.69 0.00 0.00 174.62 175.48 1wif n VAL 35 N 5.80 0.21 -1.59 3.82 0.31 -1.24 -4.43 118.33 121.22 1wif n VAL 35 Ca -0.03 -0.33 -0.29 0.00 -0.01 0.00 0.00 64.34 63.68 1wif n VAL 35 Cb 0.45 -1.91 0.15 0.00 -0.91 0.00 0.00 33.84 31.62 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 7.83 1.61 0.29 2.92 0.00 -1.26 0.46 107.32 119.17 1wif s GLY 36 Ca 1.07 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 45.14 1wif s GLY 36 CO 0.44 -0.08 1.67 3.43 0.00 0.00 0.00 173.10 178.57 1wif h ASN 37 N -1.59 0.20 0.77 1.64 2.35 -1.94 1.09 115.58 118.09 1wif h ASN 37 Ca -0.48 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1wif h ASN 37 Cb 1.31 0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.88 1wif h ASN 37 CO 0.55 -0.09 -0.30 0.18 -1.65 0.00 0.00 177.43 176.12 1wif n LEU 38 N -5.13 0.35 -0.99 1.61 4.77 -1.26 -4.95 117.00 111.40 1wif n LEU 38 Ca 0.23 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1wif n LEU 38 Cb 0.70 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1wif n LEU 38 CO 0.09 0.05 -0.27 0.61 -1.33 0.00 0.00 177.39 176.54 1wif n GLY 39 N 1.47 -4.10 3.47 -0.72 0.00 0.38 -4.64 105.19 101.05 1wif n GLY 39 Ca 0.06 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.54 0.83 -1.74 0.99 -0.00 -1.26 -4.75 117.00 110.52 1wif n LEU 40 Ca 0.00 0.15 -0.12 0.00 -0.00 0.00 0.00 56.01 56.03 1wif n LEU 40 Cb 0.00 -1.06 0.14 0.00 -0.00 0.00 0.00 43.42 42.51 1wif n LEU 40 CO 0.00 -0.87 0.96 0.61 -0.00 0.00 0.00 177.39 178.09 1wif n GLY 41 N 6.55 3.45 1.81 1.47 0.00 -1.26 -4.99 105.19 112.22 1wif n GLY 41 Ca 0.58 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.41 -0.13 -3.81 0.99 -0.00 -1.26 -4.49 117.00 107.88 1wif n LEU 42 Ca 0.36 0.60 -0.42 0.00 -0.00 0.00 0.00 56.01 56.55 1wif n LEU 42 Cb 1.21 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 44.15 1wif n LEU 42 CO 0.37 -1.11 2.31 0.52 -0.00 0.00 0.00 177.39 179.49 1wif n VAL 43 N 0.63 3.90 -2.85 1.47 0.31 0.43 -4.88 118.33 117.35 1wif n VAL 43 Ca 0.10 -3.72 -0.32 0.00 -0.01 0.00 0.00 64.34 60.39 1wif n VAL 43 Cb 0.06 -2.48 -0.05 0.00 -0.91 0.00 0.00 33.84 30.45 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 1.80 4.57 0.53 2.52 0.11 -1.26 -2.03 120.40 126.64 1wif s VAL 44 Ca 0.43 1.13 0.01 0.00 -2.93 0.00 0.00 61.98 60.63 1wif s VAL 44 Cb 0.12 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.33 1wif s VAL 44 CO -0.04 -0.38 0.09 0.27 -3.33 0.00 0.00 175.10 171.71 1wif s ILE 45 N -2.23 1.15 -0.77 7.04 -4.36 -0.69 -4.83 121.20 116.51 1wif s ILE 45 Ca 0.57 -1.90 -0.13 0.00 -0.26 0.00 0.00 60.65 58.94 1wif s ILE 45 Cb -0.10 -2.05 0.20 0.00 1.25 0.00 0.00 42.46 41.77 1wif s ILE 45 CO 0.21 0.00 0.69 -1.58 0.24 0.00 0.00 174.94 174.50 1wif s GLN 46 N -3.98 3.38 -0.51 0.37 -0.44 -1.26 -2.91 119.66 114.30 1wif s GLN 46 Ca 0.08 -2.39 0.00 0.00 -2.50 0.00 0.00 55.36 50.55 1wif s GLN 46 Cb -0.00 -4.31 0.13 0.00 -1.64 0.00 0.00 33.01 27.19 1wif s GLN 46 CO 0.05 -1.28 0.28 1.21 0.50 0.00 0.00 175.29 176.06 1wif s ASN 47 N 2.09 4.90 0.00 6.67 2.47 -1.25 -4.99 114.94 124.84 1wif s ASN 47 Ca 0.16 -2.64 0.00 0.00 0.42 0.00 0.00 52.86 50.80 1wif s ASN 47 Cb -0.14 -1.75 0.00 0.00 -1.45 0.00 0.00 41.25 37.91 1wif s ASN 47 CO -0.07 -0.36 0.00 0.61 -3.72 0.00 0.00 177.10 173.56 1wif n GLY 48 N 3.70 -1.98 0.00 1.21 0.00 -1.26 -4.03 105.19 102.83 1wif n GLY 48 Ca 0.04 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 0.49 -4.18 1.61 -0.04 -1.26 -4.69 135.00 126.94 1wif n PRO 49 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1wif n PRO 49 Cb 0.00 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.00 1.14 -0.16 0.54 2.02 -1.25 -3.97 117.35 113.67 1wif s TYR 50 Ca 0.19 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.15 1wif s TYR 50 Cb 0.09 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.98 1wif s TYR 50 CO 0.14 0.04 1.25 -0.51 -1.57 0.00 0.00 175.55 174.90 1wif s LEU 51 N -1.64 4.18 -0.26 -1.29 2.01 -1.26 -3.78 118.68 116.65 1wif s LEU 51 Ca -0.03 1.69 -0.05 0.00 0.01 0.00 0.00 54.13 55.75 1wif s LEU 51 Cb -0.10 -3.54 0.01 0.00 0.01 0.00 0.00 46.19 42.57 1wif s LEU 51 CO 0.02 -0.74 0.02 -1.10 1.01 0.00 0.00 176.35 175.55 1wif s GLN 52 N 3.39 3.16 0.33 1.70 -1.52 -1.15 -3.24 119.66 122.33 1wif s GLN 52 Ca 0.54 -0.79 -0.29 0.00 -1.95 0.00 0.00 55.36 52.87 1wif s GLN 52 Cb -0.22 -3.20 -0.11 0.00 -0.22 0.00 0.00 33.01 29.27 1wif s GLN 52 CO 0.15 -0.35 1.46 0.42 -0.25 0.00 0.00 175.29 176.72 1wif s ILE 53 N 1.47 2.31 -0.02 1.08 1.01 -1.24 -1.70 121.20 124.10 1wif s ILE 53 Ca 0.03 0.29 0.03 0.00 0.00 0.00 0.00 60.65 61.01 1wif s ILE 53 Cb -0.16 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1wif s ILE 53 CO -0.00 0.06 0.04 -0.24 0.00 0.00 0.00 174.94 174.80 1wif n SER 54 N 1.24 4.13 -3.52 3.58 2.88 -1.09 -0.32 113.62 120.51 1wif n SER 54 Ca 0.03 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.45 1wif n SER 54 Cb 0.40 0.85 -0.04 0.00 -0.75 0.00 0.00 64.21 64.67 1wif n SER 54 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1wif s HIS 55 N -2.17 -0.47 -0.06 0.66 5.65 -0.86 -4.83 115.29 113.22 1wif s HIS 55 Ca -0.02 0.61 0.03 0.00 0.25 0.00 0.00 55.06 55.93 1wif s HIS 55 Cb 0.02 0.48 -0.02 0.00 -1.18 0.00 0.00 32.58 31.87 1wif s HIS 55 CO 0.15 -0.54 -0.13 -0.51 -0.65 0.00 0.00 174.74 173.06 1wif s LEU 56 N -1.73 2.79 -0.45 8.88 1.43 -1.26 0.16 118.68 128.51 1wif s LEU 56 Ca -0.02 -0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 52.61 1wif s LEU 56 Cb -0.01 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1wif s LEU 56 CO -0.01 0.32 1.83 -0.63 0.23 0.00 0.00 176.35 178.09 1wif s ILE 57 N -0.59 3.44 0.34 -0.59 1.09 -1.26 -4.82 121.20 118.80 1wif s ILE 57 Ca 0.09 0.38 0.12 0.00 -1.10 0.00 0.00 60.65 60.14 1wif s ILE 57 Cb -0.11 -3.76 0.37 0.00 -1.06 0.00 0.00 42.46 37.90 1wif s ILE 57 CO 0.01 -0.60 1.58 -1.13 -0.10 0.00 0.00 174.94 174.71 1wif h ASN 58 N 13.81 -0.01 -0.55 3.58 -1.24 -1.97 0.73 115.58 129.93 1wif h ASN 58 Ca -0.30 0.26 -0.33 0.00 0.71 0.00 0.00 56.30 56.64 1wif h ASN 58 Cb 1.17 0.35 -0.13 0.00 0.73 0.00 0.00 38.32 40.44 1wif h ASN 58 CO 1.11 -0.37 0.27 0.29 -1.29 0.00 0.00 177.43 177.44 1wif n LYS 59 N -5.34 1.92 -1.30 6.67 5.02 -1.26 -4.64 118.16 119.22 1wif n LYS 59 Ca 0.31 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 55.03 1wif n LYS 59 Cb 1.02 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.87 4.51 0.07 0.72 0.00 0.26 -4.87 105.19 106.75 1wif n GLY 60 Ca 0.34 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 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 1.00 0.00 -1.42 4.61 0.00 -1.80 -3.28 119.26 118.37 1wif h ALA 61 Ca 0.00 -0.42 0.43 0.00 0.00 0.00 0.00 54.91 54.92 1wif h ALA 61 Cb 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 1wif h ALA 61 CO 0.00 0.42 0.97 0.00 0.00 0.00 0.00 179.25 180.64 1wif h ALA 62 N -1.00 3.02 -0.01 0.00 0.00 -1.90 0.44 119.26 119.81 1wif h ALA 62 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wif h ALA 62 Cb 0.42 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wif h ALA 62 CO 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 179.25 177.68 1wif h ALA 63 N 1.43 0.02 0.00 0.00 0.00 -1.76 -3.01 119.26 115.94 1wif h ALA 63 Ca 0.78 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1wif h ALA 63 Cb 2.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.47 1wif h ALA 63 CO -0.23 -0.21 0.00 0.45 0.00 0.00 0.00 179.25 179.25 1wif n SER 64 N -4.82 0.00 -4.45 0.00 2.88 0.12 -4.58 113.62 102.77 1wif n SER 64 Ca -0.08 -0.15 -0.44 0.00 -1.33 0.00 0.00 58.87 56.87 1wif n SER 64 Cb 0.27 -0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 63.43 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 -2.48 6.23 -0.60 -3.46 -1.08 0.79 -4.95 116.67 111.12 1wif s ASP 65 Ca 0.24 -0.91 -0.06 0.00 -0.52 0.00 0.00 52.55 51.30 1wif s ASP 65 Cb 0.16 -2.30 -0.15 0.00 -1.46 0.00 0.00 42.92 39.17 1wif s ASP 65 CO 0.34 -0.92 2.80 0.61 0.52 0.00 0.00 175.17 178.52 1wif n GLY 66 N 5.17 3.12 1.29 2.66 0.00 -1.26 -3.42 105.19 112.75 1wif n GLY 66 Ca -0.06 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 3.18 0.00 -3.29 -0.61 2.08 -1.26 -5.08 119.36 114.38 1wif n ILE 67 Ca 0.48 0.00 -0.38 0.00 0.56 0.00 0.00 62.75 63.41 1wif n ILE 67 Cb 0.48 -0.30 -0.06 0.00 -0.75 0.00 0.00 39.64 39.01 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 -4.29 4.28 0.14 1.39 1.43 -1.22 -5.03 118.68 115.38 1wif s LEU 68 Ca 0.00 0.84 0.08 0.00 -1.03 0.00 0.00 54.13 54.03 1wif s LEU 68 Cb 0.00 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1wif s LEU 68 CO 0.00 -0.01 -0.13 0.00 0.23 0.00 0.00 176.35 176.45 1wif s GLN 69 N 0.63 1.98 -1.06 1.70 -2.07 -1.26 -4.89 119.66 114.69 1wif s GLN 69 Ca 0.27 -1.17 -0.23 0.00 -1.82 0.00 0.00 55.36 52.40 1wif s GLN 69 Cb -0.15 -2.18 -0.07 0.00 -1.09 0.00 0.00 33.01 29.51 1wif s GLN 69 CO 0.11 0.47 