#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 -0.26 1.61 0.15 -1.26 -5.14 113.70 109.73 1wif s SER 2 Ca 0.00 -0.12 -0.28 0.00 0.70 0.00 0.00 55.95 56.25 1wif s SER 2 Cb 0.00 0.72 0.17 0.00 -1.71 0.00 0.00 66.02 65.20 1wif s SER 2 CO 0.00 -0.33 1.25 -0.94 1.20 0.00 0.00 173.24 174.43 1wif s SER 3 N 2.43 -0.17 0.00 5.45 1.04 -1.26 -5.19 113.70 116.01 1wif s SER 3 Ca 0.10 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1wif s SER 3 Cb -0.15 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1wif s SER 3 CO -0.17 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1wif n GLY 4 N 0.98 -1.12 3.64 7.32 0.00 -1.26 -5.17 105.19 109.58 1wif n GLY 4 Ca -0.06 -1.04 -0.04 0.00 0.00 0.00 0.00 46.02 44.88 1wif n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wif s SER 5 N -4.00 -0.13 0.46 1.61 0.01 -1.26 -5.19 113.70 105.21 1wif s SER 5 Ca 0.00 0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.50 1wif s SER 5 Cb 0.00 0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 1wif s SER 5 CO 0.00 -0.06 0.05 -0.55 0.41 0.00 0.00 173.24 173.09 1wif s SER 6 N -0.30 3.56 0.00 2.44 0.15 -1.26 -5.15 113.70 113.14 1wif s SER 6 Ca 0.07 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 55.07 1wif s SER 6 Cb -0.04 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1wif s SER 6 CO -0.11 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.08 1wif n GLY 7 N -1.10 -3.25 3.41 9.45 0.00 -1.26 -4.78 105.19 107.66 1wif n GLY 7 Ca -0.13 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 -5.86 -3.99 1.61 2.88 -1.26 -5.00 113.62 101.99 1wif n SER 8 Ca 0.00 -0.05 -0.10 0.00 -1.33 0.00 0.00 58.87 57.39 1wif n SER 8 Cb 0.00 -2.18 -0.07 0.00 -0.75 0.00 0.00 64.21 61.21 1wif n SER 8 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wif s LYS 9 N -2.46 1.31 -0.12 -1.46 1.02 -1.26 -5.03 119.74 111.74 1wif s LYS 9 Ca 0.36 -1.24 0.01 0.00 0.02 0.00 0.00 55.97 55.13 1wif s LYS 9 Cb -0.04 0.40 0.18 0.00 -0.52 0.00 0.00 37.83 37.85 1wif s LYS 9 CO 0.85 -0.50 1.24 0.27 -0.92 0.00 0.00 175.35 176.29 1wif n ASN 10 N -0.29 3.18 -3.80 2.83 6.94 -1.26 -4.80 115.26 118.07 1wif n ASN 10 Ca -0.04 -2.43 -0.12 0.00 -0.02 0.00 0.00 54.58 51.96 1wif n ASN 10 Cb 0.63 -0.59 -0.11 0.00 -2.36 0.00 0.00 39.78 37.35 1wif n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1wif s GLU 11 N -0.90 0.41 -0.04 -3.83 2.02 -1.26 -5.05 118.70 110.05 1wif s GLU 11 Ca 0.15 0.06 -0.03 0.00 0.02 0.00 0.00 54.97 55.17 1wif s GLU 11 Cb 0.13 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.56 1wif s GLU 11 CO 0.03 -0.08 0.07 1.17 0.02 0.00 0.00 175.26 176.46 1wif n LYS 12 N 2.26 -3.36 -1.49 1.61 4.81 -1.26 -4.59 118.16 116.15 1wif n LYS 12 Ca -0.17 2.51 -0.34 0.00 -0.87 0.00 0.00 58.31 59.44 1wif n LYS 12 Cb 0.57 -3.33 -0.08 0.00 0.02 0.00 0.00 35.03 32.22 1wif n LYS 12 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1wif n GLU 13 N 1.96 1.15 0.00 1.64 2.13 -1.26 -4.28 120.64 121.99 1wif n GLU 13 Ca -0.11 -1.96 0.00 0.00 0.66 0.00 0.00 57.16 55.74 1wif n GLU 13 Cb 0.18 -3.32 0.00 0.00 0.27 0.00 0.00 31.44 28.56 1wif n GLU 13 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1wif n GLN 14 N 7.80 1.54 -1.81 5.31 7.27 -1.26 -5.07 117.38 131.15 1wif n GLN 14 Ca 0.46 -1.03 -0.30 0.00 0.07 0.00 0.00 57.00 56.20 1wif n GLN 14 Cb 0.44 -0.86 0.05 0.00 2.41 0.00 0.00 30.24 32.28 1wif n GLN 14 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1wif s LEU 15 N -0.56 2.93 0.24 1.69 2.34 -1.26 -4.86 118.68 119.19 1wif s LEU 15 Ca 0.00 1.24 0.02 0.00 0.06 0.00 0.00 54.13 55.44 1wif s LEU 15 Cb 0.00 -4.06 -0.05 0.00 -0.56 0.00 0.00 46.19 41.52 1wif s LEU 15 CO 0.00 -1.35 0.07 -0.55 -1.06 0.00 0.00 176.35 173.46 1wif s SER 16 N -4.23 1.26 0.12 1.48 0.15 -1.26 -5.00 113.70 106.23 1wif s SER 16 Ca 0.58 -1.32 -0.33 0.00 0.70 0.00 0.00 55.95 55.58 1wif s SER 16 Cb -0.12 0.14 -0.12 0.00 -1.71 0.00 0.00 66.02 64.21 1wif s SER 16 CO 0.53 -0.67 1.75 1.17 1.20 0.00 0.00 173.24 177.21 1wif n LYS 17 N -0.41 2.53 0.00 5.44 3.00 -1.26 -4.78 118.16 122.68 1wif n LYS 17 Ca -0.02 0.92 0.00 0.00 -0.00 0.00 0.00 58.31 59.21 1wif n LYS 17 Cb 0.65 -2.76 0.00 0.00 0.00 0.00 0.00 35.03 32.92 1wif n LYS 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wif n ALA 18 N 4.81 0.00 -1.40 3.14 0.00 -1.26 -5.17 120.51 120.63 1wif n ALA 18 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 1wif n ALA 18 Cb 0.33 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 -0.98 -1.16 0.00 -0.00 -1.26 -4.94 118.16 109.82 1wif n LYS 19 Ca 0.00 -1.06 0.15 0.00 -0.00 0.00 0.00 58.31 57.40 1wif n LYS 19 Cb 0.00 -0.75 -0.04 0.00 -0.00 0.00 0.00 35.03 34.23 1wif n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wif n ALA 20 N -3.56 -3.38 -1.98 0.58 0.00 -1.26 -4.92 120.51 106.00 1wif n ALA 20 Ca -0.11 0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 1wif n ALA 20 Cb 0.31 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1wif n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wif n SER 21 N -4.33 -0.65 -4.90 0.00 7.64 -1.26 -5.15 113.62 104.97 1wif n SER 21 Ca -0.00 -1.30 -0.31 0.00 1.01 0.00 0.00 58.87 58.27 1wif n SER 21 Cb 0.63 0.23 -0.04 0.00 -1.01 0.00 0.00 64.21 64.02 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 0.02 5.19 0.00 0.44 0.11 -1.26 -5.02 120.40 119.87 1wif s VAL 22 Ca 0.01 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1wif s VAL 22 Cb 0.06 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1wif s VAL 22 CO -0.02 0.01 0.00 -1.20 -3.33 0.00 0.00 175.10 170.56 1wif n SER 23 N -0.03 0.00 -2.48 3.54 7.64 -1.26 -5.09 113.62 115.94 1wif n SER 23 Ca -0.03 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.80 1wif n SER 23 Cb 0.52 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 -0.41 -1.64 6.43 2.88 -1.26 -4.96 113.62 114.66 1wif n SER 24 Ca 0.00 1.21 -0.16 0.00 -1.33 0.00 0.00 58.87 58.59 1wif n SER 24 Cb 0.00 -4.85 0.08 0.00 -0.75 0.00 0.00 64.21 58.69 1wif n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wif n LEU 25 N 1.54 4.46 -4.05 2.46 4.77 -1.26 -4.96 117.00 119.96 1wif n LEU 25 Ca -0.39 -4.48 -0.32 0.00 -0.03 0.00 0.00 56.01 50.79 1wif n LEU 25 Cb 0.60 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 41.12 1wif n LEU 25 CO 0.36 1.87 -0.42 0.20 -1.33 0.00 0.00 177.39 178.07 1wif s ASN 26 N -3.39 4.53 -0.10 -1.43 0.02 -1.26 -5.11 114.94 108.20 1wif s ASN 26 Ca 0.48 -1.62 -0.06 0.00 -1.02 0.00 0.00 52.86 50.64 1wif s ASN 26 Cb 0.40 -1.56 -0.04 0.00 0.02 0.00 0.00 41.25 40.07 1wif s ASN 26 CO 0.01 -0.25 0.15 -1.59 0.02 0.00 0.00 177.10 175.44 1wif s LYS 27 N 1.05 3.44 0.34 -0.60 -2.85 -1.26 -5.03 119.74 114.84 1wif s LYS 27 Ca -0.03 -0.16 -0.29 0.00 -1.00 0.00 0.00 55.97 54.50 1wif s LYS 27 Cb -0.20 -3.18 -0.11 0.00 -2.06 0.00 0.00 37.83 32.29 1wif s LYS 27 CO -0.06 0.76 1.39 0.08 0.10 0.00 0.00 175.35 177.62 1wif s VAL 28 N -1.08 2.44 -0.09 1.79 1.01 -1.26 -4.51 120.40 118.70 1wif s VAL 28 Ca 0.17 0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.40 1wif s VAL 28 Cb -0.12 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1wif s VAL 28 CO 0.06 0.10 0.50 -0.63 0.00 0.00 0.00 175.10 175.13 1wif s ILE 29 N -1.04 5.13 -0.17 2.22 -1.09 0.01 -4.95 121.20 121.31 1wif s ILE 29 Ca 0.51 1.00 -0.06 0.00 -2.23 0.00 0.00 60.65 59.88 1wif s ILE 29 Cb -0.43 -3.83 0.08 0.00 -1.58 0.00 0.00 42.46 36.70 1wif s ILE 29 CO 0.56 0.36 0.35 0.00 -1.23 0.00 0.00 174.94 174.98 1wif s GLN 30 N 0.36 0.24 0.04 2.79 -2.07 -1.25 -0.17 119.66 119.61 1wif s GLN 30 Ca 0.27 0.89 -0.07 0.00 -1.82 0.00 0.00 55.36 54.63 1wif s GLN 30 Cb -0.16 0.14 -0.01 0.00 -1.09 0.00 0.00 33.01 31.90 1wif s GLN 30 CO 0.12 -0.28 0.13 -0.08 -1.32 0.00 0.00 175.29 173.86 1wif s THR 31 N 2.52 0.13 -0.37 3.63 -1.32 -1.17 -4.97 115.64 114.09 1wif s THR 31 Ca -0.00 -1.06 -0.13 0.00 -1.21 0.00 0.00 61.69 59.29 1wif s THR 31 Cb -0.12 -0.95 0.01 0.00 -1.51 0.00 0.00 72.50 69.93 1wif s THR 31 CO -0.11 -0.59 0.24 -0.54 -2.21 0.00 0.00 174.62 171.41 1wif s LYS 32 N -2.72 3.11 0.50 7.08 3.01 -1.26 -2.60 119.74 126.87 1wif s LYS 32 Ca -0.04 -0.90 -0.06 0.00 -1.01 0.00 0.00 55.97 53.96 1wif s LYS 32 Cb -0.00 -3.81 -0.04 0.00 -1.01 0.00 0.00 