#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 -0.09 -0.05 1.61 1.04 -1.26 -5.19 113.70 109.77 1wif s SER 2 Ca 0.00 -0.23 -0.30 0.00 0.48 0.00 0.00 55.95 55.90 1wif s SER 2 Cb 0.00 0.26 0.11 0.00 0.10 0.00 0.00 66.02 66.49 1wif s SER 2 CO 0.00 -0.49 1.33 -0.94 0.98 0.00 0.00 173.24 174.12 1wif s SER 3 N -3.01 -0.01 -0.09 7.02 1.04 -1.26 -5.19 113.70 112.21 1wif s SER 3 Ca 0.14 -0.12 -0.24 0.00 0.48 0.00 0.00 55.95 56.22 1wif s SER 3 Cb 0.03 0.10 0.05 0.00 0.10 0.00 0.00 66.02 66.30 1wif s SER 3 CO -0.02 -0.19 0.56 -0.83 0.98 0.00 0.00 173.24 173.74 1wif s GLY 4 N -3.55 -0.43 0.00 7.32 0.00 -1.26 -5.17 107.32 104.23 1wif s GLY 4 Ca 0.25 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.12 1wif s GLY 4 CO -0.03 0.87 0.00 -1.26 0.00 0.00 0.00 173.10 172.68 1wif n SER 5 N 1.53 0.00 -3.65 1.64 2.88 -1.26 -5.15 113.62 109.61 1wif n SER 5 Ca -0.18 -0.67 -0.03 0.00 -1.33 0.00 0.00 58.87 56.66 1wif n SER 5 Cb 0.56 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.96 1wif n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wif s SER 6 N -0.01 -0.06 0.00 -3.46 0.15 -1.26 -5.02 113.70 104.04 1wif s SER 6 Ca 0.00 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1wif s SER 6 Cb 0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1wif s SER 6 CO 0.00 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1wif n GLY 7 N 1.54 -0.54 3.43 9.45 0.00 -1.26 -4.86 105.19 112.95 1wif n GLY 7 Ca -0.10 -1.72 -0.60 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.32 1.17 -0.15 1.61 2.88 -1.26 -4.55 113.62 112.00 1wif n SER 8 Ca 0.00 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1wif n SER 8 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1wif n SER 8 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wif n LYS 9 N 6.62 0.00 -0.79 -1.46 4.81 -1.26 -5.01 118.16 121.07 1wif n LYS 9 Ca 0.45 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.94 1wif n LYS 9 Cb 0.00 0.00 0.34 0.00 0.02 0.00 0.00 35.03 35.39 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 -0.13 4.94 0.00 3.14 3.02 -1.26 -4.94 115.26 120.02 1wif n ASN 10 Ca 0.00 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1wif n ASN 10 Cb 0.00 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 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 0.08 2.57 -1.05 3.52 1.02 -1.26 -5.09 120.64 120.43 1wif n GLU 11 Ca 0.29 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.07 1wif n GLU 11 Cb 1.15 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.55 1wif n GLU 11 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1wif n LYS 12 N 0.00 0.00 -2.60 3.49 0.00 -1.26 -4.77 118.16 113.02 1wif n LYS 12 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 1wif n LYS 12 Cb 0.00 -0.77 -0.03 0.00 -0.00 0.00 0.00 35.03 34.23 1wif n LYS 12 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wif s GLU 13 N -0.77 3.24 0.00 -1.58 2.02 -1.26 -4.69 118.70 115.65 1wif s GLU 13 Ca 0.48 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.24 1wif s GLU 13 Cb -0.65 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 29.43 1wif s GLU 13 CO 0.45 -2.02 0.51 0.94 0.02 0.00 0.00 175.26 175.16 1wif n GLN 14 N 9.00 0.51 -0.10 1.61 7.27 -1.26 -5.05 117.38 129.35 1wif n GLN 14 Ca 0.03 -0.60 -0.10 0.00 0.07 0.00 0.00 57.00 56.40 1wif n GLN 14 Cb 0.49 -0.62 0.09 0.00 2.41 0.00 0.00 30.24 32.61 1wif n GLN 14 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1wif n LEU 15 N -0.09 0.00 0.00 1.69 -0.00 -1.26 -4.47 117.00 112.86 1wif n LEU 15 Ca 0.00 -0.28 -0.24 0.00 -0.00 0.00 0.00 56.01 55.49 1wif n LEU 15 Cb 0.39 -0.34 0.16 0.00 -0.00 0.00 0.00 43.42 43.63 1wif n LEU 15 CO 0.00 -1.92 0.70 -1.54 -0.00 0.00 0.00 177.39 174.64 1wif n SER 16 N -3.41 0.35 -4.87 1.45 3.41 -1.26 -4.89 113.62 104.40 1wif n SER 16 Ca 0.04 -1.56 -0.31 0.00 -0.26 0.00 0.00 58.87 56.79 1wif n SER 16 Cb 0.19 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.32 1wif n SER 16 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wif s LYS 17 N -5.35 3.71 -0.42 4.33 3.01 -1.26 -5.03 119.74 118.73 1wif s LYS 17 Ca 0.64 0.68 0.09 0.00 -1.01 