#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n GLN 2 N 0.00 -2.59 -0.51 0.38 7.27 -1.26 -4.76 117.38 115.92 2i2t n GLN 2 Ca 0.00 2.09 -0.29 0.00 0.07 0.00 0.00 57.00 58.87 2i2t n GLN 2 Cb 0.00 -2.89 0.22 0.00 2.41 0.00 0.00 30.24 29.99 2i2t n GLN 2 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2i2t n GLU 3 N -3.40 -2.54 0.00 3.69 1.02 -1.26 -4.49 120.64 113.66 2i2t n GLU 3 Ca -0.05 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 2i2t n GLU 3 Cb 0.47 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2i2t n GLU 3 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2i2t n GLN 4 N -3.70 0.00 -1.51 3.49 1.13 -0.33 -4.90 117.38 111.56 2i2t n GLN 4 Ca 0.03 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.10 2i2t n GLN 4 Cb 0.56 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.91 2i2t n GLN 4 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2i2t n THR 5 N 0.00 -2.73 -3.94 5.09 -1.04 -1.26 -1.41 114.28 108.99 2i2t n THR 5 Ca 0.00 1.39 -0.28 0.00 -2.04 0.00 0.00 64.05 63.11 2i2t n THR 5 Cb 0.00 -2.30 -0.17 0.00 -1.82 0.00 0.00 70.33 66.04 2i2t n THR 5 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2i2t s MET 6 N -5.33 1.77 0.34 -2.82 -1.94 -1.26 -2.84 119.30 107.23 2i2t s MET 6 Ca 0.00 -0.42 0.08 0.00 -1.71 0.00 0.00 55.69 53.64 2i2t s MET 6 Cb 0.00 -1.86 -0.04 0.00 2.01 0.00 0.00 34.83 34.94 2i2t s MET 6 CO 0.00 -0.30 0.18 -0.51 -0.01 0.00 0.00 175.02 174.39 2i2t s LEU 7 N 1.61 3.33 0.20 -0.03 1.02 -0.74 -4.71 118.68 119.36 2i2t s LEU 7 Ca 0.04 -0.73 0.05 0.00 0.02 0.00 0.00 54.13 53.51 2i2t s LEU 7 Cb -0.13 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.21 2i2t s LEU 7 CO -0.09 -0.33 0.23 0.20 0.02 0.00 0.00 176.35 176.38 2i2t s ASN 8 N -3.89 5.86 -0.20 2.29 0.01 0.78 -2.86 114.94 116.93 2i2t s ASN 8 Ca 0.39 -0.06 -0.28 0.00 -0.71 0.00 0.00 52.86 52.20 2i2t s ASN 8 Cb -0.03 -1.62 0.00 0.00 0.41 0.00 0.00 41.25 40.02 2i2t s ASN 8 CO 0.24 0.00 0.99 -0.69 -1.51 0.00 0.00 177.10 176.13 2i2t s VAL 9 N -1.91 4.74 -0.44 1.60 1.01 -1.26 0.51 120.40 124.65 2i2t s VAL 9 Ca 0.33 1.93 0.13 0.00 0.00 0.00 0.00 61.98 64.37 2i2t s VAL 9 Cb -0.09 -4.27 0.71 0.00 0.00 0.00 0.00 36.38 32.73 2i2t s VAL 9 CO 0.26 -0.11 1.59 0.00 0.00 0.00 0.00 175.10 176.83 2i2t n ALA 10 N 5.93 3.65 -2.00 5.51 0.00 -0.19 -4.84 120.51 128.56 2i2t n ALA 10 Ca 0.10 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.90 2i2t n ALA 10 Cb 0.47 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2i2t n ALA 10 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2i2t n ASP 11 N 0.60 0.00 -3.26 0.00 5.68 -1.26 0.45 116.55 118.75 2i2t n ASP 11 Ca 0.24 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.43 2i2t n ASP 11 Cb 1.05 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 41.02 2i2t n ASP 11 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2i2t s ASN 12 N 1.30 0.18 -0.12 -1.12 2.20 -1.26 -4.59 