1.94 -1.25 -1.32 0.00 0.00 175.29 175.24 1wif s PRO 70 N -2.41 2.52 0.00 9.60 0.04 -1.26 -3.54 135.00 139.94 1wif s PRO 70 Ca 0.21 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1wif s PRO 70 Cb -0.10 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.28 1wif s PRO 70 CO 0.13 -3.72 0.00 0.41 0.04 0.00 0.00 177.00 173.86 1wif n GLY 71 N 6.27 0.00 0.00 0.56 0.00 0.56 -4.48 105.19 108.11 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 0.76 -3.43 1.61 5.68 -1.23 -4.86 116.55 115.08 1wif n ASP 72 Ca 0.00 -0.34 -0.27 0.00 -0.50 0.00 0.00 54.79 53.68 1wif n ASP 72 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 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 1.15 0.08 0.45 2.12 1.01 -1.18 -3.73 120.40 120.30 1wif s VAL 73 Ca 0.00 -1.72 -0.23 0.00 0.00 0.00 0.00 61.98 60.03 1wif s VAL 73 Cb 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 1wif s VAL 73 CO 0.00 -0.95 0.98 0.18 0.00 0.00 0.00 175.10 175.31 1wif n LEU 74 N 3.90 2.66 -0.24 3.92 4.77 -1.20 -2.45 117.00 128.37 1wif n LEU 74 Ca 0.14 0.99 0.01 0.00 -0.03 0.00 0.00 56.01 57.12 1wif n LEU 74 Cb 0.40 -1.35 0.01 0.00 -2.33 0.00 0.00 43.42 40.15 1wif n LEU 74 CO 0.12 -1.59 0.28 -0.38 -1.33 0.00 0.00 177.39 174.49 1wif n ILE 75 N -0.69 0.17 0.00 -0.08 -0.00 0.14 -4.31 119.36 114.59 1wif n ILE 75 Ca 0.10 -0.19 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 1wif n ILE 75 Cb 0.40 0.67 0.00 0.00 -0.00 0.00 0.00 39.64 40.71 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 -0.12 0.00 -4.52 4.38 3.41 -1.26 -4.35 113.62 111.16 1wif n SER 76 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.19 1wif n SER 76 Cb 0.59 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 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 4.60 -0.38 -3.33 1.01 -1.15 -3.91 120.40 117.24 1wif s VAL 77 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1wif s VAL 77 Cb 0.00 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1wif s VAL 77 CO 0.00 -0.84 0.32 0.61 0.00 0.00 0.00 175.10 175.20 1wif n GLY 78 N 5.05 0.19 1.84 4.51 0.00 -1.24 -3.25 105.19 112.29 1wif n GLY 78 Ca 0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.09 -0.85 -3.92 1.61 -0.00 -1.26 -4.86 115.22 103.85 1wif n HIS 79 Ca -0.05 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.83 1wif n HIS 79 Cb 0.55 -2.04 -0.14 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 -1.88 2.96 -0.96 1.57 0.00 -1.20 -5.04 121.76 117.21 1wif s ALA 80 Ca 0.00 -2.94 -0.15 0.00 0.00 0.00 0.00 51.96 48.88 1wif s ALA 80 Cb 0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 23.12 20.77 1wif s ALA 80 CO 0.00 -1.94 2.27 -1.71 0.00 0.00 0.00 175.76 174.38 1wif n ASN 81 N 3.51 -0.74 -0.87 0.00 2.85 -1.26 -2.95 115.26 115.79 1wif n ASN 81 Ca 0.05 -0.55 0.06 0.00 -0.11 0.00 0.00 54.58 54.02 1wif n ASN 81 Cb 0.35 -0.75 0.19 0.00 1.24 0.00 0.00 39.78 40.81 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 0.78 -0.03 3.44 0.24 -1.26 -4.51 118.33 123.23 1wif n VAL 82 Ca 0.65 -0.58 -0.05 0.00 -2.04 0.00 0.00 64.34 62.31 1wif n VAL 82 Cb 0.17 0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.59 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 2.25 -0.61 -3.84 1.34 6.46 -1.77 -2.20 115.31 116.94 1wif h LEU 83 Ca 0.00 0.08 -0.56 0.00 -0.12 0.00 0.00 57.88 57.27 1wif h LEU 83 Cb 0.73 0.24 -0.26 0.00 -0.73 0.00 0.00 40.66 40.65 1wif h LEU 83 CO 0.07 -0.15 0.73 0.61 -0.62 0.00 0.00 178.44 179.08 1wif n GLY 84 N -1.13 5.19 3.71 3.75 0.00 -1.25 -3.97 105.19 111.48 1wif n GLY 84 Ca -0.02 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.24 3.47 0.57 1.61 1.51 -0.83 -5.03 117.35 115.41 1wif s TYR 85 Ca 0.55 0.80 -0.16 0.00 -1.01 0.00 0.00 57.07 57.24 1wif s TYR 85 Cb 0.44 -2.54 -0.05 0.00 -0.11 0.00 0.00 41.96 39.70 1wif s TYR 85 CO 0.01 0.11 1.05 0.95 -1.11 0.00 0.00 175.55 176.56 1wif s THR 86 N 0.84 3.90 0.36 -0.71 -4.23 -1.26 -4.40 115.64 110.14 1wif s THR 86 Ca 0.24 0.94 0.11 0.00 -1.18 0.00 0.00 61.69 61.79 1wif s THR 86 Cb -0.15 -3.43 0.33 0.00 1.34 0.00 0.00 72.50 70.59 1wif s THR 86 CO 0.09 -0.49 1.85 0.25 -0.54 0.00 0.00 174.62 175.77 1wif h LEU 87 N 0.64 0.62 -0.81 4.79 5.85 -1.97 0.70 115.31 125.12 1wif h LEU 87 Ca -0.47 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1wif h LEU 87 Cb 1.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1wif h LEU 87 CO 0.58 0.28 0.00 0.03 -0.34 0.00 0.00 178.44 178.99 1wif h ARG 88 N 0.63 0.00 0.00 1.25 -0.00 -2.00 -2.89 114.38 111.38 1wif h ARG 88 Ca 0.48 0.00 -0.34 0.00 -0.50 0.00 0.00 59.98 59.62 1wif h ARG 88 Cb 0.87 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.79 1wif h ARG 88 CO -0.23 0.00 -1.96 0.39 0.00 0.00 0.00 179.97 178.18 1wif n GLU 89 N -2.47 0.57 -0.08 0.04 -0.58 0.21 -3.92 120.64 114.41 1wif n GLU 89 Ca 0.02 0.36 0.25 0.00 -0.42 0.00 0.00 57.16 57.37 1wif n GLU 89 Cb 0.27 -1.57 0.71 0.00 -0.57 0.00 0.00 31.44 30.29 1wif n GLU 89 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1wif h PHE 90 N -1.00 0.00 -0.05 -0.32 3.57 -0.57 0.53 116.94 119.09 1wif h PHE 90 Ca -0.51 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 60.76 1wif h PHE 90 Cb 1.42 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.17 1wif h PHE 90 CO -0.07 0.00 -0.89 -0.07 -2.23 0.00 0.00 178.31 175.04 1wif h LEU 91 N 0.00 0.75 0.00 0.59 -0.00 -1.70 -2.93 115.31 112.02 1wif h LEU 91 Ca 0.34 -0.55 -0.14 0.00 -0.00 0.00 0.00 57.88 57.53 1wif h LEU 91 Cb 1.40 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.81 1wif h LEU 91 CO -0.00 1.34 -0.71 0.07 -0.00 0.00 0.00 178.44 179.14 1wif h LYS 92 N 0.37 0.00 0.46 1.13 5.09 -0.83 -3.20 116.57 119.58 1wif h LYS 92 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.64 1wif h LYS 92 Cb 1.52 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.86 1wif h LYS 92 CO 0.17 0.62 -0.22 1.25 -2.09 0.00 0.00 179.45 179.18 1wif h LEU 93 N 0.00 -0.52 -1.99 7.07 5.85 -0.12 -3.10 115.31 122.50 1wif h LEU 93 Ca -0.02 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1wif h LEU 93 Cb 1.51 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 1wif h LEU 93 CO 0.08 -0.26 0.48 -0.07 -0.34 0.00 0.00 178.44 178.33 1wif h LEU 94 N -0.84 0.00 0.00 2.25 3.38 -1.67 0.33 115.31 118.76 1wif h LEU 94 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wif h LEU 94 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wif h LEU 94 CO 0.10 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1wif n GLN 95 N -4.10 0.00 -0.27 1.13 6.02 -1.17 -0.15 117.38 118.84 1wif n GLN 95 Ca 0.11 0.43 0.12 0.00 -0.01 0.00 0.00 57.00 57.65 1wif n GLN 95 Cb 0.72 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.74 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 -1.46 3.66 -4.86 1.08 3.02 0.12 -4.96 115.26 111.87 1wif n ASN 96 Ca 0.00 -1.99 -0.33 0.00 -0.03 0.00 0.00 54.58 52.24 1wif n ASN 96 Cb 0.02 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.24 4.84 0.26 2.41 -1.09 0.78 -5.09 121.20 122.07 1wif s ILE 97 Ca 0.43 0.68 0.03 0.00 -2.23 0.00 0.00 60.65 59.56 1wif s ILE 97 Cb 0.24 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 1wif s ILE 97 CO 0.32 -0.05 0.41 -0.89 -1.23 0.00 0.00 174.94 173.50 1wif s THR 98 N -1.80 5.22 1.10 2.92 2.01 -1.26 -5.07 115.64 118.76 1wif s THR 98 Ca 0.48 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 1wif s THR 98 Cb -0.12 -3.85 0.20 0.00 0.01 0.00 0.00 72.50 68.75 1wif s THR 98 CO 0.20 -0.37 0.77 -0.38 -0.69 0.00 0.00 174.62 174.15 1wif n ILE 99 N -1.41 0.00 -3.90 1.82 2.08 -1.26 -3.45 119.36 113.23 1wif n ILE 99 Ca -0.07 -0.32 -0.29 0.00 0.56 0.00 0.00 62.75 62.63 1wif n ILE 99 Cb 0.56 -0.88 -0.01 0.00 -0.75 0.00 0.00 39.64 38.56 1wif n ILE 99 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1wif n GLY 100 N 1.15 -0.41 3.31 7.39 0.00 0.17 -4.87 105.19 111.93 1wif n GLY 100 Ca 0.04 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.98 2.72 -0.55 2.61 2.01 -1.22 -4.87 115.64 112.35 1wif s THR 101 Ca 0.23 -0.78 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 1wif s THR 101 Cb -0.13 -2.12 0.05 0.00 0.01 0.00 0.00 72.50 70.31 1wif s THR 101 CO 0.67 0.53 0.83 -0.69 -0.69 0.00 0.00 174.62 175.28 1wif s VAL 102 N 0.43 4.55 0.11 3.82 1.01 -1.26 -3.58 120.40 125.48 1wif s VAL 102 Ca -0.12 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1wif s VAL 102 Cb -0.16 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1wif s VAL 102 CO 0.06 -1.06 -0.06 -0.76 0.00 0.00 0.00 175.10 173.28 1wif s LEU 103 N 3.49 3.20 -0.69 3.92 2.01 -1.26 -5.00 118.68 124.36 1wif s LEU 103 Ca 0.24 -0.32 -0.19 0.00 0.01 0.00 0.00 54.13 53.87 1wif s LEU 103 Cb -0.16 -1.96 0.11 0.00 0.01 0.00 0.00 46.19 44.19 1wif s LEU 103 CO 0.15 0.17 0.83 -1.58 1.01 0.00 0.00 176.35 176.93 1wif s GLN 104 N -2.32 3.21 -0.68 1.70 0.74 -1.26 -3.91 119.66 117.15 1wif s GLN 104 Ca 0.23 -1.43 -0.22 0.00 0.05 0.00 0.00 55.36 54.00 1wif s GLN 104 Cb -0.11 -4.39 0.08 0.00 1.10 0.00 0.00 33.01 29.69 1wif s GLN 104 CO 0.16 -1.61 0.94 0.42 -0.55 0.00 0.00 175.29 174.65 1wif s ILE 105 N 2.68 4.44 -0.34 -2.34 -1.09 -1.12 -3.58 121.20 119.85 1wif s ILE 105 Ca 0.18 -0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 57.86 1wif s ILE 105 Cb -0.18 -4.66 -0.02 0.00 -1.58 0.00 0.00 42.46 36.02 1wif s ILE 105 CO 0.03 -1.41 0.32 -0.75 -1.23 0.00 0.00 174.94 171.89 1wif s LYS 106 N 3.70 3.57 0.11 2.79 2.20 -1.25 -3.08 119.74 127.78 1wif s LYS 106 Ca 0.21 -0.47 0.04 0.00 -0.36 0.00 0.00 55.97 55.40 1wif s LYS 106 Cb -0.17 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 1wif s LYS 106 CO 0.07 -0.48 -0.10 0.00 -0.36 0.00 0.00 175.35 174.48 1wif s ALA 107 N 1.92 1.21 0.04 3.13 0.00 0.29 0.28 121.76 128.63 1wif s ALA 107 Ca 0.10 -1.26 -0.14 0.00 0.00 0.00 0.00 51.96 50.67 1wif s ALA 107 Cb -0.17 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 1wif s ALA 107 CO 0.11 -0.04 0.43 0.71 0.00 0.00 0.00 175.76 176.98 1wif s TYR 108 N -2.59 3.68 -0.42 0.00 2.02 -1.03 -1.49 117.35 117.53 1wif s TYR 108 Ca 0.08 0.97 0.05 0.00 -0.37 0.00 0.00 57.07 57.80 1wif s TYR 108 Cb -0.02 -2.28 0.52 0.00 -0.40 0.00 0.00 41.96 39.79 1wif s TYR 108 CO 0.00 0.58 1.66 -2.13 -1.57 0.00 0.00 175.55 174.09 1wif n ARG 109 N 1.45 2.41 0.00 -0.62 0.63 -1.26 -3.08 116.66 116.18 1wif n ARG 109 Ca -0.11 -3.34 0.00 0.00 -0.92 0.00 0.00 57.85 53.48 1wif n ARG 109 Cb 0.52 -2.08 0.00 0.00 0.45 0.00 0.00 32.46 31.35 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 -1.02 0.00 0.19 5.14 0.00 -1.26 -5.05 105.19 103.20 1wif n GLY 110 Ca 0.48 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.57 1.61 -0.00 -1.26 -5.00 117.46 108.23 1wif n PHE 111 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.14 1wif n PHE 111 Cb 0.00 -0.84 -0.12 0.00 -0.00 0.00 0.00 39.48 38.52 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 -7.49 2.86 0.40 -2.13 1.43 -1.26 -5.13 118.68 107.37 1wif s LEU 112 Ca -0.34 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 1wif s LEU 112 Cb 0.12 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1wif s LEU 112 CO 0.44 0.27 0.69 -1.61 0.23 0.00 0.00 176.35 176.37 1wif s GLU 113 N -1.43 3.60 -0.13 1.70 2.02 -1.26 -4.94 118.70 118.26 1wif s GLU 113 Ca 0.16 0.11 -0.07 0.00 0.02 0.00 0.00 54.97 55.18 1wif s GLU 113 Cb -0.11 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 1wif s GLU 113 CO 0.06 -0.01 0.13 0.42 0.02 0.00 0.00 175.26 175.88 1wif s ILE 114 N -2.45 5.46 -0.13 -1.63 1.01 -1.26 -5.06 121.20 117.15 1wif s ILE 114 Ca 0.46 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 1wif s ILE 114 Cb -0.10 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1wif s ILE 114 CO 0.37 0.59 1.54 -2.16 0.00 0.00 0.00 174.94 175.29 1wif s PRO 115 N -0.79 4.09 0.14 2.79 0.04 -1.26 -4.92 135.00 135.09 1wif s PRO 115 Ca 0.14 