0.00 0.00 55.97 56.36 1wif s LYS 17 Cb -0.02 -2.19 0.36 0.00 -1.01 0.00 0.00 37.83 34.97 1wif s LYS 17 CO 0.44 -0.36 1.11 0.00 0.51 0.00 0.00 175.35 177.06 1wif n ALA 18 N -2.15 0.59 -1.07 5.17 0.00 -1.26 -5.14 120.51 116.64 1wif n ALA 18 Ca 0.05 -1.86 -0.04 0.00 0.00 0.00 0.00 53.44 51.59 1wif n ALA 18 Cb 0.54 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.97 1wif n ALA 18 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wif n LYS 19 N 0.04 -0.97 -1.51 0.00 0.00 -1.26 -5.03 118.16 109.42 1wif n LYS 19 Ca 0.07 -0.34 -0.30 0.00 -0.00 0.00 0.00 58.31 57.73 1wif n LYS 19 Cb 0.75 -0.28 0.08 0.00 -0.00 0.00 0.00 35.03 35.57 1wif n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wif s ALA 20 N -3.36 2.39 -0.35 0.58 0.00 -1.26 -5.01 121.76 114.74 1wif s ALA 20 Ca 0.13 -0.03 0.13 0.00 0.00 0.00 0.00 51.96 52.19 1wif s ALA 20 Cb -0.01 -3.16 0.45 0.00 0.00 0.00 0.00 23.12 20.40 1wif s ALA 20 CO 0.10 -1.56 1.05 0.43 0.00 0.00 0.00 175.76 175.78 1wif n SER 21 N -3.34 2.96 -4.77 0.00 7.64 -1.26 -5.10 113.62 109.75 1wif n SER 21 Ca 0.07 -3.09 -0.34 0.00 1.01 0.00 0.00 58.87 56.52 1wif n SER 21 Cb 0.55 -0.48 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 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 -4.21 3.26 -0.46 0.44 0.11 -1.26 -4.97 120.40 113.30 1wif s VAL 22 Ca 0.37 0.67 0.04 0.00 -2.93 0.00 0.00 61.98 60.12 1wif s VAL 22 Cb 0.42 -3.20 0.44 0.00 -1.53 0.00 0.00 36.38 32.51 1wif s VAL 22 CO -0.05 -0.28 1.48 -1.20 -3.33 0.00 0.00 175.10 171.71 1wif n SER 23 N -1.91 5.86 -2.97 3.54 7.64 -1.26 -5.00 113.62 119.52 1wif n SER 23 Ca 0.11 -3.76 -0.01 0.00 1.01 0.00 0.00 58.87 56.21 1wif n SER 23 Cb 0.52 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.72 -6.01 -4.53 6.43 2.88 -1.26 -4.82 113.62 105.60 1wif n SER 24 Ca 0.49 0.94 -0.42 0.00 -1.33 0.00 0.00 58.87 58.55 1wif n SER 24 Cb 0.78 -2.82 -0.03 0.00 -0.75 0.00 0.00 64.21 61.38 1wif n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wif s LEU 25 N -0.67 3.80 -0.31 2.46 1.43 -1.26 -4.99 118.68 119.14 1wif s LEU 25 Ca -0.06 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1wif s LEU 25 Cb 0.00 -2.76 0.07 0.00 0.03 0.00 0.00 46.19 43.54 1wif s LEU 25 CO 0.27 -1.47 0.01 0.21 0.23 0.00 0.00 176.35 175.60 1wif s ASN 26 N 3.24 4.81 -0.15 2.29 3.84 -1.26 -5.08 114.94 122.64 1wif s ASN 26 Ca 0.33 -1.59 -0.29 0.00 0.21 0.00 0.00 52.86 51.51 1wif s ASN 26 Cb -0.11 -1.67 -0.03 0.00 -0.55 0.00 0.00 41.25 38.89 1wif s ASN 26 CO 0.18 -0.31 1.45 -1.59 -2.79 0.00 0.00 177.10 174.03 1wif s LYS 27 N 1.13 4.12 0.90 0.43 -2.85 -1.26 -5.01 119.74 117.21 1wif s LYS 27 Ca -0.01 1.80 -0.13 0.00 -1.00 0.00 0.00 55.97 56.63 1wif s LYS 27 Cb -0.20 -3.89 0.14 0.00 -2.06 0.00 0.00 37.83 31.82 1wif s LYS 27 CO -0.04 -0.88 1.16 0.14 0.10 0.00 0.00 175.35 175.84 1wif s VAL 28 N 4.01 1.98 -0.02 1.79 -7.23 -1.26 -4.65 120.40 115.01 1wif s VAL 28 Ca 0.63 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.82 1wif s VAL 28 Cb -0.25 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 1wif s VAL 28 CO 0.22 0.00 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.36 1wif s ILE 29 N -3.39 3.99 -0.27 -0.62 -1.09 0.68 -4.99 121.20 115.51 1wif s ILE 29 Ca 0.65 -0.57 -0.09 0.00 -2.23 0.00 0.00 60.65 58.41 1wif s ILE 29 Cb -0.13 -2.73 0.12 0.00 -1.58 0.00 0.00 42.46 38.14 1wif s ILE 29 CO 0.52 0.45 0.58 0.00 -1.23 0.00 0.00 174.94 175.26 1wif s GLN 30 N -1.31 0.51 0.05 2.79 0.00 -1.26 -0.43 119.66 120.00 1wif s GLN 30 Ca 0.17 1.31 -0.07 0.00 -0.00 0.00 0.00 55.36 56.77 1wif s GLN 30 Cb -0.11 0.70 -0.01 0.00 0.00 0.00 0.00 33.01 33.59 1wif s GLN 30 CO 0.07 -0.24 0.14 -0.08 0.00 0.00 0.00 175.29 175.17 1wif s THR 31 N 2.82 0.13 -0.39 3.63 -1.32 -1.17 -4.97 115.64 114.37 1wif s THR 31 Ca -0.03 -1.11 -0.15 0.00 -1.21 0.00 0.00 61.69 59.19 1wif s THR 31 Cb -0.12 -1.05 0.01 0.00 -1.51 0.00 0.00 72.50 69.83 1wif s THR 31 CO -0.17 -0.61 0.30 -0.54 -2.21 0.00 0.00 174.62 171.38 1wif s LYS 32 N -2.98 3.15 0.15 7.08 3.01 -1.26 -2.31 119.74 126.59 1wif s LYS 32 Ca -0.02 -0.86 -0.16 0.00 -1.01 0.00 0.00 55.97 53.92 1wif s LYS 32 