114.94 111.54 2i2t s ASN 12 Ca 0.00 -1.13 -0.04 0.00 -0.94 0.00 0.00 52.86 50.76 2i2t s ASN 12 Cb 0.00 0.76 0.00 0.00 -2.00 0.00 0.00 41.25 40.01 2i2t s ASN 12 CO 0.00 -1.48 0.14 -0.24 -2.94 0.00 0.00 177.10 172.58 2i2t n SER 13 N -1.15 -3.69 0.00 3.54 2.88 -1.26 -4.83 113.62 109.10 2i2t n SER 13 Ca -0.05 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2i2t n SER 13 Cb 0.60 -2.24 0.00 0.00 -0.75 0.00 0.00 64.21 61.82 2i2t n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2i2t n GLY 14 N -0.33 0.74 3.56 0.46 0.00 -1.26 -4.35 105.19 104.01 2i2t n GLY 14 Ca 0.03 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 2i2t n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2t s ALA 15 N 0.00 0.41 0.00 4.61 0.00 -1.26 -4.61 121.76 120.91 2i2t s ALA 15 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2i2t s ALA 15 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2i2t s ALA 15 CO 0.00 -3.59 0.00 0.54 0.00 0.00 0.00 175.76 172.71 2i2t n ARG 16 N -4.77 0.00 0.00 0.00 5.12 -1.26 -2.78 116.66 112.97 2i2t n ARG 16 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2i2t n ARG 16 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 2i2t n ARG 16 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2i2t n ARG 17 N 0.00 0.00 -3.67 5.56 1.74 -1.26 -4.42 116.66 114.60 2i2t n ARG 17 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2i2t n ARG 17 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 2i2t n ARG 17 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2i2t s VAL 18 N 0.00 -0.38 -0.10 1.55 1.01 -1.13 -2.40 120.40 118.94 2i2t s VAL 18 Ca 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 2i2t s VAL 18 Cb 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 2i2t s VAL 18 CO 0.00 0.10 0.34 -0.32 0.00 0.00 0.00 175.10 175.23 2i2t s MET 19 N 2.26 4.10 0.37 2.72 1.75 -0.84 -1.79 119.30 127.86 2i2t s MET 19 Ca -0.01 0.22 -0.25 0.00 -1.25 0.00 0.00 55.69 54.40 2i2t s MET 19 Cb -0.12 -3.35 -0.09 0.00 2.84 0.00 0.00 34.83 34.12 2i2t s MET 19 CO -0.09 0.40 1.06 0.00 -0.65 0.00 0.00 175.02 175.74 2i2t n ILE 21 N 0.22 0.00 -3.50 0.00 -5.35 -0.53 -1.19 119.36 109.01 2i2t n ILE 21 Ca 0.04 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2i2t n ILE 21 Cb 0.49 1.51 -0.05 0.00 -1.74 0.00 0.00 39.64 39.85 2i2t n ILE 21 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2i2t s LYS 22 N -0.06 0.27 -0.44 6.28 2.47 -1.24 -4.87 119.74 122.16 2i2t s LYS 22 Ca 0.00 0.57 -0.23 0.00 -1.56 0.00 0.00 55.97 54.74 2i2t s LYS 22 Cb 0.00 0.22 0.02 0.00 -1.46 0.00 0.00 37.83 36.61 2i2t s LYS 22 CO 0.00 -0.07 0.79 0.08 0.16 0.00 0.00 175.35 176.31 2i2t s VAL 23 N 1.83 4.65 0.23 4.02 1.01 -1.26 -2.07 120.40 128.81 2i2t s VAL 23 Ca -0.05 0.48 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 2i2t s VAL 23 Cb -0.04 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 2i2t s VAL 23 CO -0.15 -0.70 0.80 -0.76 0.00 0.00 0.00 