#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 -0.10 -0.05 1.61 1.04 -1.26 -5.19 113.70 109.75 1wif s SER 2 Ca 0.00 -0.43 -0.31 0.00 0.48 0.00 0.00 55.95 55.69 1wif s SER 2 Cb 0.00 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.67 1wif s SER 2 CO 0.00 -0.81 1.19 -0.44 0.98 0.00 0.00 173.24 174.16 1wif s SER 3 N -3.10 -0.12 0.40 7.02 0.01 -1.26 -5.19 113.70 111.46 1wif s SER 3 Ca 0.16 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.35 1wif s SER 3 Cb -0.01 0.21 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 1wif s SER 3 CO 0.02 -0.38 0.04 -0.83 0.41 0.00 0.00 173.24 172.50 1wif s GLY 4 N -2.66 2.49 0.26 3.44 0.00 -1.26 -5.16 107.32 104.43 1wif s GLY 4 Ca 0.12 -1.69 -0.21 0.00 0.00 0.00 0.00 44.72 42.93 1wif s GLY 4 CO -0.04 -1.99 0.78 -0.56 0.00 0.00 0.00 173.10 171.29 1wif s SER 5 N -3.66 -0.22 -0.00 1.64 0.01 -1.26 -5.18 113.70 105.04 1wif s SER 5 Ca 0.28 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.94 1wif s SER 5 Cb 0.07 0.69 -0.00 0.00 0.21 0.00 0.00 66.02 66.98 1wif s SER 5 CO 0.14 -1.28 -0.04 -0.55 0.41 0.00 0.00 173.24 171.92 1wif s SER 6 N -2.95 0.43 0.00 2.44 0.15 -1.26 -5.05 113.70 107.46 1wif s SER 6 Ca 0.12 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1wif s SER 6 Cb -0.05 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1wif s SER 6 CO 0.06 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1wif n GLY 7 N 3.02 -3.14 7.00 9.45 0.00 -1.26 -4.93 105.19 115.32 1wif n GLY 7 Ca -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.05 -0.00 -0.37 1.61 2.88 -1.26 -4.46 113.62 112.07 1wif n SER 8 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wif n SER 8 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.01 -0.49 -1.46 0.00 -1.26 -4.85 118.16 110.11 1wif n LYS 9 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 58.31 57.41 1wif n LYS 9 Cb 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 35.03 34.51 1wif n LYS 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1wif n ASN 10 N -0.01 -0.21 -1.53 3.14 5.15 -1.26 -5.16 115.26 115.38 1wif n ASN 10 Ca 0.00 -0.51 -0.01 0.00 -0.60 0.00 0.00 54.58 53.47 1wif n ASN 10 Cb 0.65 0.06 0.01 0.00 -0.53 0.00 0.00 39.78 39.96 1wif n ASN 10 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1wif n GLU 11 N 0.00 0.16 0.00 1.20 0.28 -1.26 -5.07 120.64 115.94 1wif n GLU 11 Ca -0.06 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.59 1wif n GLU 11 Cb 0.31 0.48 0.00 0.00 1.43 0.00 0.00 31.44 33.66 1wif n GLU 11 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1wif n LYS 12 N -0.17 1.44 -2.82 3.44 3.00 -1.26 -4.53 118.16 117.27 1wif n LYS 12 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 1wif n LYS 12 Cb 0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 35.03 34.28 1wif n LYS 12 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1wif n GLU 13 N -1.96 4.46 -0.13 1.64 0.28 -1.26 -4.41 120.64 119.26 1wif n GLU 13 Ca 0.00 -4.73 0.00 0.00 -0.16 0.00 0.00 57.16 52.27 1wif n GLU 13 Cb 0.38 -2.38 0.00 0.00 1.43 0.00 0.00 31.44 30.87 1wif n GLU 13 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1wif n GLN 14 N 0.04 0.00 -0.07 3.44 7.27 -1.26 -4.99 117.38 121.80 1wif n GLN 14 Ca 0.39 -0.16 -0.02 0.00 0.07 0.00 0.00 57.00 57.28 1wif n GLN 14 Cb 0.32 -0.13 -0.02 0.00 2.41 0.00 0.00 30.24 32.82 1wif n GLN 14 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1wif n LEU 15 N 0.00 -0.18 -0.50 1.69 7.99 -1.26 -4.53 117.00 120.21 1wif n LEU 15 Ca 0.00 0.91 -0.01 0.00 -0.01 0.00 0.00 56.01 56.89 1wif n LEU 15 Cb 0.51 -0.34 -0.01 0.00 -0.11 0.00 0.00 43.42 43.47 1wif n LEU 15 CO 0.00 -0.55 0.09 -0.24 -1.51 0.00 0.00 177.39 175.18 1wif n SER 16 N -3.25 -0.20 -4.71 -1.43 2.88 -1.26 -4.52 113.62 101.13 1wif n SER 16 Ca 0.00 -0.47 -0.29 0.00 -1.33 0.00 0.00 58.87 56.78 1wif n SER 16 Cb 0.04 0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 63.49 1wif n SER 16 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wif s LYS 17 N 0.00 2.61 -0.31 -1.46 2.47 -1.26 -5.08 119.74 116.70 1wif s LYS 17 Ca 0.00 -0.86 -0.11 0.00 -1.56 0.00 0.00 55.97 53.44 1wif s LYS 17 Cb 0.00 -2.55 0.19 0.00 -1.46 0.00 0.00 37.83 34.01 1wif s LYS 17 CO 0.00 0.53 1.09 0.00 0.16 0.00 0.00 175.35 177.12 1wif s ALA 18 N -1.43 -4.56 0.20 3.13 0.00 -1.26 -4.91 121.76 112.94 1wif s ALA 18 Ca 0.27 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1wif s ALA 18 Cb -0.11 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1wif s ALA 18 CO 0.19 -2.46 0.14 1.17 0.00 0.00 0.00 175.76 174.81 1wif n LYS 19 N 3.86 0.36 -1.40 0.00 3.00 -1.26 -5.18 118.16 117.55 1wif n LYS 19 Ca 0.06 -1.93 0.00 0.00 -0.00 0.00 0.00 58.31 56.44 1wif n LYS 19 Cb 0.63 1.44 0.00 0.00 0.00 0.00 0.00 35.03 37.10 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 -1.74 0.00 -1.46 3.14 0.00 -1.26 -5.04 120.51 114.16 1wif n ALA 20 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 1wif n ALA 20 Cb 0.35 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.94 1wif n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wif n SER 21 N -1.89 4.27 -4.61 0.00 2.88 -1.26 -4.99 113.62 108.04 1wif n SER 21 Ca 0.00 -3.74 -0.26 0.00 -1.33 0.00 0.00 58.87 53.53 1wif n SER 21 Cb 0.00 -0.72 -0.09 0.00 -0.75 0.00 0.00 64.21 62.65 1wif n SER 21 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1wif s VAL 22 N -3.80 3.36 0.00 2.46 1.01 -1.26 -5.00 120.40 117.17 1wif s VAL 22 Ca 0.53 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1wif s VAL 22 Cb 0.45 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1wif s VAL 22 CO 0.03 -0.15 0.00 -1.54 0.00 0.00 0.00 175.10 173.43 1wif n SER 23 N -0.15 0.00 -0.33 3.32 3.41 -1.26 -4.98 113.62 113.62 1wif n SER 23 Ca -0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1wif n SER 23 Cb 0.56 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1wif n SER 23 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wif n SER 24 N 0.00 -0.06 -0.19 4.04 7.64 -1.26 -5.16 113.62 118.63 1wif n SER 24 Ca 0.00 -0.62 0.01 0.00 1.01 0.00 0.00 58.87 59.27 1wif n SER 24 Cb 0.00 0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1wif n SER 24 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1wif n LEU 25 N 0.00 0.00 -4.12 -3.43 4.77 -1.26 -4.56 117.00 108.40 1wif n LEU 25 Ca -0.02 0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.68 1wif n LEU 25 Cb 0.30 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 1wif n LEU 25 CO -0.01 -0.31 -0.33 0.21 -1.33 0.00 0.00 177.39 175.62 1wif s ASN 26 N -3.59 4.88 0.03 -1.43 2.47 -1.26 -5.10 114.94 110.94 1wif s ASN 26 Ca 0.00 -1.58 -0.07 0.00 0.42 0.00 0.00 52.86 51.63 1wif s ASN 26 Cb 0.00 -1.70 -0.05 0.00 -1.45 0.00 0.00 41.25 38.05 1wif s ASN 26 CO 0.00 -0.33 0.29 -0.75 -3.72 0.00 0.00 177.10 172.60 1wif s LYS 27 N 1.15 3.61 -0.06 0.43 2.20 -1.26 -5.09 119.74 120.72 1wif s LYS 27 Ca -0.01 -0.04 -0.12 0.00 -0.36 0.00 0.00 55.97 55.45 1wif s LYS 27 Cb -0.20 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 1wif s LYS 27 CO -0.03 0.63 0.30 0.08 -0.36 0.00 0.00 175.35 175.96 1wif s VAL 28 N -1.33 5.24 -0.11 4.02 1.01 -1.26 -4.36 120.40 123.60 1wif s VAL 28 Ca 0.29 0.58 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 1wif s VAL 28 Cb -0.13 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1wif s VAL 28 CO 0.17 0.57 0.45 -0.63 0.00 0.00 0.00 175.10 175.66 1wif s ILE 29 N -0.89 5.18 -0.13 2.22 -1.09 -0.56 -4.98 121.20 120.94 1wif s ILE 29 Ca 0.20 0.89 -0.05 0.00 -2.23 0.00 0.00 60.65 59.46 1wif s ILE 29 Cb -0.15 -3.78 0.07 0.00 -1.58 0.00 0.00 42.46 37.02 1wif s ILE 29 CO 0.09 0.37 0.27 0.00 -1.23 0.00 0.00 174.94 174.44 1wif s GLN 30 N 0.39 0.16 0.04 2.79 -2.07 -1.26 -0.70 119.66 119.02 1wif s GLN 30 Ca 0.25 0.77 -0.06 0.00 -1.82 0.00 0.00 55.36 54.49 1wif s GLN 30 Cb -0.15 -0.01 -0.01 0.00 -1.09 0.00 0.00 33.01 31.75 1wif s GLN 30 CO 0.10 -0.29 0.12 -0.08 -1.32 0.00 0.00 175.29 173.82 1wif s THR 31 N 2.43 0.13 -0.34 3.63 -1.32 -1.09 -4.97 115.64 114.11 1wif s THR 31 Ca 0.01 -1.10 -0.12 0.00 -1.21 0.00 0.00 61.69 59.26 1wif s THR 31 Cb -0.12 -0.98 -0.01 0.00 -1.51 0.00 0.00 72.50 69.88 1wif s THR 31 CO -0.09 -0.61 0.23 -0.54 -2.21 0.00 0.00 174.62 171.40 1wif s LYS 32 N -2.82 3.37 0.17 7.08 3.01 -1.26 -2.00 119.74 127.30 1wif s LYS 32 Ca -0.03 -0.72 -0.07 0.00 -1.01 0.00 0.00 55.97 54.13 1wif s LYS 32 Cb 0.00 -3.78 -0.06 0.00 -1.01 0.00 0.00 37.83 32.98 1wif s LYS 32 CO -0.05 -0.49 0.44 -0.51 0.51 0.00 0.00 175.35 175.25 1wif s LEU 33 N 1.69 4.24 -0.65 3.17 1.43 -1.24 -4.94 118.68 122.38 1wif s LEU 33 Ca 0.05 0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 53.75 1wif s LEU 33 Cb -0.18 -3.41 0.16 0.00 0.03 0.00 0.00 46.19 42.80 1wif s LEU 33 CO 0.09 0.02 0.59 -0.89 0.23 0.00 0.00 176.35 176.40 1wif s THR 34 N -1.68 5.28 0.16 5.49 2.01 -1.26 -4.05 115.64 121.58 1wif s THR 34 Ca 0.42 -1.