Cb 0.01 -3.92 -0.07 0.00 -1.01 0.00 0.00 37.83 32.84 1wif s LYS 32 CO -0.06 -0.67 0.58 -0.51 0.51 0.00 0.00 175.35 175.20 1wif s LEU 33 N 1.75 4.36 -0.79 3.17 1.43 -1.24 -4.93 118.68 122.44 1wif s LEU 33 Ca 0.06 1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 54.15 1wif s LEU 33 Cb -0.18 -3.27 0.15 0.00 0.03 0.00 0.00 46.19 42.92 1wif s LEU 33 CO 0.11 0.11 0.88 -0.89 0.23 0.00 0.00 176.35 176.79 1wif s THR 34 N -1.43 5.06 -0.10 5.49 2.01 -1.26 -4.14 115.64 121.27 1wif s THR 34 Ca 0.37 -1.71 -0.41 0.00 0.31 0.00 0.00 61.69 60.25 1wif s THR 34 Cb -0.16 -4.59 -0.20 0.00 0.01 0.00 0.00 72.50 67.57 1wif s THR 34 CO 0.19 -1.23 1.21 0.52 -0.69 0.00 0.00 174.62 174.63 1wif n VAL 35 N 4.99 0.01 -3.22 3.82 0.31 -1.21 -4.65 118.33 118.38 1wif n VAL 35 Ca 0.10 -0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.24 1wif n VAL 35 Cb 0.46 -0.18 0.02 0.00 -0.91 0.00 0.00 33.84 33.23 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 0.73 1.96 0.32 2.92 0.00 -1.26 -1.80 107.32 110.20 1wif s GLY 36 Ca 0.94 -1.83 0.11 0.00 0.00 0.00 0.00 44.72 43.94 1wif s GLY 36 CO 0.62 -1.64 1.48 0.70 0.00 0.00 0.00 173.10 174.26 1wif n ASN 37 N -1.91 0.11 0.02 1.64 3.02 -1.26 0.15 115.26 117.03 1wif n ASN 37 Ca 0.09 1.58 0.11 0.00 -0.03 0.00 0.00 54.58 56.33 1wif n ASN 37 Cb 0.61 -0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 39.01 1wif n ASN 37 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wif n LEU 38 N -5.26 0.39 -0.50 3.41 4.32 -1.26 -4.91 117.00 113.18 1wif n LEU 38 Ca 0.29 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 1wif n LEU 38 Cb 0.97 -0.03 -0.00 0.00 -1.62 0.00 0.00 43.42 42.74 1wif n LEU 38 CO -0.03 0.01 -0.16 0.61 -1.22 0.00 0.00 177.39 176.60 1wif n GLY 39 N 1.30 -3.18 3.47 -0.72 0.00 0.39 -4.68 105.19 101.77 1wif n GLY 39 Ca -0.01 -1.17 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.92 0.99 -1.61 0.99 -0.00 -1.26 -4.53 117.00 109.66 1wif n LEU 40 Ca -0.00 0.14 0.09 0.00 -0.00 0.00 0.00 56.01 56.24 1wif n LEU 40 Cb 0.16 -1.09 0.36 0.00 -0.00 0.00 0.00 43.42 42.85 1wif n LEU 40 CO 0.00 -0.90 0.82 0.61 -0.00 0.00 0.00 177.39 177.92 1wif n GLY 41 N 6.55 2.69 1.14 1.47 0.00 -1.26 -4.90 105.19 110.88 1wif n GLY 41 Ca 0.56 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 1.13 0.07 -4.46 0.99 -0.00 -1.26 -4.60 117.00 108.87 1wif n LEU 42 Ca 0.26 0.38 -0.41 0.00 -0.00 0.00 0.00 56.01 56.24 1wif n LEU 42 Cb 0.90 -0.29 -0.01 0.00 -0.00 0.00 0.00 43.42 44.01 1wif n LEU 42 CO 0.24 -0.55 2.00 0.52 -0.00 0.00 0.00 177.39 179.60 1wif n VAL 43 N 0.63 3.56 -2.20 1.47 0.31 0.64 -4.88 118.33 117.87 1wif n VAL 43 Ca 0.07 -3.63 -0.29 0.00 -0.01 0.00 0.00 64.34 60.47 1wif n VAL 43 Cb 0.02 -2.35 0.01 0.00 -0.91 0.00 0.00 33.84 30.60 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 5.08 4.74 0.46 2.52 0.11 -1.26 -1.84 120.40 130.22 1wif s VAL 44 Ca 0.55 0.57 0.03 0.00 -2.93 0.00 0.00 61.98 60.20 1wif s VAL 44 Cb 0.05 -3.85 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 1wif s VAL 44 CO 0.07 -1.00 0.09 0.27 -3.33 0.00 0.00 175.10 171.20 1wif s ILE 45 N -3.00 0.73 -0.73 7.04 -4.36 -1.01 -4.80 121.20 115.07 1wif s ILE 45 Ca 0.52 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.79 1wif s ILE 45 Cb -0.11 -2.19 0.19 0.00 1.25 0.00 0.00 42.46 41.60 1wif s ILE 45 CO 0.50 0.00 0.64 -1.58 0.24 0.00 0.00 174.94 174.75 1wif s GLN 46 N -3.75 3.27 -0.29 0.37 -0.44 -1.26 -3.24 119.66 114.32 1wif s GLN 46 Ca 0.14 -2.31 0.00 0.00 -2.50 0.00 0.00 55.36 50.69 1wif s GLN 46 Cb 0.01 -4.26 0.05 0.00 -1.64 0.00 0.00 33.01 27.17 1wif s GLN 46 CO 0.09 -1.27 -0.04 1.21 0.50 0.00 0.00 175.29 175.78 1wif s ASN 47 N 2.19 4.73 0.46 6.67 2.47 -1.22 -5.02 114.94 125.22 1wif s ASN 47 Ca 0.15 -1.34 0.00 0.00 0.42 0.00 0.00 52.86 52.08 1wif s ASN 47 Cb -0.16 -1.65 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 1wif s ASN 47 CO -0.06 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 173.70 1wif n GLY 48 N 4.54 -1.19 0.00 1.21 0.00 -1.26 -3.51 105.19 104.98 1wif n GLY 48 Ca -0.13 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.77 1wif