175.10 174.29 2i2t s LEU 24 N 3.30 4.42 0.00 3.92 1.43 -1.24 -4.56 118.68 125.94 2i2t s LEU 24 Ca 0.30 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2i2t s LEU 24 Cb -0.12 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2i2t s LEU 24 CO 0.22 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2i2t n GLY 25 N 0.95 0.93 0.00 -3.19 0.00 -1.26 -4.80 105.19 97.81 2i2t n GLY 25 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2i2t n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2t n GLY 26 N 0.00 3.28 3.69 -0.02 0.00 -1.26 -5.02 105.19 105.86 2i2t n GLY 26 Ca 0.00 -1.04 -0.55 0.00 0.00 0.00 0.00 46.02 44.44 2i2t n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2i2t n SER 27 N 0.00 2.55 -0.08 1.61 3.41 -1.26 -1.38 113.62 118.47 2i2t n SER 27 Ca 0.00 1.06 -0.01 0.00 -0.26 0.00 0.00 58.87 59.66 2i2t n SER 27 Cb 0.00 -1.20 -0.00 0.00 -0.26 0.00 0.00 64.21 62.75 2i2t n SER 27 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2i2t n HIS 28 N 5.30 0.00 -1.64 7.33 8.25 -1.26 -4.95 115.22 128.26 2i2t n HIS 28 Ca 0.25 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 57.21 2i2t n HIS 28 Cb 0.17 -0.78 -0.05 0.00 1.12 0.00 0.00 29.99 30.45 2i2t n HIS 28 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2i2t n ARG 29 N -1.84 1.85 0.00 -0.41 0.63 -0.48 -4.88 116.66 111.53 2i2t n ARG 29 Ca -0.01 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 2i2t n ARG 29 Cb 0.17 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.47 2i2t n ARG 29 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2i2t n ARG 30 N 7.01 0.00 -4.53 -0.14 5.12 -1.26 -4.80 116.66 118.06 2i2t n ARG 30 Ca 0.27 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.94 2i2t n ARG 30 Cb 0.28 -0.84 -0.11 0.00 -1.16 0.00 0.00 32.46 30.64 2i2t n ARG 30 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2i2t s TYR 31 N -0.70 2.32 0.23 -1.55 2.02 -1.26 -4.03 117.35 114.38 2i2t s TYR 31 Ca 0.00 -0.58 0.04 0.00 -0.37 0.00 0.00 57.07 56.16 2i2t s TYR 31 Cb 0.00 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.12 2i2t s TYR 31 CO 0.00 0.48 -0.01 0.00 -1.57 0.00 0.00 175.55 174.45 2i2t s ALA 32 N -2.73 1.82 0.00 3.71 0.00 -1.26 -4.78 121.76 118.52 2i2t s ALA 32 Ca 0.32 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2i2t s ALA 32 Cb 0.04 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.62 2i2t s ALA 32 CO 0.16 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2i2t n GLY 33 N -0.42 1.94 1.48 0.00 0.00 -1.26 -2.83 105.19 104.10 2i2t n GLY 33 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2i2t n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2i2t n VAL 34 N 0.00 0.00 -2.83 1.61 0.24 -1.26 -2.04 118.33 114.05 2i2t n VAL 34 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 2i2t n VAL 34 Cb 0.00 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.43 2i2t n VAL 34 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2i2t