37.83 32.97 1wif s LYS 32 CO -0.05 -0.61 0.82 -0.51 0.51 0.00 0.00 175.35 175.51 1wif s LEU 33 N 1.65 3.57 -0.58 3.17 1.43 -1.24 -4.93 118.68 121.74 1wif s LEU 33 Ca 0.04 1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 54.05 1wif s LEU 33 Cb -0.18 -3.98 0.15 0.00 0.03 0.00 0.00 46.19 42.21 1wif s LEU 33 CO 0.09 -0.62 0.47 -0.89 0.23 0.00 0.00 176.35 175.63 1wif s THR 34 N -2.80 4.55 -0.04 5.49 2.01 -1.26 -4.17 115.64 119.42 1wif s THR 34 Ca 0.49 -2.11 -0.36 0.00 0.31 0.00 0.00 61.69 60.02 1wif s THR 34 Cb -0.10 -3.93 -0.14 0.00 0.01 0.00 0.00 72.50 68.33 1wif s THR 34 CO 0.46 -0.86 1.68 0.52 -0.69 0.00 0.00 174.62 175.73 1wif n VAL 35 N 4.50 0.27 -1.24 3.82 0.31 -1.24 -4.49 118.33 120.27 1wif n VAL 35 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1wif n VAL 35 Cb 0.41 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1wif n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wif n GLY 36 N 3.78 1.34 0.10 2.92 0.00 -1.26 -1.07 105.19 111.00 1wif n GLY 36 Ca 0.21 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 1wif n GLY 36 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wif h ASN 37 N 0.00 0.29 0.14 1.61 -1.24 -1.94 -3.24 115.58 111.20 1wif h ASN 37 Ca 0.00 -0.29 0.00 0.00 0.71 0.00 0.00 56.30 56.72 1wif h ASN 37 Cb 0.00 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1wif h ASN 37 CO 0.00 1.21 -0.29 0.18 -1.29 0.00 0.00 177.43 177.24 1wif n LEU 38 N -3.50 1.39 -1.72 0.34 4.77 -1.26 -5.01 117.00 112.01 1wif n LEU 38 Ca -0.05 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1wif n LEU 38 Cb 0.97 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1wif n LEU 38 CO 0.51 0.26 -0.50 0.61 -1.33 0.00 0.00 177.39 176.94 1wif n GLY 39 N 1.35 -4.73 3.52 -0.72 0.00 -1.22 -4.49 105.19 98.89 1wif n GLY 39 Ca 0.12 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.04 0.77 -0.39 0.99 -0.00 -1.26 -4.73 117.00 111.34 1wif n LEU 40 Ca 0.00 -0.11 0.06 0.00 -0.00 0.00 0.00 56.01 55.96 1wif n LEU 40 Cb 0.05 -1.10 0.21 0.00 -0.00 0.00 0.00 43.42 42.57 1wif n LEU 40 CO 0.00 -1.06 0.65 0.61 -0.00 0.00 0.00 177.39 177.60 1wif n GLY 41 N 6.31 -0.04 0.02 1.47 0.00 -1.26 -4.95 105.19 106.74 1wif n GLY 41 Ca 0.58 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.07 0.00 -4.57 0.99 -0.00 -1.26 -4.65 117.00 107.58 1wif n LEU 42 Ca 0.10 0.01 -0.43 0.00 -0.00 0.00 0.00 56.01 55.69 1wif n LEU 42 Cb 0.20 -0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.61 1wif n LEU 42 CO 0.07 -0.01 1.87 -0.69 -0.00 0.00 0.00 177.39 178.63 1wif s VAL 43 N 0.00 4.09 0.48 1.47 1.01 0.49 -4.88 120.40 123.07 1wif s VAL 43 Ca 0.00 -1.69 -0.16 0.00 0.00 0.00 0.00 61.98 60.13 1wif s VAL 43 Cb -0.01 -5.17 -0.08 0.00 0.00 0.00 0.00 36.38 31.13 1wif s VAL 43 CO 0.00 -2.00 0.95 -0.69 0.00 0.00 0.00 175.10 173.36 1wif s VAL 44 N 4.34 4.55 0.08 2.92 1.01 -1.26 -1.31 120.40 130.72 1wif s VAL 44 Ca 0.52 1.18 0.07 0.00 0.00 0.00 0.00 61.98 63.75 1wif s VAL 44 Cb 0.03 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1wif s VAL 44 CO 0.04 -0.60 -0.18 0.27 0.00 0.00 0.00 175.10 174.63 1wif s ILE 45 N -2.52 1.47 -1.05 2.22 -4.36 -0.56 -4.74 121.20 111.66 1wif s ILE 45 Ca 0.58 -1.35 -0.22 0.00 -0.26 0.00 0.00 60.65 59.40 1wif s ILE 45 Cb -0.10 -1.34 0.05 0.00 1.25 0.00 0.00 42.46 42.32 1wif s ILE 45 CO 0.28 -0.05 1.50 -1.58 0.24 0.00 0.00 174.94 175.33 1wif s GLN 46 N -1.64 3.60 -0.57 0.37 -0.44 -1.26 -2.97 119.66 116.75 1wif s GLN 46 Ca 0.04 -1.19 0.04 0.00 -2.50 0.00 0.00 55.36 51.75 1wif s GLN 46 Cb -0.09 -5.37 0.14 0.00 -1.64 0.00 0.00 33.01 26.05 1wif s GLN 46 CO 0.03 -2.26 0.32 1.21 0.50 0.00 0.00 175.29 175.09 1wif s ASN 47 N 5.00 4.47 0.00 6.67 2.47 -1.26 -5.03 114.94 127.27 1wif s ASN 47 Ca 0.48 -3.21 0.00 0.00 0.42 0.00 0.00 52.86 50.55 1wif s ASN 47 Cb 0.00 -1.65 0.00 0.00 -1.45 0.00 0.00 41.25 38.15 1wif s ASN 47 CO -0.08 -0.20 0.00 0.61 -3.72 0.00 0.00 177.10 173.71 1wif n GLY 48 N 2.85 -2.37 0.00 1.21 0.00 -1.26 -4.24 105.19 101.38 1wif n GLY 48 Ca 0.09 -1.77 0.05 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.16 0.49 -4.25 1.61 -0.04 -1.26 -4.69 135.00 126.69 1wif n PRO 49 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1wif n PRO 49 Cb 0.00 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.00 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 1.55 -0.46 0.54 2.02 -1.26 -4.29 117.35 113.46 1wif s TYR 50 Ca 0.16 -0.47 -0.28 0.00 -0.37 0.00 0.00 57.07 56.11 1wif s TYR 50 Cb 0.07 -0.84 0.03 0.00 -0.40 0.00 0.00 41.96 40.83 1wif s TYR 50 CO 0.13 0.17 1.10 -0.51 -1.57 0.00 0.00 175.55 174.86 1wif s LEU 51 N -2.09 3.72 -0.35 -1.29 2.01 -1.26 -4.01 118.68 115.41 1wif s LEU 51 Ca 0.06 0.48 -0.12 0.00 0.01 0.00 0.00 54.13 54.56 1wif s LEU 51 Cb -0.08 -3.50 -0.01 0.00 0.01 0.00 0.00 46.19 42.62 1wif s LEU 51 CO 0.04 -1.18 0.23 -1.10 1.01 0.00 0.00 176.35 175.35 1wif s GLN 52 N 4.26 3.32 0.01 1.70 -0.21 -1.16 -2.81 119.66 124.78 1wif s GLN 52 Ca 0.46 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.78 1wif s GLN 52 Cb -0.08 -3.78 -0.08 0.00 1.00 0.00 0.00 33.01 30.07 1wif s GLN 52 CO 0.29 -0.51 1.86 0.42 -2.12 0.00 0.00 175.29 175.23 1wif s ILE 53 N 1.68 3.20 -0.05 1.08 1.01 -1.26 -1.50 121.20 125.36 1wif s ILE 53 Ca 0.05 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1wif s ILE 53 Cb -0.18 -3.16 -0.27 0.00 0.01 0.00 0.00 42.46 38.86 1wif s ILE 53 CO 0.09 -0.02 0.65 -1.28 0.00 0.00 0.00 174.94 174.38 1wif h SER 54 N 10.22 0.40 -4.48 3.58 0.87 -1.53 0.53 113.55 123.14 1wif h SER 54 Ca -0.46 -0.67 -0.02 0.00 -1.23 0.00 0.00 61.79 59.41 1wif h SER 54 Cb 1.22 -0.13 -0.21 0.00 -0.44 0.00 0.00 62.40 62.84 1wif h SER 54 CO 0.94 1.58 0.26 -2.28 -0.53 0.00 0.00 176.83 176.81 1wif s HIS 55 N -2.59 -0.62 -0.19 2.24 5.65 -0.43 -4.81 115.29 114.55 1wif s HIS 55 Ca -0.14 1.21 -0.10 0.00 0.25 0.00 0.00 55.06 56.29 1wif s HIS 55 Cb 0.07 0.38 -0.05 0.00 -1.18 0.00 0.00 32.58 31.80 1wif s HIS 55 CO 0.83 -0.48 0.14 -0.51 -0.65 0.00 0.00 174.74 174.06 1wif s LEU 56 N -0.72 4.24 -0.47 8.88 1.43 -1.26 0.18 118.68 130.96 1wif s LEU 56 Ca -0.06 0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 1wif s LEU 56 Cb -0.02 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1wif s LEU 56 CO 0.05 0.21 1.81 -0.63 0.23 0.00 0.00 176.35 178.02 1wif s ILE 57 N 0.14 3.45 0.22 -0.59 1.09 -1.26 -4.72 121.20 119.52 1wif s ILE 57 Ca 0.09 0.38 -0.08 0.00 -1.10 0.00 0.00 60.65 59.94 1wif s ILE 57 Cb -0.11 -3.82 0.34 0.00 -1.06 0.00 0.00 42.46 37.80 1wif s ILE 57 CO -0.01 -0.67 1.28 -3.20 -0.10 0.00 0.00 174.94 172.24 1wif n ASN 58 N 11.45 -0.35 -1.65 3.58 5.15 -1.26 0.15 115.26 132.33 1wif n ASN 58 Ca 0.21 1.41 -0.04 0.00 -0.60 0.00 0.00 54.58 55.57 1wif n ASN 58 Cb 0.50 -0.40 -0.04 0.00 -0.53 0.00 0.00 39.78 39.30 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 -5.31 1.30 -0.30 1.20 5.02 -1.26 -4.23 118.16 114.58 1wif n LYS 59 Ca 0.12 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1wif n LYS 59 Cb 0.39 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1wif n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wif n GLY 60 N 1.70 6.26 0.13 0.72 0.00 0.40 -4.87 105.19 109.53 1wif n GLY 60 Ca 0.12 -1.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 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 1.21 -0.03 4.61 0.00 -1.26 -3.87 120.51 118.17 1wif n ALA 61 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 53.44 52.40 1wif n ALA 61 Cb 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 1wif n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wif h ALA 62 N -0.06 0.06 -0.35 0.00 0.00 -1.91 -2.72 119.26 114.27 1wif h ALA 62 Ca -0.53 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.14 1wif h ALA 62 Cb 1.90 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1wif h ALA 62 CO -0.06 -0.14 0.24 0.00 0.00 0.00 0.00 179.25 179.28 1wif h ALA 63 N 0.51 1.93 -0.02 0.00 0.00 -1.80 0.16 119.26 120.04 1wif h ALA 63 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wif h ALA 63 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1wif h ALA 63 CO 0.01 0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1wif n SER 64 N -4.48 0.78 -4.30 0.00 7.64 -1.19 -4.71 113.62 