n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wif n PRO 49 N -0.63 0.49 -4.25 1.61 -0.04 -1.26 -4.73 135.00 126.19 1wif n PRO 49 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1wif n PRO 49 Cb 0.00 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 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 1.24 -0.01 0.54 2.02 -1.23 -4.17 117.35 113.74 1wif s TYR 50 Ca 0.18 -0.99 -0.15 0.00 -0.37 0.00 0.00 57.07 55.75 1wif s TYR 50 Cb 0.08 -0.70 -0.06 0.00 -0.40 0.00 0.00 41.96 40.89 1wif s TYR 50 CO 0.14 -0.17 0.41 -0.51 -1.57 0.00 0.00 175.55 173.85 1wif s LEU 51 N -3.18 4.46 -0.11 -1.29 1.43 -1.26 -3.39 118.68 115.34 1wif s LEU 51 Ca 0.23 0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1wif s LEU 51 Cb 0.06 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.72 1wif s LEU 51 CO 0.04 0.30 -0.04 -1.10 0.23 0.00 0.00 176.35 175.78 1wif s GLN 52 N -0.94 1.16 0.16 1.70 -0.21 -1.20 -3.55 119.66 116.77 1wif s GLN 52 Ca 0.24 -0.17 -0.31 0.00 0.02 0.00 0.00 55.36 55.14 1wif s GLN 52 Cb -0.17 -1.45 -0.11 0.00 1.00 0.00 0.00 33.01 32.29 1wif s GLN 52 CO 0.13 -0.32 1.76 0.42 -2.12 0.00 0.00 175.29 175.16 1wif s ILE 53 N 1.80 2.37 -0.25 1.08 1.01 -1.24 -2.39 121.20 123.58 1wif s ILE 53 Ca 0.04 0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.83 1wif s ILE 53 Cb -0.13 -3.06 -0.19 0.00 0.01 0.00 0.00 42.46 39.10 1wif s ILE 53 CO -0.07 0.00 -0.16 -0.24 0.00 0.00 0.00 174.94 174.47 1wif n SER 54 N 4.91 1.58 -3.83 3.58 2.88 -1.05 0.12 113.62 121.81 1wif n SER 54 Ca 0.17 -0.11 -0.12 0.00 -1.33 0.00 0.00 58.87 57.48 1wif n SER 54 Cb 0.37 -0.13 -0.10 0.00 -0.75 0.00 0.00 64.21 63.60 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 -2.51 -0.09 -0.02 0.66 5.65 -0.76 -4.76 115.29 113.46 1wif s HIS 55 Ca -0.30 0.17 -0.04 0.00 0.25 0.00 0.00 55.06 55.15 1wif s HIS 55 Cb 0.08 0.02 -0.04 0.00 -1.18 0.00 0.00 32.58 31.46 1wif s HIS 55 CO 0.65 -0.25 0.19 -0.51 -0.65 0.00 0.00 174.74 174.17 1wif s LEU 56 N -0.87 4.37 -0.67 8.88 1.43 -1.26 0.24 118.68 130.79 1wif s LEU 56 Ca -0.10 0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 53.13 1wif s LEU 56 Cb -0.05 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.63 1wif s LEU 56 CO 0.02 0.27 1.15 -0.63 0.23 0.00 0.00 176.35 177.39 1wif s ILE 57 N -1.30 4.00 0.20 -0.59 1.09 -1.26 -4.76 121.20 118.57 1wif s ILE 57 Ca 0.26 0.31 -0.09 0.00 -1.10 0.00 0.00 60.65 60.04 1wif s ILE 57 Cb -0.13 -4.78 0.29 0.00 -1.06 0.00 0.00 42.46 36.78 1wif s ILE 57 CO 0.17 -1.58 1.19 -3.20 -0.10 0.00 0.00 174.94 171.42 1wif n ASN 58 N 8.58 -0.36 -2.12 3.58 5.15 -1.26 0.18 115.26 129.01 1wif n ASN 58 Ca 0.02 1.32 -0.19 0.00 -0.60 0.00 0.00 54.58 55.14 1wif n ASN 58 Cb 0.48 -0.36 -0.04 0.00 -0.53 0.00 0.00 39.78 39.33 1wif n ASN 58 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wif n LYS 59 N -5.20 2.01 -2.85 1.20 4.76 -1.26 -4.69 118.16 112.14 1wif n LYS 59 Ca 0.11 -1.66 -0.08 0.00 -2.87 0.00 0.00 58.31 53.80 1wif n LYS 59 Cb 0.35 -1.84 -0.03 0.00 -1.84 0.00 0.00 35.03 31.68 1wif n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wif n GLY 60 N 1.00 3.74 0.08 0.72 0.00 0.47 -4.78 105.19 106.42 1wif n GLY 60 Ca 0.37 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 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 1.29 0.10 -0.33 4.61 0.00 -1.80 -3.31 119.26 119.83 1wif h ALA 61 Ca -0.10 -0.69 0.04 0.00 0.00 0.00 0.00 54.91 54.15 1wif h ALA 61 Cb 0.44 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1wif h ALA 61 CO 0.16 0.32 0.10 0.00 0.00 0.00 0.00 179.25 179.84 1wif h ALA 62 N -0.45 0.37 0.00 0.00 0.00 -1.91 0.35 119.26 117.61 1wif h ALA 62 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wif h ALA 62 Cb 0.90 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wif h ALA 62 CO -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.88 1wif n ALA 63 N -2.33 1.06 -0.02 0.00 0.00 -1.26 -0.14 120.51 117.82 1wif n ALA 63 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.60 1wif n ALA 63 Cb 0.12 -1.13 0.19 0.00 0.00 0.00 0.00 19.45 18.63 1wif n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wif n SER 64 N -1.80 3.14 -4.32 