n GLY 35 N 0.00 1.16 3.89 7.63 0.00 -1.24 -3.83 105.19 112.79 2i2t n GLY 35 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 2i2t n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i2t s ASP 36 N -1.54 5.09 -0.06 1.61 1.01 -0.86 -4.81 116.67 117.11 2i2t s ASP 36 Ca 0.27 -0.73 -0.18 0.00 0.71 0.00 0.00 52.55 52.62 2i2t s ASP 36 Cb 0.29 -0.56 -0.05 0.00 1.01 0.00 0.00 42.92 43.61 2i2t s ASP 36 CO -0.08 -0.67 0.51 -0.63 0.21 0.00 0.00 175.17 174.50 2i2t s ILE 37 N -2.47 5.06 -0.02 0.77 -1.09 -1.26 -2.51 121.20 119.68 2i2t s ILE 37 Ca 0.49 1.04 -0.01 0.00 -2.23 0.00 0.00 60.65 59.93 2i2t s ILE 37 Cb -0.04 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 37.03 2i2t s ILE 37 CO 0.28 0.40 0.05 -0.63 -1.23 0.00 0.00 174.94 173.81 2i2t s ILE 38 N 0.04 -0.04 0.10 2.92 -1.09 0.31 -3.74 121.20 119.70 2i2t s ILE 38 Ca 0.27 0.14 -0.31 0.00 -2.23 0.00 0.00 60.65 58.53 2i2t s ILE 38 Cb -0.16 -0.10 -0.09 0.00 -1.58 0.00 0.00 42.46 40.53 2i2t s ILE 38 CO 0.13 0.06 1.67 -0.75 -1.23 0.00 0.00 174.94 174.82 2i2t s LYS 39 N 0.75 4.19 0.28 2.79 2.47 -0.88 0.69 119.74 130.03 2i2t s LYS 39 Ca -0.06 2.39 0.11 0.00 -1.56 0.00 0.00 55.97 56.85 2i2t s LYS 39 Cb -0.09 -3.49 -0.05 0.00 -1.46 0.00 0.00 37.83 32.74 2i2t s LYS 39 CO -0.02 -0.73 -0.18 0.42 0.16 0.00 0.00 175.35 175.00 2i2t s ILE 40 N 2.31 2.35 -0.21 5.43 1.09 -0.47 -1.46 121.20 130.24 2i2t s ILE 40 Ca 0.74 -2.35 -0.04 0.00 -1.10 0.00 0.00 60.65 57.90 2i2t s ILE 40 Cb -0.42 -2.33 0.07 0.00 -1.06 0.00 0.00 42.46 38.72 2i2t s ILE 40 CO 0.33 -0.39 0.09 -0.89 -0.10 0.00 0.00 174.94 173.98 2i2t s THR 41 N -2.58 0.02 0.18 2.92 2.01 0.09 -2.43 115.64 115.84 2i2t s THR 41 Ca 0.30 -0.40 -0.33 0.00 0.31 0.00 0.00 61.69 61.56 2i2t s THR 41 Cb -0.03 -0.77 -0.14 0.00 0.01 0.00 0.00 72.50 71.57 2i2t s THR 41 CO 0.14 -0.40 1.44 -0.38 -0.69 0.00 0.00 174.62 174.73 2i2t n ILE 42 N 5.23 0.40 -0.02 1.82 5.41 -0.86 -1.99 119.36 129.34 2i2t n ILE 42 Ca -0.07 -0.10 -0.03 0.00 1.00 0.00 0.00 62.75 63.56 2i2t n ILE 42 Cb 0.47 -1.33 -0.04 0.00 -0.71 0.00 0.00 39.64 38.03 2i2t n ILE 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2i2t n LYS 43 N 2.65 2.96 0.00 0.38 4.76 -1.01 -1.82 118.16 126.08 2i2t n LYS 43 Ca 0.15 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.59 2i2t n LYS 43 Cb 0.28 -1.13 -0.00 0.00 -1.84 0.00 0.00 35.03 32.34 2i2t n LYS 43 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2i2t n GLU 44 N -2.22 0.03 -1.48 1.97 1.02 -1.02 -4.87 120.64 114.07 2i2t n GLU 44 Ca -0.08 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2i2t n GLU 44 Cb 0.66 -0.