107.36 1wif n SER 64 Ca 0.04 -1.32 -0.36 0.00 1.01 0.00 0.00 58.87 58.23 1wif n SER 64 Cb 0.19 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.91 4.94 0.00 6.43 -1.08 0.55 -4.99 116.67 120.61 1wif s ASP 65 Ca 0.40 -0.81 -0.04 0.00 -0.52 0.00 0.00 52.55 51.58 1wif s ASP 65 Cb 0.20 -1.82 -0.19 0.00 -1.46 0.00 0.00 42.92 39.65 1wif s ASP 65 CO 0.33 -0.19 2.89 0.61 0.52 0.00 0.00 175.17 179.33 1wif n GLY 66 N 4.80 2.60 0.99 2.66 0.00 -1.26 -3.42 105.19 111.56 1wif n GLY 66 Ca -0.15 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 2.41 0.00 -3.25 -0.61 2.08 -1.26 -5.06 119.36 113.67 1wif n ILE 67 Ca 0.30 0.00 -0.39 0.00 0.56 0.00 0.00 62.75 63.22 1wif n ILE 67 Cb 0.72 -0.51 -0.06 0.00 -0.75 0.00 0.00 39.64 39.03 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 -4.56 4.21 0.23 1.39 1.43 -1.22 -5.01 118.68 115.15 1wif s LEU 68 Ca 0.00 0.77 0.07 0.00 -1.03 0.00 0.00 54.13 53.95 1wif s LEU 68 Cb 0.00 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1wif s LEU 68 CO 0.00 -0.11 0.10 0.00 0.23 0.00 0.00 176.35 176.56 1wif s GLN 69 N 1.22 2.66 -1.12 1.70 0.00 -1.26 -4.83 119.66 118.03 1wif s GLN 69 Ca 0.26 -1.13 -0.23 0.00 -0.00 0.00 0.00 55.36 54.26 1wif s GLN 69 Cb -0.15 -2.43 -0.08 0.00 0.00 0.00 0.00 33.01 30.35 1wif s GLN 69 CO 0.10 0.41 1.94 -1.25 0.00 0.00 0.00 175.29 176.50 1wif s PRO 70 N -3.51 2.51 0.00 9.60 0.04 -1.26 -3.20 135.00 139.18 1wif s PRO 70 Ca 0.31 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.39 1wif s PRO 70 Cb -0.08 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1wif s PRO 70 CO 0.22 -3.84 0.00 0.41 0.04 0.00 0.00 177.00 173.83 1wif n GLY 71 N 6.05 0.44 0.17 0.56 0.00 0.19 -4.57 105.19 108.03 1wif n GLY 71 Ca 0.44 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.54 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 1.17 -2.38 1.61 5.68 -1.19 -4.90 116.55 116.54 1wif n ASP 72 Ca 0.00 -1.09 -0.03 0.00 -0.50 0.00 0.00 54.79 53.17 1wif n ASP 72 Cb 0.00 0.77 -0.03 0.00 -1.14 0.00 0.00 41.12 40.72 1wif n ASP 72 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1wif n VAL 73 N -0.82-12.08 -2.67 2.12 0.31 -1.26 0.16 118.33 104.09 1wif n VAL 73 Ca 0.05 2.64 -0.33 0.00 -0.01 0.00 0.00 64.34 66.69 1wif n VAL 73 Cb 0.30 -6.10 -0.05 0.00 -0.91 0.00 0.00 33.84 27.08 1wif n VAL 73 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1wif s LEU 74 N -0.57 3.87 -0.01 7.52 1.43 -1.12 -1.88 118.68 127.91 1wif s LEU 74 Ca -0.17 1.76 0.04 0.00 -1.03 0.00 0.00 54.13 54.73 1wif s LEU 74 Cb 0.01 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.76 1wif s LEU 74 CO 0.47 -0.54 1.03 -0.38 0.23 0.00 0.00 176.35 177.16 1wif n ILE 75 N -0.87 0.16 0.00 -0.59 -0.00 0.63 -4.41 119.36 114.28 1wif n ILE 75 Ca 0.08 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 1wif n ILE 75 Cb 0.53 0.49 0.00 0.00 -0.00 0.00 0.00 39.64 40.67 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 -0.06 0.00 -4.64 4.38 3.41 -1.25 -4.42 113.62 111.03 1wif n SER 76 Ca 0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.24 1wif n SER 76 Cb 0.74 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.62 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 5.13 -0.97 -3.33 1.01 -1.00 -3.74 120.40 117.50 1wif s VAL 77 Ca 0.00 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 1wif s VAL 77 Cb 0.00 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 1wif s VAL 77 CO 0.00 0.16 0.85 0.61 0.00 0.00 0.00 175.10 176.72 1wif n GLY 78 N 4.26 -0.96 1.57 4.51 0.00 -1.23 -2.13 105.19 111.20 1wif n GLY 78 Ca -0.06 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.13 -0.88 -3.99 1.61 -0.00 -1.26 -4.85 115.22 102.72 1wif n HIS 79 Ca -0.08 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.80 1wif n HIS 79 Cb 0.61 -1.66 -0.15 0.00 -0.12 0.00 0.00 29.99 28.67 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 -1.57 2.74 -0.83 1.57 0.00 -0.90 -5.04 121.76 117.72 1wif s ALA 80 Ca 0.00 -2.41 -0.17 0.00 0.00 0.00 0.00 51.96 49.38 1wif s ALA 80 Cb 0.00 -1.92 -0.21 0.00 0.00 0.00 0.00 23.12 20.99 1wif s ALA 80 CO 0.00 -1.67 2.15 -1.71 0.00 0.00 0.00 175.76 174.54 1wif n ASN 81 N 4.32 0.14 -0.17 0.00 2.85 -1.26 -2.38 115.26 118.75 1wif n ASN 81 Ca 0.03 -1.22 0.06 0.00 -0.11 0.00 0.00 54.58 53.34 1wif n ASN 81 Cb 0.42 -1.14 0.31 0.00 1.24 0.00 0.00 39.78 40.62 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 7.16 0.09 -0.30 3.44 0.24 -1.26 -4.11 118.33 123.59 1wif n VAL 82 Ca 0.50 -0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.81 1wif n VAL 82 Cb 0.33 -0.03 0.29 0.00 -1.47 0.00 0.00 33.84 32.96 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 0.62 0.38 -3.43 1.34 6.46 -1.77 -0.08 115.31 118.82 1wif h LEU 83 Ca 0.00 0.14 -0.22 0.00 -0.12 0.00 0.00 57.88 57.68 1wif h LEU 83 Cb 0.14 0.11 -0.13 0.00 -0.73 0.00 0.00 40.66 40.04 1wif h LEU 83 CO 0.00 0.05 -0.00 0.61 -0.62 0.00 0.00 178.44 178.47 1wif n GLY 84 N -1.33 4.86 3.95 3.75 0.00 -1.26 -4.23 105.19 110.93 1wif n GLY 84 Ca 0.21 -1.21 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.26 3.27 0.30 1.61 1.51 -0.05 -5.05 117.35 115.69 1wif s TYR 85 Ca 0.46 0.21 0.08 0.00 -1.01 0.00 0.00 57.07 56.81 1wif s TYR 85 Cb 0.42 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1wif s TYR 85 CO 0.01 -0.21 0.15 0.95 -1.11 0.00 0.00 175.55 175.34 1wif s THR 86 N -2.46 3.53 0.19 -0.71 -4.23 -1.26 -4.45 115.64 106.25 1wif s THR 86 Ca 0.46 -1.61 -0.14 0.00 -1.18 0.00 0.00 61.69 59.21 1wif s THR 86 Cb -0.10 -3.08 0.14 0.00 1.34 0.00 0.00 72.50 70.80 1wif s THR 86 CO 0.37 -0.26 1.67 0.25 -0.54 0.00 0.00 174.62 176.10 1wif h LEU 87 N 1.55 -0.34 0.38 4.79 6.46 -1.95 0.87 115.31 127.07 1wif h LEU 87 Ca -0.45 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.43 1wif h LEU 87 Cb 1.25 0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.45 1wif h LEU 87 CO 0.61 -0.12 -0.18 0.03 -0.62 0.00 0.00 178.44 178.15 1wif h ARG 88 N 0.05 -0.49 -0.43 1.25 3.08 -1.97 0.85 114.38 116.72 1wif h ARG 88 Ca 0.25 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.46 1wif h ARG 88 Cb 0.38 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1wif h ARG 88 CO -0.47 -0.33 0.49 0.93 -1.07 0.00 0.00 179.97 179.52 1wif h GLU 89 N -0.65 0.00 0.09 0.04 4.39 -1.94 -0.77 114.58 115.74 1wif h GLU 89 Ca -0.05 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1wif h GLU 89 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1wif h GLU 89 CO 0.09 0.00 -0.04 0.35 -1.16 0.00 0.00 179.01 178.24 1wif h PHE 90 N 0.00 -0.11 -0.83 4.33 3.57 0.92 -2.41 116.94 122.41 1wif h PHE 90 Ca 0.20 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.93 1wif h PHE 90 Cb 1.19 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 1wif h PHE 90 CO 0.00 -0.07 0.58 -0.07 -2.23 0.00 0.00 178.31 176.52 1wif h LEU 91 N -0.97 0.09 -0.10 0.59 -0.00 -0.20 0.41 115.31 115.12 1wif h LEU 91 Ca -0.01 0.01 -0.19 0.00 -0.00 0.00 0.00 57.88 57.69 1wif h LEU 91 Cb 0.09 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 1wif h LEU 91 CO 0.02 0.03 -0.88 0.07 -0.00 0.00 0.00 178.44 177.68 1wif h LYS 92 N 0.08 0.00 0.25 1.13 5.09 -1.26 -3.12 116.57 118.74 1wif h LYS 92 Ca 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 61.13 1wif h LYS 92 Cb 1.46 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.80 1wif h LYS 92 CO -0.04 0.88 -0.12 1.25 -2.09 0.00 0.00 179.45 179.33 1wif h LEU 93 N 0.00 -0.28 -1.90 7.07 5.85 0.35 -3.06 115.31 123.33 1wif h LEU 93 Ca -0.01 0.01 0.23 0.00 0.84 0.00 0.00 57.88 58.95 1wif h LEU 93 Cb 1.63 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.69 1wif h LEU 93 CO 0.11 -0.17 0.59 -0.07 -0.34 0.00 0.00 178.44 178.57 1wif h LEU 94 N -0.39 0.08 -2.22 2.25 -0.00 -1.63 0.34 115.31 113.75 1wif h LEU 94 Ca -0.03 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.90 1wif h LEU 94 Cb 0.25 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1wif h LEU 94 CO 0.06 0.03 0.16 1.56 -0.00 0.00 0.00 178.44 180.24 1wif h GLN 95 N 0.08 0.00 -0.06 1.13 1.08 -1.46 0.28 115.11 116.15 1wif h GLN 95 Ca 0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1wif h GLN 95 Cb 1.