0.00 7.64 0.08 -4.86 113.62 113.51 1wif n SER 64 Ca -0.00 -1.92 -0.36 0.00 1.01 0.00 0.00 58.87 57.60 1wif n SER 64 Cb 0.02 -0.26 -0.14 0.00 -1.01 0.00 0.00 64.21 62.83 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 -1.10 4.60 0.00 6.43 -1.08 0.81 -4.96 116.67 121.36 1wif s ASP 65 Ca 0.31 -0.51 0.20 0.00 -0.52 0.00 0.00 52.55 52.03 1wif s ASP 65 Cb 0.17 -1.78 1.17 0.00 -1.46 0.00 0.00 42.92 41.02 1wif s ASP 65 CO 0.23 -0.08 1.57 0.61 0.52 0.00 0.00 175.17 178.02 1wif n GLY 66 N 4.81 -0.66 0.10 2.66 0.00 -1.26 -3.37 105.19 107.47 1wif n GLY 66 Ca -0.17 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.97 1.50 -2.81 -0.61 2.08 -1.26 -4.86 119.36 112.43 1wif n ILE 67 Ca 0.15 -0.02 -0.42 0.00 0.56 0.00 0.00 62.75 63.01 1wif n ILE 67 Cb 0.07 -2.13 -0.03 0.00 -0.75 0.00 0.00 39.64 36.79 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 -7.89 4.05 0.19 1.39 1.43 -1.22 -5.00 118.68 111.64 1wif s LEU 68 Ca -0.28 0.99 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 1wif s LEU 68 Cb 0.07 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1wif s LEU 68 CO 0.46 -0.66 -0.04 0.00 0.23 0.00 0.00 176.35 176.34 1wif s GLN 69 N 3.13 2.25 -1.16 1.70 -2.07 -1.26 -4.78 119.66 117.47 1wif s GLN 69 Ca 0.38 -1.22 -0.23 0.00 -1.82 0.00 0.00 55.36 52.47 1wif s GLN 69 Cb -0.14 -2.25 -0.08 0.00 -1.09 0.00 0.00 33.01 29.45 1wif s GLN 69 CO 0.10 0.43 1.94 -1.25 -1.32 0.00 0.00 175.29 175.19 1wif s PRO 70 N -3.00 2.49 0.00 9.60 0.04 -1.26 -3.45 135.00 139.42 1wif s PRO 70 Ca 0.27 -1.08 0.00 0.00 0.04 0.00 0.00 61.00 60.22 1wif s PRO 70 Cb -0.09 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1wif s PRO 70 CO 0.17 -3.94 0.00 0.41 0.04 0.00 0.00 177.00 173.69 1wif n GLY 71 N 5.90 0.00 0.00 0.56 0.00 0.32 -4.49 105.19 107.49 1wif n GLY 71 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1wif n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wif n ASP 72 N 0.00 1.19 -3.50 1.61 9.92 -1.22 -4.75 116.55 119.79 1wif n ASP 72 Ca 0.00 -0.80 -0.29 0.00 -0.53 0.00 0.00 54.79 53.17 1wif n ASP 72 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1wif n ASP 72 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wif s VAL 73 N 0.13 0.24 0.56 2.53 1.01 -1.11 -3.71 120.40 120.05 1wif s VAL 73 Ca 0.00 -1.68 -0.19 0.00 0.00 0.00 0.00 61.98 60.11 1wif s VAL 73 Cb 0.00 -1.19 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 1wif s VAL 73 CO 0.00 -0.95 0.74 0.18 0.00 0.00 0.00 175.10 175.07 1wif n LEU 74 N 4.13 2.03 -0.29 3.92 7.99 -1.23 -1.87 117.00 131.69 1wif n LEU 74 Ca 0.10 0.79 0.01 0.00 -0.01 0.00 0.00 56.01 56.90 1wif n LEU 74 Cb 0.37 -1.27 0.01 0.00 -0.11 0.00 0.00 43.42 42.42 1wif n LEU 74 CO 0.14 -2.45 0.28 -0.38 -1.51 0.00 0.00 177.39 173.47 1wif n ILE 75 N -1.58 0.16 0.00 -0.08 -0.00 0.28 -4.38 119.36 113.76 1wif n ILE 75 Ca 0.12 -0.18 0.00 0.00 -0.00 0.00 0.00 62.75 62.69 1wif n ILE 75 Cb 0.46 0.62 0.00 0.00 -0.00 0.00 0.00 39.64 40.73 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 -0.11 0.00 -4.48 4.38 3.41 -1.25 -4.38 113.62 111.18 1wif n SER 76 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 1wif n SER 76 Cb 0.61 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 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 4.15 -0.09 -3.33 1.01 -1.00 -4.11 120.40 117.03 1wif s VAL 77 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1wif s VAL 77 Cb 0.00 -4.77 -0.01 0.00 0.00 0.00 0.00 36.38 31.60 1wif s VAL 77 CO 0.00 -1.60 0.08 0.61 0.00 0.00 0.00 175.10 174.19 1wif n GLY 78 N 5.40 0.73 1.84 4.51 0.00 -1.26 -3.60 105.19 112.81 1wif n GLY 78 Ca 0.01 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.62 -0.47 -4.01 1.61 -0.00 -1.26 -4.87 115.22 104.61 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 -2.06 -0.15 0.00 -0.12 0.00 0.00 29.99 28.17 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 -1.67 2.85 -0.78 1.57 0.00 -1.24 -5.05 121.76 117.44 1wif s ALA 80 Ca 0.00 -2.52 -0.25 0.00 0.00 0.00 0.00 51.96 49.18 1wif s ALA 80 Cb 0.00 -1.96 -0.17 0.00 0.00 0.00 0.00 23.12 20.99 1wif s ALA 80 CO 0.00 -1.70 2.47 -1.71 0.00 0.00 0.00 