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 2i2t n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i2t n ALA 45 N -2.75 -1.89 -1.81 0.62 0.00 -1.12 -4.47 120.51 109.10 2i2t n ALA 45 Ca -0.01 0.44 -0.34 0.00 0.00 0.00 0.00 53.44 53.53 2i2t n ALA 45 Cb 0.03 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 2i2t n ALA 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2i2t s ILE 46 N -4.06 4.07 0.18 0.00 1.01 -1.26 -4.54 121.20 116.60 2i2t s ILE 46 Ca 0.00 1.31 -0.21 0.00 0.00 0.00 0.00 60.65 61.76 2i2t s ILE 46 Cb 0.00 -3.54 0.11 0.00 0.01 0.00 0.00 42.46 39.04 2i2t s ILE 46 CO 0.00 -0.26 1.60 1.55 0.00 0.00 0.00 174.94 177.83 2i2t h PRO 47 N 1.80 -0.17 0.00 2.79 0.13 -1.96 -3.41 132.00 131.18 2i2t h PRO 47 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2i2t h PRO 47 Cb 1.20 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2i2t h PRO 47 CO 0.60 -0.11 0.00 0.54 -0.23 0.00 0.00 178.00 178.80 2i2t n ARG 48 N -5.43 1.48 -0.12 0.86 1.74 -1.26 -5.03 116.66 108.90 2i2t n ARG 48 Ca 0.03 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.13 2i2t n ARG 48 Cb 0.35 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.78 2i2t n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i2t n GLY 49 N 4.83 -1.43 0.01 -0.13 0.00 -1.26 -4.65 105.19 102.57 2i2t n GLY 49 Ca 0.00 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.62 2i2t n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2i2t n LYS 50 N -1.48 0.63 -4.57 1.61 4.81 -1.26 -4.92 118.16 112.97 2i2t n LYS 50 Ca 0.00 -0.19 -0.31 0.00 -0.87 0.00 0.00 58.31 56.94 2i2t n LYS 50 Cb 0.06 -1.49 -0.12 0.00 0.02 0.00 0.00 35.03 33.50 2i2t n LYS 50 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2i2t s VAL 51 N -3.43 3.20 0.10 3.15 1.01 -1.26 -5.11 120.40 118.06 2i2t s VAL 51 Ca -0.08 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.94 2i2t s VAL 51 Cb 0.13 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2i2t s VAL 51 CO 0.86 0.37 -0.07 -1.59 0.00 0.00 0.00 175.10 174.67 2i2t s LYS 52 N -1.42 0.82 0.22 2.72 0.00 -1.26 -4.11 119.74 116.70 2i2t s LYS 52 Ca 0.16 -1.27 -0.28 0.00 0.00 0.00 0.00 55.97 54.59 2i2t s LYS 52 Cb -0.11 -0.27 -0.17 0.00 0.00 0.00 0.00 37.83 37.28 2i2t s LYS 52 CO 0.06 0.00 0.53 0.36 0.00 0.00 0.00 175.35 176.31 2i2t n LYS 53 N 0.16 0.09 0.00 1.78 0.00 -1.26 -1.86 118.16 117.08 2i2t n LYS 53 Ca -0.13 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2i2t n LYS 53 Cb 0.60 -1.06 0.00 0.00 -0.00 0.00 0.00 35.03 34.57 2i2t n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2i2t n GLY 54 N 1.96 3.13 3.58 2.58 0.00 -0.76 -5.00 105.19 110.69 2i2t n GLY 54 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2i2t n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i2t n ASP 55 N 0.08 -0.25 -3.51 1.61 8.00 -0.78 -4.74 116.55 116.96 2i2t n ASP 55 Ca 0.00 0.47 -0.27 0.00 0.71 0.00 0.00 54.79 55.70 2i2t n ASP 55 Cb 0.00 -1.39 -0.10 0.00 -0.02 0.00 0.00 41.12 39.61 2i2t n ASP 55 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2i2t n VAL 56 N -3.52 -0.48 -0.57 2.53 0.31 -1.26 -2.03 118.33 113.31 2i2t n VAL 56 Ca 0.11 -3.81 0.00 0.00 -0.01 0.00 0.00 64.34 60.63 2i2t n VAL 56 Cb 0.52 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 