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.19 1wif s THR 34 Cb -0.12 -4.34 -0.18 0.00 0.01 0.00 0.00 72.50 67.88 1wif s THR 34 CO 0.23 -0.93 0.65 0.52 -0.69 0.00 0.00 174.62 174.40 1wif n VAL 35 N 4.70 1.59 -3.87 3.82 0.31 -1.21 -4.50 118.33 119.16 1wif n VAL 35 Ca -0.02 -0.40 -0.24 0.00 -0.01 0.00 0.00 64.34 63.67 1wif n VAL 35 Cb 0.43 -0.04 -0.04 0.00 -0.91 0.00 0.00 33.84 33.28 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 -0.78 2.29 0.34 2.92 0.00 -1.26 -2.41 107.32 108.43 1wif s GLY 36 Ca 0.69 -1.75 0.15 0.00 0.00 0.00 0.00 44.72 43.81 1wif s GLY 36 CO 0.56 -1.85 1.67 3.43 0.00 0.00 0.00 173.10 176.91 1wif h ASN 37 N 1.08 0.52 0.17 1.64 2.35 -1.96 0.91 115.58 120.29 1wif h ASN 37 Ca -0.40 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1wif h ASN 37 Cb 1.27 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1wif h ASN 37 CO 0.62 -0.12 -0.84 0.18 -1.65 0.00 0.00 177.43 175.61 1wif n LEU 38 N -5.03 0.83 -1.04 1.61 4.32 -1.26 -4.96 117.00 111.46 1wif n LEU 38 Ca 0.32 -0.33 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1wif n LEU 38 Cb 0.98 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.70 1wif n LEU 38 CO 0.10 0.21 -0.31 0.61 -1.22 0.00 0.00 177.39 176.78 1wif n GLY 39 N 1.50 -3.80 3.48 -0.72 0.00 0.31 -4.61 105.19 101.36 1wif n GLY 39 Ca 0.04 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.78 1.05 -0.81 0.99 -0.00 -1.26 -4.75 117.00 110.44 1wif n LEU 40 Ca 0.00 0.08 0.06 0.00 -0.00 0.00 0.00 56.01 56.15 1wif n LEU 40 Cb 0.21 -1.12 0.18 0.00 -0.00 0.00 0.00 43.42 42.69 1wif n LEU 40 CO 0.00 -0.94 0.64 0.61 -0.00 0.00 0.00 177.39 177.70 1wif n GLY 41 N 6.48 1.08 0.48 1.47 0.00 -1.26 -4.95 105.19 108.49 1wif n GLY 41 Ca 0.55 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 0.64 0.02 -4.51 0.99 -0.00 -1.26 -4.60 117.00 108.28 1wif n LEU 42 Ca 0.14 0.16 -0.42 0.00 -0.00 0.00 0.00 56.01 55.88 1wif n LEU 42 Cb 0.40 -0.13 -0.03 0.00 -0.00 0.00 0.00 43.42 43.66 1wif n LEU 42 CO 0.10 -0.24 1.25 -0.69 -0.00 0.00 0.00 177.39 177.81 1wif s VAL 43 N 0.05 4.33 0.75 1.47 1.01 0.60 -4.86 120.40 123.74 1wif s VAL 43 Ca 0.13 -1.20 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1wif s VAL 43 Cb -0.18 -4.93 0.07 0.00 0.00 0.00 0.00 36.38 31.35 1wif s VAL 43 CO 0.08 -1.73 1.08 -0.69 0.00 0.00 0.00 175.10 173.84 1wif s VAL 44 N 3.82 2.17 0.02 2.92 1.01 -1.26 -0.15 120.40 128.93 1wif s VAL 44 Ca 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1wif s VAL 44 Cb -0.02 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1wif s VAL 44 CO -0.09 0.00 -0.03 0.27 0.00 0.00 0.00 175.10 175.25 1wif s ILE 45 N -3.37 0.13 -1.04 2.22 -4.36 -1.03 -4.72 121.20 109.03 1wif s ILE 45 Ca 0.61 -0.78 -0.23 0.00 -0.26 0.00 0.00 60.65 59.99 1wif s ILE 45 Cb -0.10 -0.25 0.03 0.00 1.25 0.00 0.00 42.46 43.39 1wif s ILE 45 CO 0.46 -0.41 1.56 -1.58 0.24 0.00 0.00 174.94 175.21 1wif s GLN 46 N -1.24 3.45 -0.57 0.37 -0.44 -1.26 -3.36 119.66 116.61 1wif s GLN 46 Ca -0.13 -1.09 0.03 0.00 -2.50 0.00 0.00 55.36 51.67 1wif s GLN 46 Cb -0.08 -5.33 0.14 0.00 -1.64 0.00 0.00 33.01 26.10 1wif s GLN 46 CO -0.01 -2.43 0.33 1.21 0.50 0.00 0.00 175.29 174.90 1wif s ASN 47 N 5.39 4.53 0.00 6.67 2.47 -1.25 -5.06 114.94 127.69 1wif s ASN 47 Ca 0.51 -3.17 0.00 0.00 0.42 0.00 0.00 52.86 50.62 1wif s ASN 47 Cb -0.01 -1.67 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 1wif s ASN 47 CO -0.06 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.71 1wif n GLY 48 N 2.92 -2.05 0.00 1.21 0.00 -1.26 -4.02 105.19 101.99 1wif n