175.76 174.83 1wif n ASN 81 N 4.24 0.99 -1.37 0.00 2.85 -1.26 -2.37 115.26 118.34 1wif n ASN 81 Ca 0.04 -0.44 0.06 0.00 -0.11 0.00 0.00 54.58 54.12 1wif n ASN 81 Cb 0.42 -1.22 0.28 0.00 1.24 0.00 0.00 39.78 40.49 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 7.59 1.68 -0.01 3.44 0.24 -1.26 -4.53 118.33 125.48 1wif n VAL 82 Ca 0.53 -0.92 -0.13 0.00 -2.04 0.00 0.00 64.34 61.77 1wif n VAL 82 Cb 0.30 -0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 32.40 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 2.88 -1.47 -2.17 1.34 6.46 -1.81 -1.95 115.31 118.59 1wif h LEU 83 Ca 0.00 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1wif h LEU 83 Cb 1.36 0.59 0.00 0.00 -0.73 0.00 0.00 40.66 41.88 1wif h LEU 83 CO 0.27 -0.45 0.00 0.61 -0.62 0.00 0.00 178.44 178.25 1wif n GLY 84 N -1.44 1.66 3.72 3.75 0.00 -1.26 -4.06 105.19 107.56 1wif n GLY 84 Ca -0.05 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1wif n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wif s TYR 85 N -1.37 2.96 0.88 1.61 1.51 -0.73 -4.95 117.35 117.26 1wif s TYR 85 Ca 0.40 0.48 -0.11 0.00 -1.01 0.00 0.00 57.07 56.83 1wif s TYR 85 Cb 0.22 -4.03 0.18 0.00 -0.11 0.00 0.00 41.96 38.21 1wif s TYR 85 CO 0.30 -3.86 1.21 0.95 -1.11 0.00 0.00 175.55 173.04 1wif s THR 86 N 1.22 2.04 0.28 -0.71 -4.23 -1.26 -4.37 115.64 108.61 1wif s THR 86 Ca 0.72 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1wif s THR 86 Cb -0.46 -2.84 0.12 0.00 1.34 0.00 0.00 72.50 70.66 1wif s THR 86 CO 0.32 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.44 1wif h LEU 87 N -1.26 0.65 -0.01 4.79 5.85 -1.94 0.31 115.31 123.69 1wif h LEU 87 Ca -0.42 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.04 1wif h LEU 87 Cb 1.25 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.11 1wif h LEU 87 CO 0.39 0.74 -0.43 0.03 -0.34 0.00 0.00 178.44 178.82 1wif h ARG 88 N 0.63 0.31 0.00 1.25 3.08 -2.00 -2.42 114.38 115.23 1wif h ARG 88 Ca 0.12 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 1wif h ARG 88 Cb 0.44 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1wif h ARG 88 CO 0.02 1.01 -0.24 0.93 -1.07 0.00 0.00 179.97 180.62 1wif h GLU 89 N -0.27 0.00 0.11 0.04 4.39 -1.91 -2.87 114.58 114.07 1wif h GLU 89 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1wif h GLU 89 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1wif h GLU 89 CO 0.09 0.24 -0.05 0.35 -1.16 0.00 0.00 179.01 178.48 1wif h PHE 90 N 0.00 -0.13 -1.06 4.33 3.57 -0.39 -2.80 116.94 120.45 1wif h PHE 90 Ca -0.00 -0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.80 1wif h PHE 90 Cb 0.73 0.04 -0.12 0.00 2.79 0.00 0.00 35.95 39.39 1wif h PHE 90 CO 0.00 -0.08 0.65 -0.07 -2.23 0.00 0.00 178.31 176.58 1wif h LEU 91 N -0.53 0.49 -1.18 0.59 -0.00 -1.52 1.12 115.31 114.28 1wif h LEU 91 Ca -0.01 0.13 -0.08 0.00 -0.00 0.00 0.00 57.88 57.92 1wif h LEU 91 Cb 0.11 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 1wif h LEU 91 CO 0.02 -0.01 -0.40 0.07 -0.00 0.00 0.00 178.44 178.12 1wif h LYS 92 N 0.37 0.00 0.50 1.13 5.09 -1.61 -2.45 116.57 119.61 1wif h LYS 92 Ca 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 61.40 1wif h LYS 92 Cb 1.65 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.99 1wif h LYS 92 CO -0.45 0.40 -0.24 1.25 -2.09 0.00 0.00 179.45 178.32 1wif h LEU 93 N 0.00 -0.57 -1.80 7.07 5.85 0.16 -3.19 115.31 122.83 1wif h LEU 93 Ca -0.00 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.89 1wif h LEU 93 Cb 0.74 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1wif h LEU 93 CO 0.05 -0.22 0.45 -0.07 -0.34 0.00 0.00 178.44 178.31 1wif h LEU 94 N -1.06 0.19 -0.93 2.25 -0.00 -1.47 0.36 115.31 114.65 1wif h LEU 94 Ca -0.07 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1wif h LEU 94 Cb 0.52 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1wif h LEU 94 CO 0.11 0.10 0.00 0.00 -0.00 0.00 0.00 178.44 178.65 1wif n GLN 95 N -4.42 0.12 -0.00 1.13 1.13 -0.92 -0.59 117.38 113.83 1wif n GLN 95 Ca 0.12 0.54 0.13 0.00 -1.94 0.00 0.00 57.00 55.85 1wif n GLN 95 Cb 0.57 -1.84 0.32 0.00 0.11 0.00 0.00 30.24 29.41 