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 1wif s PRO 115 Cb -0.12 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.48 1wif s PRO 115 CO 0.03 -0.93 1.73 1.96 0.04 0.00 0.00 177.00 179.83 1wif h GLN 116 N 9.52 0.14 -0.93 4.56 1.08 -1.97 -2.44 115.11 125.07 1wif h GLN 116 Ca -0.34 -0.01 0.26 0.00 -1.45 0.00 0.00 58.65 57.10 1wif h GLN 116 Cb 1.15 -0.03 -0.17 0.00 -0.05 0.00 0.00 27.48 28.38 1wif h GLN 116 CO 0.97 0.09 0.01 0.39 -0.95 0.00 0.00 178.83 179.35 1wif n GLU 117 N -5.10 -0.07 0.04 1.46 -0.58 -1.26 -1.04 120.64 114.08 1wif n GLU 117 Ca -0.01 1.40 -0.05 0.00 -0.42 0.00 0.00 57.16 58.08 1wif n GLU 117 Cb 0.12 -2.22 -0.03 0.00 -0.57 0.00 0.00 31.44 28.74 1wif n GLU 117 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 1wif h TRP 118 N 0.00 -0.44 -3.30 -0.32 4.06 -1.84 -3.42 115.95 110.68 1wif h TRP 118 Ca 0.56 0.01 -0.56 0.00 2.06 0.00 0.00 58.89 60.96 1wif h TRP 118 Cb 1.16 0.19 0.18 0.00 -1.00 0.00 0.00 29.16 29.69 1wif h TRP 118 CO -0.48 -0.18 -0.27 1.04 -3.56 0.00 0.00 178.44 174.99 1wif n GLN 119 N -3.31 0.41 -0.05 0.49 1.13 -0.21 -4.97 117.38 110.87 1wif n GLN 119 Ca -0.03 0.18 -0.02 0.00 -1.94 0.00 0.00 57.00 55.19 1wif n GLN 119 Cb 0.12 -1.90 -0.01 0.00 0.11 0.00 0.00 30.24 28.56 1wif n GLN 119 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1wif h ASP 120 N -0.19 0.00 -1.21 1.08 2.03 -1.82 -3.46 116.42 112.84 1wif h ASP 120 Ca -0.46 0.00 -0.76 0.00 -0.73 0.00 0.00 57.03 55.08 1wif h ASP 120 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 1wif h ASP 120 CO 0.45 0.54 0.97 -1.20 -1.03 0.00 0.00 179.24 178.97 1wif n SER 121 N -4.25 1.94 -3.77 4.15 7.64 -1.26 -4.85 113.62 113.21 1wif n SER 121 Ca -0.04 0.98 0.04 0.00 1.01 0.00 0.00 58.87 60.86 1wif n SER 121 Cb 0.13 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1wif n SER 121 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wif s GLY 122 N 4.17 -0.37 0.14 0.23 0.00 -1.26 -5.09 107.32 105.14 1wif s GLY 122 Ca 1.04 0.59 -0.31 0.00 0.00 0.00 0.00 44.72 46.04 1wif s GLY 122 CO 0.67 3.33 1.34 2.56 0.00 0.00 0.00 173.10 181.01 1wif s PRO 123 N -2.01 4.36 0.30 2.90 0.04 -1.26 -4.85 135.00 134.47 1wif s PRO 123 Ca 0.23 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1wif s PRO 123 Cb 0.04 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1wif s PRO 123 CO -0.05 -0.35 0.00 0.45 0.04 0.00 0.00 177.00 177.09 1wif n SER 124 N 3.49 -0.98 -2.05 6.66 2.88 -1.26 -5.15 113.62 117.20 1wif n SER 124 Ca 0.09 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1wif n SER 124 Cb 0.43 1.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.99 1wif n SER 124 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wif n SER 125 N -3.39 -8.51 0.00 -3.46 7.64 -1.26 -5.35 113.62 99.29 1wif n SER 125 Ca 0.00 1.45 0.08 0.00 1.01 0.00 0.00 58.87 61.41 1wif n SER 125 Cb 0.00 -4.71 0.48 0.00 -1.01 0.00 0.00 64.21 58.98 1wif n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64