GLY 48 Ca 0.08 -1.53 0.07 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.01 0.49 -4.24 1.61 -0.04 -1.26 -4.69 135.00 126.85 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 -1.44 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 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 1.54 -0.05 0.54 2.02 -1.25 -3.78 117.35 114.38 1wif s TYR 50 Ca 0.21 -0.45 -0.24 0.00 -0.37 0.00 0.00 57.07 56.22 1wif s TYR 50 Cb 0.10 -0.85 -0.04 0.00 -0.40 0.00 0.00 41.96 40.77 1wif s TYR 50 CO 0.16 0.15 0.72 -0.51 -1.57 0.00 0.00 175.55 174.50 1wif s LEU 51 N -1.93 4.34 -0.24 -1.29 2.01 -1.26 -3.93 118.68 116.38 1wif s LEU 51 Ca 0.04 1.24 -0.00 0.00 0.01 0.00 0.00 54.13 55.42 1wif s LEU 51 Cb -0.09 -3.12 0.03 0.00 0.01 0.00 0.00 46.19 43.02 1wif s LEU 51 CO 0.04 -0.09 -0.10 -1.10 1.01 0.00 0.00 176.35 176.10 1wif s GLN 52 N 0.65 2.71 -0.69 1.70 -0.21 -1.21 -3.65 119.66 118.96 1wif s GLN 52 Ca 0.38 -1.05 -0.26 0.00 0.02 0.00 0.00 55.36 54.46 1wif s GLN 52 Cb -0.18 -2.89 -0.12 0.00 1.00 0.00 0.00 33.01 30.82 1wif s GLN 52 CO 0.19 -0.41 2.42 -0.89 -2.12 0.00 0.00 175.29 174.48 1wif n ILE 53 N 4.60 -0.03 0.01 1.08 5.41 -1.09 -2.47 119.36 126.86 1wif n ILE 53 Ca -0.17 -0.61 -0.13 0.00 1.00 0.00 0.00 62.75 62.85 1wif n ILE 53 Cb 0.46 -2.22 -0.09 0.00 -0.71 0.00 0.00 39.64 37.09 1wif n ILE 53 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1wif h SER 54 N 15.30 -0.01 -5.05 4.38 0.87 -1.75 0.44 113.55 127.74 1wif h SER 54 Ca -0.09 -0.30 -0.13 0.00 -1.23 0.00 0.00 61.79 60.04 1wif h SER 54 Cb 1.11 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.89 1wif h SER 54 CO 1.09 0.30 -0.47 -2.28 -0.53 0.00 0.00 176.83 174.94 1wif s HIS 55 N -4.97 0.10 -0.07 2.24 5.65 0.78 -4.69 115.29 114.33 1wif s HIS 55 Ca -0.15 -0.30 -0.01 0.00 0.25 0.00 0.00 55.06 54.86 1wif s HIS 55 Cb 0.03 -0.07 -0.03 0.00 -1.18 0.00 0.00 32.58 31.33 1wif s HIS 55 CO 0.67 -0.36 -0.02 -0.51 -0.65 0.00 0.00 174.74 173.86 1wif s LEU 56 N -1.86 3.44 -0.38 8.88 1.43 -1.26 0.22 118.68 129.14 1wif s LEU 56 Ca -0.08 0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 1wif s LEU 56 Cb -0.03 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1wif s LEU 56 CO -0.02 0.36 1.42 -0.63 0.23 0.00 0.00 176.35 177.71 1wif s ILE 57 N -0.89 3.91 0.32 -0.59 1.09 -1.26 -4.79 121.20 119.00 1wif s ILE 57 Ca 0.14 0.95 0.08 0.00 -1.10 0.00 0.00 60.65 60.72 1wif s ILE 57 Cb -0.11 -4.16 0.37 0.00 -1.06 0.00 0.00 42.46 37.50 1wif s ILE 57 CO 0.03 -0.68 1.59 -1.13 -0.10 0.00 0.00 174.94 174.65 1wif h ASN 58 N 10.57 -0.10 -2.24 3.58 -1.24 -1.97 -1.31 115.58 122.86 1wif h ASN 58 Ca -0.28 0.25 -0.79 0.00 0.71 0.00 0.00 56.30 56.20 1wif h ASN 58 Cb 1.11 0.36 -0.23 0.00 0.73 0.00 0.00 38.32 40.29 1wif h ASN 58 CO 1.07 -0.33 1.30 2.29 -1.29 0.00 0.00 177.43 180.47 1wif n LYS 59 N -5.35 4.49 -0.57 6.67 2.85 -1.26 -4.54 118.16 120.45 1wif n LYS 59 Ca 0.28 -4.22 0.00 0.00 -1.05 0.00 0.00 58.31 53.31 1wif n LYS 59 Cb 0.91 -2.61 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 1wif n LYS 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wif n GLY 60 N 1.43 3.99 0.09 2.58 0.00 -0.50 -4.79 105.19 108.00 1wif n GLY 60 Ca 0.37 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 1.52 -0.05 4.61 0.00 -1.26 -3.87 120.51 118.46 1wif n ALA 61 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 53.44 52.29 1wif n ALA 61 Cb 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 19.45 18.75 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 1.02 -0.01 -0.09 0.00 0.00 -1.91 -3.18 119.26 115.07 1wif h ALA 62 Ca -0.39 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.02 1wif h ALA 62 Cb 2.10 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 1wif h ALA 62 CO 0.06 0.05 0.09 0.00 0.00 0.00 0.00 179.25 179.45 1wif h ALA 63 N 0.04 1.77 -0.12 0.00 0.00 -1.78 0.26 119.26 119.42 1wif h ALA 63 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wif h ALA 63 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wif h ALA 63 CO 0.03 -0.14 0.00 0.43 0.00 0.00 0.00 179.25 179.57 1wif n SER 64 N -3.99 1.61 -4.34 0.00 7.64 -1.24 -4.77 113.62 108.53 1wif n SER 