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 -2.09 2.21 -4.82 1.08 3.02 0.13 -4.93 115.26 109.87 1wif n ASN 96 Ca 0.00 -1.74 -0.34 0.00 -0.03 0.00 0.00 54.58 52.47 1wif n ASN 96 Cb 0.09 -0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 1wif n ASN 96 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wif s ILE 97 N -2.00 4.47 0.08 2.41 -1.09 0.24 -5.07 121.20 120.24 1wif s ILE 97 Ca 0.33 1.37 0.01 0.00 -2.23 0.00 0.00 60.65 60.13 1wif s ILE 97 Cb 0.21 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1wif s ILE 97 CO 0.32 -0.06 0.19 -0.89 -1.23 0.00 0.00 174.94 173.27 1wif s THR 98 N -1.85 5.20 0.44 2.92 2.01 -1.26 -5.05 115.64 118.05 1wif s THR 98 Ca 0.53 -0.52 -0.26 0.00 0.31 0.00 0.00 61.69 61.76 1wif s THR 98 Cb -0.13 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.74 1wif s THR 98 CO 0.18 0.10 1.42 -0.38 -0.69 0.00 0.00 174.62 175.26 1wif n ILE 99 N 0.20 2.71 -2.84 1.82 5.41 -1.26 -3.34 119.36 122.06 1wif n ILE 99 Ca -0.06 -0.50 -0.10 0.00 1.00 0.00 0.00 62.75 63.09 1wif n ILE 99 Cb 0.52 -1.83 0.05 0.00 -0.71 0.00 0.00 39.64 37.67 1wif n ILE 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wif n GLY 100 N 0.59 -0.02 3.25 7.39 0.00 -0.74 -5.01 105.19 110.65 1wif n GLY 100 Ca 0.05 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.21 1.81 -0.24 2.61 2.01 -1.21 -4.94 115.64 112.46 1wif s THR 101 Ca 0.01 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 60.92 1wif s THR 101 Cb -0.00 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 1wif s THR 101 CO 0.42 0.51 0.25 0.54 -0.69 0.00 0.00 174.62 175.65 1wif s VAL 102 N -0.44 5.29 0.06 3.82 0.11 -1.26 -3.31 120.40 124.67 1wif s VAL 102 Ca 0.06 0.35 0.03 0.00 -2.93 0.00 0.00 61.98 59.49 1wif s VAL 102 Cb -0.10 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 31.14 1wif s VAL 102 CO 0.00 0.28 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.20 1wif s LEU 103 N 1.42 2.32 -0.53 2.54 2.01 -1.26 -5.05 118.68 120.14 1wif s LEU 103 Ca 0.11 -0.68 -0.16 0.00 0.01 0.00 0.00 54.13 53.41 1wif s LEU 103 Cb -0.15 -0.23 0.12 0.00 0.01 0.00 0.00 46.19 45.94 1wif s LEU 103 CO 0.07 -0.24 0.48 -1.58 1.01 0.00 0.00 176.35 176.10 1wif s GLN 104 N -2.16 2.99 -0.65 1.70 0.74 -1.26 -3.59 119.66 117.43 1wif s GLN 104 Ca -0.03 -1.62 -0.20 0.00 0.05 0.00 0.00 55.36 53.56 1wif s GLN 104 Cb -0.06 -4.26 0.09 0.00 1.10 0.00 0.00 33.01 29.88 1wif s GLN 104 CO -0.00 -1.27 0.84 0.42 -0.55 0.00 0.00 175.29 174.73 1wif s ILE 105 N 1.64 4.61 -0.22 -2.34 -1.09 -0.98 -4.06 121.20 118.76 1wif s ILE 105 Ca 0.03 -0.79 -0.13 0.00 -2.23 0.00 0.00 60.65 57.54 1wif s ILE 105 Cb -0.29 -4.59 -0.05 0.00 -1.58 0.00 0.00 42.46 35.95 1wif s ILE 105 CO 0.04 -1.29 0.25 -0.75 -1.23 0.00 0.00 174.94 171.96 1wif s LYS 106 N 3.24 4.11 0.12 2.79 2.20 -1.26 -3.06 119.74 127.88 1wif s LYS 106 Ca 0.17 -0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.70 1wif s LYS 106 Cb -0.20 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 1wif s LYS 106 CO 0.07 0.03 -0.01 0.00 -0.36 0.00 0.00 175.35 175.07 1wif s ALA 107 N 1.15 1.02 0.10 3.13 0.00 0.42 0.99 121.76 128.57 1wif s ALA 107 Ca 0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 1wif s ALA 107 Cb -0.14 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1wif s ALA 107 CO 0.06 -0.33 0.26 0.71 0.00 0.00 0.00 175.76 176.46 1wif s TYR 108 N -3.75 3.50 -0.38 0.00 2.02 -0.78 -0.23 117.35 117.73 1wif s TYR 108 Ca 0.18 0.30 0.11 0.00 -0.37 0.00 0.00 57.07 57.28 1wif s TYR 108 Cb 0.06 -1.80 -0.13 0.00 -0.40 0.00 0.00 41.96 39.69 1wif s TYR 108 CO -0.01 0.54 0.40 0.54 -1.57 0.00 0.00 175.55 175.45 1wif n ARG 109 N 0.09 2.55 -0.02 -0.62 5.12 -1.26 -2.74 116.66 119.77 1wif n ARG 109 Ca -0.05 -0.03 -0.03 0.00 -1.93 0.00 0.00 57.85 55.81 1wif n ARG 109 Cb 0.52 -1.09 -0.02 0.00 -1.16 0.00 0.00 32.46 30.71 1wif n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wif n GLY 110 N 1.42 -0.09 0.00 -0.13 0.00 -1.26 -4.83 105.19 100.31 1wif n GLY 110 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.56 0.00 -4.11 1.61 7.35 -1.26 -4.54 117.46 113.94 1wif n PHE 111 Ca -0.08 