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.93 1wif h GLN 95 CO -0.04 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.93 1wif n ASN 96 N -3.97 0.36 -4.84 1.46 3.02 0.12 -4.85 115.26 106.56 1wif n ASN 96 Ca 0.01 -1.86 -0.33 0.00 -0.03 0.00 0.00 54.58 52.37 1wif n ASN 96 Cb 0.28 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.92 4.59 0.32 2.41 -1.09 0.96 -5.08 121.20 121.39 1wif s ILE 97 Ca 0.11 1.12 0.05 0.00 -2.23 0.00 0.00 60.65 59.70 1wif s ILE 97 Cb 0.05 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 1wif s ILE 97 CO 0.08 -0.21 0.47 -0.89 -1.23 0.00 0.00 174.94 173.15 1wif s THR 98 N -2.03 4.44 0.39 2.92 2.01 -1.26 -5.01 115.64 117.10 1wif s THR 98 Ca 0.56 -0.91 -0.27 0.00 0.31 0.00 0.00 61.69 61.38 1wif s THR 98 Cb -0.10 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 1wif s THR 98 CO 0.16 -0.24 1.31 -0.63 -0.69 0.00 0.00 174.62 174.53 1wif s ILE 99 N -2.17 2.62 -0.88 1.82 1.01 -1.26 -3.54 121.20 118.80 1wif s ILE 99 Ca 0.42 0.57 -0.01 0.00 0.00 0.00 0.00 60.65 61.63 1wif s ILE 99 Cb -0.09 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1wif s ILE 99 CO 0.31 0.10 0.74 0.61 0.00 0.00 0.00 174.94 176.70 1wif n GLY 100 N 0.68 -0.25 3.26 6.18 0.00 -0.24 -5.00 105.19 109.82 1wif n GLY 100 Ca 0.03 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.27 2.42 -0.48 2.61 2.01 -1.23 -4.94 115.64 112.75 1wif s THR 101 Ca 0.06 -0.88 -0.22 0.00 0.31 0.00 0.00 61.69 60.96 1wif s THR 101 Cb -0.01 -1.97 0.03 0.00 0.01 0.00 0.00 72.50 70.56 1wif s THR 101 CO 0.55 0.54 0.77 -0.69 -0.69 0.00 0.00 174.62 175.10 1wif s VAL 102 N 0.46 4.66 0.12 3.82 1.01 -1.26 -3.66 120.40 125.55 1wif s VAL 102 Ca -0.13 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1wif s VAL 102 Cb -0.17 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1wif s VAL 102 CO 0.06 -0.80 -0.12 -0.76 0.00 0.00 0.00 175.10 173.48 1wif s LEU 103 N 3.24 2.93 -0.43 3.92 2.01 -1.26 -5.01 118.68 124.09 1wif s LEU 103 Ca 0.26 -0.47 -0.15 0.00 0.01 0.00 0.00 54.13 53.79 1wif s LEU 103 Cb -0.14 -1.72 0.04 0.00 0.01 0.00 0.00 46.19 44.38 1wif s LEU 103 CO 0.20 0.16 0.32 -1.58 1.01 0.00 0.00 176.35 176.46 1wif s GLN 104 N -2.31 2.95 -0.54 1.70 0.74 -1.26 -3.73 119.66 117.21 1wif s GLN 104 Ca 0.21 -1.14 -0.16 0.00 0.05 0.00 0.00 55.36 54.32 1wif s GLN 104 Cb -0.11 -4.00 0.12 0.00 1.10 0.00 0.00 33.01 30.13 1wif s GLN 104 CO 0.13 -0.84 0.51 0.42 -0.55 0.00 0.00 175.29 174.96 1wif s ILE 105 N 1.65 5.18 -0.36 -2.34 -1.09 -1.07 -3.55 121.20 119.62 1wif s ILE 105 Ca 0.04 -1.43 -0.14 0.00 -2.23 0.00 0.00 60.65 56.89 1wif s ILE 105 Cb -0.21 -4.34 -0.00 0.00 -1.58 0.00 0.00 42.46 36.33 1wif s ILE 105 CO 0.08 -0.87 0.28 -0.75 -1.23 0.00 0.00 174.94 172.45 1wif s LYS 106 N 1.69 3.34 0.33 2.79 2.20 -1.25 -3.07 119.74 125.77 1wif s LYS 106 Ca 0.04 -0.73 0.05 0.00 -0.36 0.00 0.00 55.97 54.97 1wif s LYS 106 Cb -0.29 -3.86 -0.07 0.00 -1.51 0.00 0.00 37.83 32.10 1wif s LYS 106 CO 0.03 -0.56 0.01 0.00 -0.36 0.00 0.00 175.35 174.47 1wif s ALA 107 N 1.77 2.56 -0.15 3.13 0.00 0.77 -0.27 121.76 129.56 1wif s ALA 107 Ca 0.07 -2.08 -0.04 0.00 0.00 0.00 0.00 51.96 49.91 1wif s ALA 107 Cb -0.18 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1wif s ALA 107 CO 0.11 -0.19 -0.03 0.71 0.00 0.00 0.00 175.76 176.36 1wif s TYR 108 N -3.07 3.05 0.05 0.00 2.02 0.42 -0.81 117.35 119.01 1wif s TYR 108 Ca 0.34 -0.23 -0.33 0.00 -0.37 0.00 0.00 57.07 56.49 1wif s TYR 108 Cb 0.08 -1.96 -0.19 0.00 -0.40 0.00 0.00 41.96 39.49 1wif s TYR 108 CO 0.15 0.02 1.47 0.00 -1.57 0.00 0.00 175.55 175.62 1wif h ARG 109 N 6.58 -0.98 -3.10 -0.62 2.47 -1.79 -3.38 114.38 113.56 1wif h ARG 109 Ca -0.33 0.07 -0.62 0.00 -1.26 0.00 0.00 59.98 57.84 1wif h ARG 109 Cb 1.19 0.22 -0.40 0.00 -1.65 0.00 0.00 29.97 29.33 1wif h ARG 109 CO 0.63 -0.64 -0.70 0.20 0.56 0.00 0.00 179.97 180.03 1wif s GLY 110 N -2.18 2.02 0.00 0.04 0.00 -1.26 -4.86 107.32 101.08 1wif s GLY 110 Ca -0.17 -2.92 0.00 0.00 0.00 0.00 0.00 44.72 41.63 1wif s GLY 110 CO 0.57 1.35 0.00 0.33 0.00 0.00 0.00 173.10 175.35 1wif n PHE 111 N 3.24 0.00 -4.06 1.90 7.35 -1.26 -5.04 117.46 119.58 1wif n PHE 111 Ca 0.09 