64 Ca -0.01 -1.65 -0.37 0.00 1.01 0.00 0.00 58.87 57.86 1wif n SER 64 Cb 0.20 -0.08 -0.13 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.69 4.98 0.00 6.43 2.15 0.90 -4.98 116.67 124.46 1wif s ASP 65 Ca 0.34 -0.65 -0.02 0.00 0.43 0.00 0.00 52.55 52.64 1wif s ASP 65 Cb 0.18 -1.85 -0.10 0.00 -0.30 0.00 0.00 42.92 40.85 1wif s ASP 65 CO 0.28 -0.16 2.46 0.61 -0.17 0.00 0.00 175.17 178.19 1wif n GLY 66 N 4.85 2.53 1.56 2.66 0.00 -1.26 -3.64 105.19 111.89 1wif n GLY 66 Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1wif n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wif n ILE 67 N 1.96 0.21 -2.77 -0.61 2.08 -1.26 -5.07 119.36 113.90 1wif n ILE 67 Ca 0.16 0.07 -0.40 0.00 0.56 0.00 0.00 62.75 63.14 1wif n ILE 67 Cb 0.61 -0.96 -0.05 0.00 -0.75 0.00 0.00 39.64 38.49 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 -6.03 4.56 0.18 1.39 1.43 -1.24 -5.03 118.68 113.94 1wif s LEU 68 Ca 0.00 1.83 0.09 0.00 -1.03 0.00 0.00 54.13 55.02 1wif s LEU 68 Cb 0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1wif s LEU 68 CO 0.00 0.04 -0.20 0.00 0.23 0.00 0.00 176.35 176.43 1wif s GLN 69 N -0.54 1.35 -1.19 1.70 -2.07 -1.26 -4.91 119.66 112.74 1wif s GLN 69 Ca 0.43 -1.45 -0.23 0.00 -1.82 0.00 0.00 55.36 52.30 1wif s GLN 69 Cb -0.24 -1.47 -0.09 0.00 -1.09 0.00 0.00 33.01 30.12 1wif s GLN 69 CO 0.30 0.30 1.93 -1.25 -1.32 0.00 0.00 175.29 175.26 1wif s PRO 70 N -2.80 2.49 0.00 9.60 0.04 -1.26 -3.44 135.00 139.63 1wif s PRO 70 Ca 0.18 -1.19 0.00 0.00 0.04 0.00 0.00 61.00 60.02 1wif s PRO 70 Cb -0.06 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1wif s PRO 70 CO 0.08 -4.00 0.00 0.41 0.04 0.00 0.00 177.00 173.52 1wif n GLY 71 N 5.78 0.00 3.66 0.56 0.00 0.16 -4.66 105.19 110.69 1wif n GLY 71 Ca 0.45 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.21 1wif n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wif s ASP 72 N 0.00 4.17 -0.35 1.61 1.01 -1.22 -4.76 116.67 117.13 1wif s ASP 72 Ca 0.00 -1.13 0.03 0.00 0.71 0.00 0.00 52.55 52.16 1wif s ASP 72 Cb 0.00 -0.47 0.10 0.00 1.01 0.00 0.00 42.92 43.56 1wif s ASP 72 CO 0.00 -0.40 0.07 -0.69 0.21 0.00 0.00 175.17 174.36 1wif s VAL 73 N -2.60 2.47 0.85 -1.27 1.01 -0.63 -2.69 120.40 117.55 1wif s VAL 73 Ca 0.37 -2.26 -0.15 0.00 0.00 0.00 0.00 61.98 59.94 1wif s VAL 73 Cb 0.04 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1wif s VAL 73 CO 0.20 -0.59 0.18 0.18 0.00 0.00 0.00 175.10 175.07 1wif n LEU 74 N 4.32 -1.19 0.00 3.92 7.99 -1.24 -0.87 117.00 129.94 1wif n LEU 74 Ca 0.02 0.41 0.00 0.00 -0.01 0.00 0.00 56.01 56.43 1wif n LEU 74 Cb 0.42 -1.10 0.00 0.00 -0.11 0.00 0.00 43.42 42.63 1wif n LEU 74 CO 0.24 -3.99 0.01 -0.38 -1.51 0.00 0.00 177.39 171.76 1wif n ILE 75 N -2.83 0.00 0.00 -0.08 5.41 0.60 -4.31 119.36 118.15 1wif n ILE 75 Ca 0.06 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1wif n ILE 75 Cb 0.52 1.03 0.00 0.00 -0.71 0.00 0.00 39.64 40.49 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 -0.55 0.00 -4.66 4.38 3.41 -1.25 -4.31 113.62 110.63 1wif n SER 76 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1wif n SER 76 Cb 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 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 4.34 -0.86 -3.33 1.01 -0.96 -3.55 120.40 117.05 1wif s VAL 77 Ca 0.00 1.62 -0.01 0.00 0.00 0.00 0.00 61.98 63.58 1wif s VAL 77 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1wif s VAL 77 CO 0.00 -0.14 0.73 0.61 0.00 0.00 0.00 175.10 176.30 1wif n GLY 78 N 3.56 -0.12 2.44 4.51 0.00 -1.26 -2.35 105.19 111.98 1wif n GLY 78 Ca 0.13 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.41 -0.11 -3.92 1.61 -0.00 -1.23 -4.92 115.22 103.23 1wif n HIS 79 Ca -0.16 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.69 1wif n HIS 79 Cb 0.60 -3.24 -0.14 0.00 -0.12 0.00 0.00 29.99 27.10 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 -2.59 3.00 -0.84 1.57 0.00 -0.99 -5.03 121.76 116.87 1wif s ALA 80 Ca 0.00 -2.53 -0.22 0.00 0.00 0.00 0.00 51.96 49.21 1wif s ALA 80 Cb 0.00 -2.14 -0.19 0.00 0.00 0.00 0.00 23.12 20.79 1wif s ALA 80 CO 0.00 -1.73 2.30 -1.71 0.00 0.00 0.00 175.76 