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.39 1wif n PHE 111 Cb 0.60 -0.21 -0.05 0.00 0.35 0.00 0.00 39.48 40.17 1wif n PHE 111 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1wif s LEU 112 N -3.99 3.67 0.35 -2.13 1.43 -1.26 -5.14 118.68 111.61 1wif s LEU 112 Ca 0.00 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1wif s LEU 112 Cb 0.00 -2.20 -0.07 0.00 0.03 0.00 0.00 46.19 43.95 1wif s LEU 112 CO 0.00 -0.07 -0.06 -1.61 0.23 0.00 0.00 176.35 174.84 1wif s GLU 113 N -3.83 1.81 0.08 1.70 0.41 -1.26 -4.87 118.70 112.73 1wif s GLU 113 Ca 0.34 -1.96 -0.29 0.00 -0.41 0.00 0.00 54.97 52.65 1wif s GLU 113 Cb -0.07 -1.58 -0.05 0.00 -1.78 0.00 0.00 34.13 30.65 1wif s GLU 113 CO 0.24 0.07 0.91 0.42 -0.49 0.00 0.00 175.26 176.41 1wif s ILE 114 N -2.72 4.62 -0.01 -1.63 1.01 -1.26 -5.01 121.20 116.20 1wif s ILE 114 Ca 0.33 1.96 -0.30 0.00 0.00 0.00 0.00 60.65 62.64 1wif s ILE 114 Cb 0.05 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.19 1wif s ILE 114 CO 0.16 0.30 1.45 -2.16 0.00 0.00 0.00 174.94 174.70 1wif s PRO 115 N 0.15 4.26 0.09 2.79 0.04 -1.26 -4.93 135.00 136.13 1wif s PRO 115 Ca 0.46 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.30 1wif s PRO 115 Cb -0.22 -3.63 -0.12 0.00 0.04 0.00 0.00 34.50 30.57 1wif s PRO 115 CO 0.28 -0.63 1.67 1.96 0.04 0.00 0.00 177.00 180.32 1wif h GLN 116 N 8.10 0.15 -0.98 4.56 1.08 -1.94 -2.72 115.11 123.36 1wif h GLN 116 Ca -0.38 -0.02 0.31 0.00 -1.45 0.00 0.00 58.65 57.11 1wif h GLN 116 Cb 1.18 -0.03 -0.15 0.00 -0.05 0.00 0.00 27.48 28.43 1wif h GLN 116 CO 0.92 0.19 0.47 0.93 -0.95 0.00 0.00 178.83 180.39 1wif h GLU 117 N 0.07 0.24 0.47 1.46 5.08 -1.98 -0.93 114.58 118.99 1wif h GLU 117 Ca 0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1wif h GLU 117 Cb 0.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wif h GLU 117 CO -0.01 0.16 -0.41 -1.49 -1.00 0.00 0.00 179.01 176.27 1wif h TRP 118 N 0.25 -1.12 -2.57 4.33 4.06 -1.89 -3.42 115.95 115.59 1wif h TRP 118 Ca 0.70 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 61.06 1wif h TRP 118 Cb 1.60 0.43 0.11 0.00 -1.00 0.00 0.00 29.16 30.29 1wif h TRP 118 CO -0.08 -0.56 0.20 1.04 -3.56 0.00 0.00 178.44 175.48 1wif n GLN 119 N -4.90 1.47 0.33 0.49 1.13 -0.36 -4.92 117.38 110.62 1wif n GLN 119 Ca -0.10 0.51 -0.13 0.00 -1.94 0.00 0.00 57.00 55.34 1wif n GLN 119 Cb 0.38 -1.93 -0.06 0.00 0.11 0.00 0.00 30.24 28.74 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 2.18 -0.72 -4.30 1.08 1.82 -1.83 -3.46 116.42 111.19 1wif h ASP 120 Ca -0.41 0.02 -0.50 0.00 -0.39 0.00 0.00 57.03 55.76 1wif h ASP 120 Cb 1.33 0.19 -0.24 0.00 0.68 0.00 0.00 39.33 41.29 1wif h ASP 120 CO 0.62 -0.46 -0.81 -0.44 -1.61 0.00 0.00 179.24 176.54 1wif s SER 121 N -3.71 2.07 0.06 2.28 0.01 -1.26 -5.09 113.70 108.06 1wif s SER 121 Ca -0.12 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 56.64 1wif s SER 121 Cb 0.01 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.08 1wif s SER 121 CO 0.37 0.06 -0.15 -0.83 0.41 0.00 0.00 173.24 173.10 1wif s GLY 122 N -1.40 0.90 0.00 3.44 0.00 -1.26 -5.01 107.32 103.98 1wif s GLY 122 Ca 0.04 -0.97 0.13 0.00 0.00 0.00 0.00 44.72 43.92 1wif s GLY 122 CO 0.02 -0.97 1.22 -1.55 0.00 0.00 0.00 173.10 171.82 1wif n PRO 123 N 1.52 0.49 -2.55 2.90 -0.04 -1.26 -4.90 135.00 131.16 1wif n PRO 123 Ca -0.20 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.24 1wif n PRO 123 Cb 0.54 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1wif n PRO 123 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wif n SER 124 N -0.93 -6.97 0.00 3.54 7.64 -1.26 -5.02 113.62 110.62 1wif n SER 124 Ca 0.10 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1wif n SER 124 Cb 0.05 -4.62 0.00 0.00 -1.01 0.00 0.00 64.21 58.63 1wif n SER 124 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wif n SER 125 N 0.19 2.00 -0.91 6.43 2.88 -1.26 -5.35 113.62 117.60 1wif n SER 125 Ca 0.04 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.70 1wif n SER 125 Cb 0.16 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.77 1wif n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42