2i2t n VAL 56 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2i2t n LEU 57 N 2.57 0.00 -3.93 7.52 4.77 -1.02 -4.88 117.00 122.03 2i2t n LEU 57 Ca 0.27 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 2i2t n LEU 57 Cb 0.45 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 2i2t n LEU 57 CO 0.13 0.00 -0.15 -1.59 -1.33 0.00 0.00 177.39 174.45 2i2t s LYS 58 N 3.93 0.84 0.28 3.23 -2.85 -1.26 -1.37 119.74 122.54 2i2t s LYS 58 Ca 0.00 -1.06 -0.11 0.00 -1.00 0.00 0.00 55.97 53.80 2i2t s LYS 58 Cb 0.00 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 2i2t s LYS 58 CO 0.00 -0.26 0.50 0.00 0.10 0.00 0.00 175.35 175.69 2i2t s ALA 59 N -3.90 -0.09 -0.13 0.59 0.00 0.22 -3.02 121.76 115.44 2i2t s ALA 59 Ca 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2i2t s ALA 59 Cb 0.05 1.06 -0.01 0.00 0.00 0.00 0.00 23.12 24.22 2i2t s ALA 59 CO -0.09 -0.85 -0.15 0.14 0.00 0.00 0.00 175.76 174.81 2i2t s VAL 60 N -3.71 2.86 0.33 0.00 -7.23 -0.49 0.11 120.40 112.27 2i2t s VAL 60 Ca 0.23 -0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 59.39 2i2t s VAL 60 Cb -0.01 -2.19 -0.10 0.00 0.56 0.00 0.00 36.38 34.64 2i2t s VAL 60 CO 0.11 0.53 1.38 -0.69 -0.31 0.00 0.00 175.10 176.12 2i2t s VAL 61 N 0.43 2.54 0.00 1.32 1.01 -1.05 -2.43 120.40 122.22 2i2t s VAL 61 Ca -0.11 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2i2t s VAL 61 Cb -0.16 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2i2t s VAL 61 CO 0.05 0.12 0.00 0.52 0.00 0.00 0.00 175.10 175.79 2i2t n VAL 62 N 1.03 0.00 -3.34 2.92 0.31 -0.91 -3.69 118.33 114.65 2i2t n VAL 62 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 2i2t n VAL 62 Cb 0.41 -0.81 -0.07 0.00 -0.91 0.00 0.00 33.84 32.46 2i2t n VAL 62 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2i2t s ARG 63 N -1.83 0.64 0.75 5.55 3.00 -1.25 -4.58 118.95 121.23 2i2t s ARG 63 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 55.73 54.90 2i2t s ARG 63 Cb 0.00 -0.60 0.04 0.00 0.00 0.00 0.00 34.95 34.39 2i2t s ARG 63 CO 0.00 -1.18 1.09 0.95 0.00 0.00 0.00 175.30 176.15 2i2t s THR 64 N 1.57 3.43 0.01 0.02 -4.23 -1.26 -0.28 115.64 114.89 2i2t s THR 64 Ca 0.16 0.47 0.11 0.00 -1.18 0.00 0.00 61.69 61.25 2i2t s THR 64 Cb -0.14 -3.29 -0.17 0.00 1.34 0.00 0.00 72.50 70.25 2i2t s THR 64 CO -0.06 -0.61 1.07 0.50 -0.54 0.00 0.00 174.62 174.99 2i2t h LYS 65 N -0.87 0.00 0.65 3.99 3.64 -1.69 -3.14 116.57 119.15 2i2t h LYS 65 Ca -0.46 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 2i2t h LYS 65 Cb 1.25 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2i2t h LYS 65 CO 0.60 0.70 -0.31 -0.22 -2.27 0.00 0.00 179.45 177.95 2i2t h LYS 66 N 0.00 -0.84 0.00 1.90 3.64 -1.89 -3.36 116.57 116.02 2i2t h LYS 66 Ca -0.11 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2i2t h LYS 66 Cb 1.77 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 2i2t h LYS 66 CO 0.10 -0.56 0.00 