174.62 1wif n ASN 81 N 4.39 0.99 -0.49 0.00 2.85 -1.26 -2.26 115.26 119.48 1wif n ASN 81 Ca 0.01 -1.40 0.08 0.00 -0.11 0.00 0.00 54.58 53.16 1wif n ASN 81 Cb 0.42 -1.41 0.28 0.00 1.24 0.00 0.00 39.78 40.30 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 8.05 0.27 -0.14 3.44 0.24 -1.26 -4.34 118.33 124.59 1wif n VAL 82 Ca 0.49 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.34 62.38 1wif n VAL 82 Cb 0.38 0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 32.95 1wif n VAL 82 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1wif h LEU 83 N 1.74 -1.21 -3.89 1.34 3.38 -1.77 -0.58 115.31 114.32 1wif h LEU 83 Ca 0.00 0.21 -0.41 0.00 0.09 0.00 0.00 57.88 57.76 1wif h LEU 83 Cb 0.39 0.56 -0.25 0.00 0.09 0.00 0.00 40.66 41.45 1wif h LEU 83 CO 0.00 -0.33 0.51 0.61 0.09 0.00 0.00 178.44 179.32 1wif n GLY 84 N -1.42 4.28 3.89 0.83 0.00 -1.25 -3.77 105.19 107.75 1wif n GLY 84 Ca 0.01 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.21 3.49 0.57 1.61 1.51 -0.23 -4.97 117.35 116.12 1wif s TYR 85 Ca 0.56 0.88 0.05 0.00 -1.01 0.00 0.00 57.07 57.55 1wif s TYR 85 Cb 0.47 -2.31 0.07 0.00 -0.11 0.00 0.00 41.96 40.07 1wif s TYR 85 CO 0.11 -0.05 0.79 0.95 -1.11 0.00 0.00 175.55 176.25 1wif s THR 86 N -2.34 2.45 0.19 -0.71 -4.23 -1.26 -4.36 115.64 105.37 1wif s THR 86 Ca 0.48 -0.82 -0.03 0.00 -1.18 0.00 0.00 61.69 60.14 1wif s THR 86 Cb -0.10 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.05 1wif s THR 86 CO 0.33 0.00 1.51 0.25 -0.54 0.00 0.00 174.62 176.17 1wif h LEU 87 N 0.07 0.62 -0.91 4.79 5.85 -1.97 0.27 115.31 124.04 1wif h LEU 87 Ca -0.36 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 57.95 1wif h LEU 87 Cb 1.28 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1wif h LEU 87 CO 0.44 1.04 -0.33 0.08 -0.34 0.00 0.00 178.44 179.33 1wif h ARG 88 N 0.43 0.00 0.00 1.25 0.11 -2.00 -3.06 114.38 111.11 1wif h ARG 88 Ca 0.01 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.88 1wif h ARG 88 Cb 1.08 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.13 1wif h ARG 88 CO 0.10 0.33 -1.18 0.93 0.10 0.00 0.00 179.97 180.25 1wif h GLU 89 N 0.00 0.00 -0.45 0.08 4.39 -1.91 -3.24 114.58 113.44 1wif h GLU 89 Ca -0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1wif h GLU 89 Cb 0.89 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1wif h GLU 89 CO 0.04 0.89 0.59 0.35 -1.16 0.00 0.00 179.01 179.72 1wif h PHE 90 N -1.00 0.00 0.20 4.33 3.57 -0.55 0.46 116.94 123.95 1wif h PHE 90 Ca -0.31 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 60.86 1wif h PHE 90 Cb 1.22 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.97 1wif h PHE 90 CO 0.06 0.00 -1.58 -0.07 -2.23 0.00 0.00 178.31 174.49 1wif h LEU 91 N 0.00 0.65 -0.67 0.59 -0.00 -1.68 -3.20 115.31 111.01 1wif h LEU 91 Ca 0.21 -0.93 -0.07 0.00 -0.00 0.00 0.00 57.88 57.10 1wif h LEU 91 Cb 1.38 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 1wif h LEU 91 CO -0.00 1.73 -0.32 0.07 -0.00 0.00 0.00 178.44 179.91 1wif h LYS 92 N 0.04 0.00 0.11 1.13 5.09 -0.58 -2.97 116.57 119.40 1wif h LYS 92 Ca -0.30 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.43 1wif h LYS 92 Cb 2.05 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.39 1wif h LYS 92 CO 0.19 0.32 -0.05 1.25 -2.09 0.00 0.00 179.45 179.07 1wif h LEU 93 N 0.00 -0.13 -1.87 7.07 5.85 -0.38 -3.19 115.31 122.67 1wif h LEU 93 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wif h LEU 93 Cb 0.99 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1wif h LEU 93 CO 0.04 -0.03 0.25 -0.07 -0.34 0.00 0.00 178.44 178.29 1wif h LEU 94 N -0.27 0.00 0.00 2.25 3.38 -1.68 0.36 115.31 119.35 1wif h LEU 94 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wif h LEU 94 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wif h LEU 94 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1wif n GLN 95 N -2.69 0.44 0.00 1.13 1.13 -1.12 -2.03 117.38 114.24 1wif n GLN 95 Ca -0.02 0.06 0.11 0.00 -1.94 0.00 0.00 57.00 55.21 1wif n GLN 95 Cb 0.29 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.20 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 -1.16 2.55 -4.84 1.08 3.02 0.12 -4.97 115.26 111.06 1wif n ASN 96 Ca 0.12 -1.78 -0.32 0.00 -0.03 0.00 0.00 54.58 52.58 1wif n ASN 96 Cb 0.12 0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 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 -2.09 4.46 0.24 2.41 -1.09 -0.86 -5.08 121.20 119.19 1wif s ILE 97 Ca 0.23 1.04 0.07 0.00 -2.23 0.00 0.00 60.65 59.76 1wif s ILE 97 Cb 0.18 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 1wif s ILE 97 CO 0.39 -0.81 0.21 -0.89 -1.23 0.00 0.00 174.94 172.61 1wif s THR 98 N -2.79 4.57 0.30 2.92 2.01 -1.26 -5.07 115.64 116.32 1wif s THR 98 Ca 0.58 -1.31 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 1wif s THR 98 Cb -0.11 -3.45 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 1wif s THR 98 CO 0.40 -0.32 1.39 -0.63 -0.69 0.00 0.00 174.62 174.77 1wif s ILE 99 N -2.07 2.60 -0.46 1.82 1.01 -1.26 -3.55 121.20 119.29 1wif s ILE 99 Ca 0.33 0.56 -0.00 0.00 0.00 0.00 0.00 60.65 61.53 1wif s ILE 99 Cb -0.08 -3.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 1wif s ILE 99 CO 0.25 0.11 0.39 0.61 0.00 0.00 0.00 174.94 176.30 1wif n GLY 100 N 1.37 0.12 3.20 6.18 0.00 -1.01 -5.01 105.19 110.05 1wif n GLY 100 Ca 0.03 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.14 1.84 -0.29 2.61 2.01 -1.23 -4.93 115.64 112.51 1wif s THR 101 Ca 0.03 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.96 1wif s THR 101 Cb -0.00 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 1wif s THR 101 CO 0.29 0.51 0.37 0.54 -0.69 0.00 0.00 174.62 175.64 1wif s VAL 102 N 0.11 5.17 0.15 3.82 0.11 -1.26 -3.33 120.40 125.16 1wif s VAL 102 Ca -0.09 0.44 0.06 0.00 -2.93 0.00 0.00 61.98 59.46 1wif s VAL 102 Cb -0.15 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 1wif s VAL 102 CO 0.05 0.09 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.01 1wif s LEU 103 N 2.07 2.46 -0.55 2.54 2.01 -1.26 -5.04 118.68 120.91 1wif s LEU 103 Ca 0.14 -0.89 -0.17 0.00 0.01 0.00 0.00 54.13 53.22 1wif s LEU 103 Cb -0.16 -0.59 0.12 0.00 0.01 0.00 0.00 46.19 45.57 1wif s LEU 103 CO 0.11 -0.16 0.56 -1.58 1.01 0.00 0.00 176.35 176.29 1wif s GLN 104 N -3.04 3.01 -0.74 1.70 0.74 -1.26 -3.71 119.66 116.36 1wif s GLN 104 Ca 0.14 -1.53 -0.21 0.00 0.05 0.00 0.00 55.36 53.80 1wif s GLN 104 Cb -0.03 -4.27 0.09 0.00 1.10 0.00 0.00 33.01 29.90 1wif s GLN 104 CO 0.04 -1.37 0.99 0.42 -0.55 0.00 0.00 175.29 174.82 1wif s ILE 105 N 1.98 4.48 -0.37 -2.34 -1.09 -0.85 -4.06 121.20 118.96 1wif s ILE 105 Ca 0.06 -0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 57.58 1wif s ILE 105 Cb -0.27 -4.70 0.01 0.00 -1.58 0.00 0.00 42.46 35.91 1wif s ILE 105 CO 0.05 -1.45 0.23 -0.75 -1.23 0.00 0.00 174.94 171.79 1wif s LYS 106 N 3.56 3.12 0.31 2.79 2.20 -1.26 -2.69 119.74 127.77 1wif s LYS 106 Ca 0.24 -0.89 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1wif s LYS 106 Cb -0.14 -3.80 -0.06 0.00 -1.51 0.00 0.00 37.83 32.32 1wif s LYS 106 CO 0.04 -0.60 0.06 0.00 -0.36 0.00 0.00 175.35 174.49 1wif s ALA 107 N 1.64 2.23 -0.19 3.13 0.00 0.13 0.22 121.76 128.92 1wif s ALA 107 Ca 0.04 -2.02 -0.07 0.00 0.00 0.00 0.00 51.96 49.92 1wif s ALA 107 Cb -0.18 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1wif s ALA 107 CO 0.09 -0.34 0.05 0.71 0.00 0.00 0.00 175.76 176.27 1wif s TYR 108 N -3.39 3.19 -0.64 0.00 2.02 -0.05 -1.50 117.35 116.99 1wif s TYR 108 Ca 0.37 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 57.00 1wif s TYR 108 Cb 0.09 -2.09 0.45 0.00 -0.40 0.00 0.00 41.96 40.01 1wif s TYR 108 CO 0.15 0.05 1.95 2.89 -1.57 0.00 0.00 175.55 179.02 1wif n ARG 109 N 3.75 2.79 0.00 -0.62 1.85 -1.26 -1.61 116.66 121.56 1wif n ARG 109 Ca -0.17 -3.39 0.00 0.00 -1.00 0.00 0.00 57.85 53.30 1wif n ARG 109 Cb 0.52 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.64 1wif n ARG 109 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wif n GLY 110 N -0.89 0.00 0.04 2.89 0.00 -1.26 -5.02 105.19 100.95 1wif n GLY 110 Ca 0.61 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.62 1wif n GLY 110 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wif h PHE 111 N 0.00 -0.14 -3.21 1.61 3.57 -1.96 -3.34 116.94 