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.45 1wif n PHE 111 Cb 0.34 0.22 -0.15 0.00 0.35 0.00 0.00 39.48 40.24 1wif n PHE 111 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1wif s LEU 112 N -5.13 2.74 0.31 -2.13 2.96 -1.26 -5.10 118.68 111.08 1wif s LEU 112 Ca 0.00 -0.87 -0.29 0.00 -0.22 0.00 0.00 54.13 52.74 1wif s LEU 112 Cb 0.00 -1.55 -0.12 0.00 0.50 0.00 0.00 46.19 45.01 1wif s LEU 112 CO 0.00 -0.08 1.38 -0.62 -1.32 0.00 0.00 176.35 175.71 1wif n GLU 113 N 4.59 2.23 -3.13 1.98 1.02 -1.26 -4.96 120.64 121.12 1wif n GLU 113 Ca -0.18 0.79 -0.39 0.00 -0.02 0.00 0.00 57.16 57.36 1wif n GLU 113 Cb 0.47 -2.43 -0.05 0.00 -0.02 0.00 0.00 31.44 29.41 1wif n GLU 113 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wif s ILE 114 N -0.69 4.92 -0.24 -3.67 1.01 -1.26 -5.02 121.20 116.26 1wif s ILE 114 Ca 0.60 1.35 -0.29 0.00 0.00 0.00 0.00 60.65 62.30 1wif s ILE 114 Cb -0.57 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 37.89 1wif s ILE 114 CO 0.57 0.36 1.62 -2.16 0.00 0.00 0.00 174.94 175.34 1wif s PRO 115 N 0.12 3.74 0.16 2.79 0.04 -1.26 -4.91 135.00 135.68 1wif s PRO 115 Ca 0.34 1.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 1wif s PRO 115 Cb -0.18 -4.05 0.05 0.00 0.04 0.00 0.00 34.50 30.36 1wif s PRO 115 CO 0.18 -1.36 1.78 1.96 0.04 0.00 0.00 177.00 179.60 1wif h GLN 116 N 10.92 0.37 -0.98 4.56 1.08 -1.95 -2.32 115.11 126.79 1wif h GLN 116 Ca -0.33 -0.02 0.37 0.00 -1.45 0.00 0.00 58.65 57.21 1wif h GLN 116 Cb 1.15 -0.08 -0.13 0.00 -0.05 0.00 0.00 27.48 28.37 1wif h GLN 116 CO 1.01 0.24 0.59 0.39 -0.95 0.00 0.00 178.83 180.11 1wif n GLU 117 N -4.93 -0.04 0.00 1.46 -0.58 -1.26 -0.80 120.64 114.49 1wif n GLU 117 Ca 0.01 1.07 0.00 0.00 -0.42 0.00 0.00 57.16 57.82 1wif n GLU 117 Cb 0.09 -2.01 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 1wif n GLU 117 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1wif n TRP 118 N -4.56 0.00 -1.58 -0.32 7.02 -0.87 -4.72 117.44 112.41 1wif n TRP 118 Ca 0.32 0.00 -0.60 0.00 -1.02 0.00 0.00 57.50 56.20 1wif n TRP 118 Cb 1.17 -0.50 -0.08 0.00 -2.42 0.00 0.00 31.31 29.48 1wif n TRP 118 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1wif n GLN 119 N -2.00 0.17 -0.17 -0.99 6.02 0.02 -4.82 117.38 115.62 1wif n GLN 119 Ca 0.00 0.06 -0.03 0.00 -0.01 0.00 0.00 57.00 57.03 1wif n GLN 119 Cb 0.00 -1.59 0.04 0.00 1.02 0.00 0.00 30.24 29.72 1wif n GLN 119 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1wif h ASP 120 N 3.81 -0.45 -1.00 1.08 5.19 -1.84 -1.72 116.42 121.49 1wif h ASP 120 Ca -0.49 0.15 0.17 0.00 -0.62 0.00 0.00 57.03 56.24 1wif h ASP 120 Cb 1.40 0.31 -0.17 0.00 0.18 0.00 0.00 39.33 41.05 1wif h ASP 120 CO 0.75 -0.16 -0.35 -0.24 -3.12 0.00 0.00 179.24 176.12 1wif n SER 121 N -5.35 -0.56 -0.87 6.45 2.88 -1.26 -4.87 113.62 110.03 1wif n SER 121 Ca 0.05 1.73 0.06 0.00 -1.33 0.00 0.00 58.87 59.38 1wif n SER 121 Cb 0.27 -0.43 -0.02 0.00 -0.75 0.00 0.00 64.21 63.29 1wif n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wif n GLY 122 N -1.51 -0.97 3.72 0.46 0.00 -0.65 -4.81 105.19 101.43 1wif n GLY 122 Ca 0.12 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1wif n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wif s PRO 123 N -0.79 1.25 -0.30 1.61 0.04 -1.26 -5.07 135.00 130.47 1wif s PRO 123 Ca 0.00 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 61.70 1wif s PRO 123 Cb 0.00 -1.81 0.18 0.00 0.04 0.00 0.00 34.50 32.91 1wif s PRO 123 CO 0.00 -2.25 1.09 0.45 0.04 0.00 0.00 177.00 176.34 1wif s SER 124 N -3.43 -0.39 -0.01 6.66 0.15 -1.26 -5.17 113.70 110.26 1wif s SER 124 Ca 0.63 0.36 0.07 0.00 0.70 0.00 0.00 55.95 57.71 1wif s SER 124 Cb -0.18 1.37 -0.02 0.00 -1.71 0.00 0.00 66.02 65.48 1wif s SER 124 CO 0.57 -0.07 -0.22 -0.55 1.20 0.00 0.00 173.24 174.16 1wif s SER 125 N 2.66 2.61 0.00 5.45 0.15 -1.26 -5.31 113.70 118.00 1wif s SER 125 Ca -0.02 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1wif s SER 125 Cb -0.07 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1wif s SER 125 CO -0.13 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.18