0.41 -2.27 0.00 0.00 179.45 177.13 2i2t n GLY 67 N -0.58 0.52 3.22 5.01 0.00 -1.26 -4.56 105.19 107.55 2i2t n GLY 67 Ca -0.11 -2.21 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 2i2t n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i2t s VAL 68 N -0.62 0.11 0.00 1.61 1.01 0.12 -4.85 120.40 117.78 2i2t s VAL 68 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 59.99 2i2t s VAL 68 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.89 2i2t s VAL 68 CO 0.00 -0.04 0.00 -2.11 0.00 0.00 0.00 175.10 172.95 2i2t n ARG 69 N -0.29 0.00 0.00 2.72 1.85 -1.26 -0.05 116.66 119.63 2i2t n ARG 69 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2i2t n ARG 69 Cb 0.66 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.07 2i2t n ARG 69 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2i2t n ARG 70 N -0.26 0.00 0.00 2.89 5.12 -1.26 -4.98 116.66 118.16 2i2t n ARG 70 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2i2t n ARG 70 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2i2t n ARG 70 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2i2t n PRO 71 N 0.00 0.00 -0.05 5.56 -0.02 -1.26 0.18 135.00 139.42 2i2t n PRO 71 Ca 0.00 0.00 0.23 0.00 -2.02 0.00 0.00 63.50 61.71 2i2t n PRO 71 Cb 0.00 0.00 0.55 0.00 -0.02 0.00 0.00 33.50 34.03 2i2t n PRO 71 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2i2t h ASP 72 N 0.00 0.00 0.00 2.55 2.03 -2.06 -3.43 116.42 115.51 2i2t h ASP 72 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2i2t h ASP 72 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2i2t h ASP 72 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2i2t n GLY 73 N -1.60 1.00 3.73 7.15 0.00 0.49 -5.06 105.19 110.91 2i2t n GLY 73 Ca 0.15 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2i2t n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2i2t s SER 74 N -2.41 6.57 -0.15 1.61 1.04 -1.25 -4.89 113.70 114.20 2i2t s SER 74 Ca 0.00 0.67 -0.12 0.00 0.48 0.00 0.00 55.95 56.98 2i2t s SER 74 Cb 0.00 -2.23 -0.05 0.00 0.10 0.00 0.00 66.02 63.84 2i2t s SER 74 CO 0.00 0.07 0.24 -0.69 0.98 0.00 0.00 173.24 173.83 2i2t s VAL 75 N 0.46 5.34 -0.34 5.02 1.01 -1.26 -4.12 120.40 126.50 2i2t s VAL 75 Ca 0.21 0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.56 2i2t s VAL 75 Cb -0.14 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.72 2i2t s VAL 75 CO 0.07 0.46 0.11 -0.63 0.00 0.00 0.00 175.10 175.11 2i2t s ILE 76 N 0.04 3.85 0.26 2.22 1.01 0.93 -4.92 121.20 124.60 2i2t s ILE 76 Ca 0.15 -1.10 0.10 0.00 0.00 0.00 0.00 60.65 59.81 2i2t s ILE 76 Cb -0.13 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 2i2t s ILE 76 CO 0.03 -0.18 -0.09 -0.13 0.00 0.00 0.00 174.94 174.58 2i2t s ARG 77 N 1.42 2.02 0.43 2.79 0.52 -1.26 -0.70 118.95 124.17 2i2t s ARG 77 Ca -0.01 -1.55 0.03 0.00 -0.52 0.00 0.00 55.73 53.68 2i2t s ARG 77 Cb -0.19 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 2i2t