113.47 1wif h PHE 111 Ca 0.00 0.01 -0.73 0.00 3.53 0.00 0.00 57.97 60.78 1wif h PHE 111 Cb 0.00 0.06 -0.22 0.00 2.79 0.00 0.00 35.95 38.59 1wif h PHE 111 CO 0.00 -0.04 -0.20 -1.17 -2.23 0.00 0.00 178.31 174.67 1wif s LEU 112 N -5.76 5.61 0.64 0.59 2.96 -1.26 -5.05 118.68 116.40 1wif s LEU 112 Ca -0.01 -1.36 -0.18 0.00 -0.22 0.00 0.00 54.13 52.36 1wif s LEU 112 Cb 0.01 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1wif s LEU 112 CO 0.05 -0.78 0.93 -0.62 -1.32 0.00 0.00 176.35 174.61 1wif n GLU 113 N 5.50 0.76 -2.58 1.98 1.02 -1.26 -4.88 120.64 121.19 1wif n GLU 113 Ca -0.11 0.31 -0.40 0.00 -0.02 0.00 0.00 57.16 56.93 1wif n GLU 113 Cb 0.43 -2.15 -0.05 0.00 -0.02 0.00 0.00 31.44 29.65 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 -1.60 3.83 -0.08 -3.67 1.01 -1.26 -4.99 121.20 114.45 1wif s ILE 114 Ca 0.75 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.84 1wif s ILE 114 Cb -0.40 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1wif s ILE 114 CO 0.48 0.37 1.51 -2.16 0.00 0.00 0.00 174.94 175.14 1wif s PRO 115 N -0.94 4.21 0.16 2.79 0.04 -1.26 -4.92 135.00 135.08 1wif s PRO 115 Ca 0.45 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 63.28 1wif s PRO 115 Cb -0.29 -3.86 0.06 0.00 0.04 0.00 0.00 34.50 30.45 1wif s PRO 115 CO 0.36 -0.77 1.60 1.96 0.04 0.00 0.00 177.00 180.19 1wif h GLN 116 N 8.92 -0.23 -1.29 4.56 1.08 -2.00 0.77 115.11 126.92 1wif h GLN 116 Ca -0.35 0.02 0.43 0.00 -1.45 0.00 0.00 58.65 57.29 1wif h GLN 116 Cb 1.16 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 28.53 1wif h GLN 116 CO 0.95 -0.15 0.85 0.39 -0.95 0.00 0.00 178.83 179.92 1wif n GLU 117 N -5.41 -0.03 0.00 1.46 1.02 -1.26 -2.96 120.64 113.46 1wif n GLU 117 Ca 0.01 1.07 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 1wif n GLU 117 Cb 0.33 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 1wif n GLU 117 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1wif n TRP 118 N -4.33 0.00 -0.26 -0.32 7.02 0.25 -5.01 117.44 114.78 1wif n TRP 118 Ca 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.84 1wif n TRP 118 Cb 1.43 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 30.32 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 -0.01 0.00 0.00 -0.99 1.13 -1.11 -4.89 117.38 111.51 1wif n GLN 119 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1wif n GLN 119 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1wif n GLN 119 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1wif n ASP 120 N -3.95 0.00 -4.26 1.08 -0.08 -1.26 -5.09 116.55 102.99 1wif n ASP 120 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1wif n ASP 120 Cb 0.00 0.09 -0.16 0.00 2.34 0.00 0.00 41.12 43.39 1wif n ASP 120 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1wif s SER 121 N -3.79 3.52 -0.21 1.67 0.15 -1.26 -5.10 113.70 108.67 1wif s SER 121 Ca 0.00 -0.48 -0.28 0.00 0.70 0.00 0.00 55.95 55.89 1wif s SER 121 Cb 0.00 -1.52 0.13 0.00 -1.71 0.00 0.00 66.02 62.92 1wif s SER 121 CO 0.00 0.12 1.05 -0.83 1.20 0.00 0.00 173.24 174.78 1wif s GLY 122 N 0.61 -0.18 0.66 9.45 0.00 -1.26 -5.17 107.32 111.44 1wif s GLY 122 Ca -0.10 2.35 -0.15 0.00 0.00 0.00 0.00 44.72 46.83 1wif s GLY 122 CO 0.03 1.34 1.11 2.56 0.00 0.00 0.00 173.10 178.14 1wif s PRO 123 N -0.62 2.77 0.17 2.90 0.04 -1.26 -5.06 135.00 133.93 1wif s PRO 123 Ca 0.01 1.38 0.10 0.00 0.04 0.00 0.00 61.00 62.53 1wif s PRO 123 Cb -0.02 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1wif s PRO 123 CO -0.02 -1.27 -0.19 0.45 0.04 0.00 0.00 177.00 176.01 1wif s SER 124 N -2.62 3.77 0.16 6.66 0.15 -1.26 -5.04 113.70 115.52 1wif s SER 124 Ca 0.67 -0.70 -0.24 0.00 0.70 0.00 0.00 55.95 56.38 1wif s SER 124 Cb -0.20 -0.46 0.04 0.00 -1.71 0.00 0.00 66.02 63.69 1wif s SER 124 CO 0.42 0.13 1.59 0.28 1.20 0.00 0.00 173.24 176.86 1wif h SER 125 N 3.30 -1.23 0.00 5.45 0.02 -2.10 -3.58 113.55 115.41 1wif h SER 125 Ca -0.48 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1wif h SER 125 Cb 1.19 0.56 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1wif h SER 125 CO 0.49 -0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.45