s ARG 77 CO 0.03 0.36 0.06 -0.06 0.02 0.00 0.00 175.30 175.71 2i2t s PHE 78 N -2.34 1.91 -0.65 -0.53 0.40 -1.18 -4.99 117.98 110.60 2i2t s PHE 78 Ca 0.30 -1.06 0.03 0.00 -0.60 0.00 0.00 56.93 55.60 2i2t s PHE 78 Cb -0.06 -1.40 0.16 0.00 0.51 0.00 0.00 43.02 42.23 2i2t s PHE 78 CO 0.17 0.01 0.44 0.16 0.70 0.00 0.00 175.22 176.70 2i2t s ASP 79 N -3.69 4.84 0.00 1.36 1.47 -1.26 -4.34 116.67 115.04 2i2t s ASP 79 Ca 0.20 -3.40 0.00 0.00 1.18 0.00 0.00 52.55 50.54 2i2t s ASP 79 Cb 0.04 -1.70 0.00 0.00 -0.34 0.00 0.00 42.92 40.92 2i2t s ASP 79 CO 0.11 -0.19 0.00 0.61 0.68 0.00 0.00 175.17 176.38 2i2t n GLY 80 N 2.64 2.99 3.11 2.12 0.00 -1.26 -5.03 105.19 109.76 2i2t n GLY 80 Ca 0.13 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 2i2t n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i2t s ASN 81 N 0.00 3.62 0.34 1.61 0.01 -1.22 -2.56 114.94 116.74 2i2t s ASN 81 Ca 0.00 -0.88 -0.07 0.00 -0.71 0.00 0.00 52.86 51.20 2i2t s ASN 81 Cb 0.00 -1.52 -0.05 0.00 0.41 0.00 0.00 41.25 40.09 2i2t s ASN 81 CO 0.00 -0.06 0.64 0.00 -1.51 0.00 0.00 177.10 176.16 2i2t s ALA 82 N 1.24 3.52 0.32 0.60 0.00 0.61 -0.15 121.76 127.90 2i2t s ALA 82 Ca 0.01 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.59 2i2t s ALA 82 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 2i2t s ALA 82 CO -0.10 0.12 0.27 0.00 0.00 0.00 0.00 175.76 176.05 2i2t s VAL 84 N -3.48 -0.70 0.43 0.00 1.01 -1.02 -1.02 120.40 115.62 2i2t s VAL 84 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 2i2t s VAL 84 Cb 0.03 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 2i2t s VAL 84 CO 0.27 0.00 0.98 -0.76 0.00 0.00 0.00 175.10 175.59 2i2t s LEU 85 N 2.66 3.98 -0.06 3.92 1.43 -1.26 -1.39 118.68 127.95 2i2t s LEU 85 Ca -0.02 1.81 -0.07 0.00 -1.03 0.00 0.00 54.13 54.82 2i2t s LEU 85 Cb -0.09 -4.45 0.02 0.00 0.03 0.00 0.00 46.19 41.69 2i2t s LEU 85 CO -0.18 -0.46 0.18 -1.48 0.23 0.00 0.00 176.35 174.64 2i2t s LEU 86 N -3.09 1.31 -0.17 1.79 2.34 -1.17 -1.60 118.68 118.09 2i2t s LEU 86 Ca 0.62 0.32 -0.33 0.00 0.06 0.00 0.00 54.13 54.80 2i2t s LEU 86 Cb -0.13 0.64 -0.10 0.00 -0.56 0.00 0.00 46.19 46.04 2i2t s LEU 86 CO 0.18 -0.10 2.03 -0.46 -1.06 0.00 0.00 176.35 176.94 2i2t n ASN 87 N 2.83 3.16 -0.09 1.48 6.94 -1.18 -4.39 115.26 124.01 2i2t n ASN 87 Ca -0.14 0.69 -0.02 0.00 -0.02 0.00 0.00 54.58 55.09 2i2t n ASN 87 Cb 0.58 -1.39 -0.02 0.00 -2.36 0.00 0.00 39.78 36.59 2i2t n ASN 87 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2i2t n ASN 88 N 8.44 -0.22 -0.00 0.53 2.85 -1.26 -3.25 115.26 122.34 2i2t n ASN 88 Ca 0.28 1.04 0.12 0.00 -0.11 0.00 0.00 54.58 55.91 2i2t n ASN 88 Cb 0.32 -0.38 0.55 0.00 1.24 0.00 0.00 39.78 41.50 2i2t n ASN 88 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2i2t h ASN 89 N 0.00 0.26 -1.53 1.20 -1.07 -2.01 -3.39 115.58 109.04 2i2t h ASN 89 Ca 0.03 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.16 2i2t h ASN 89 Cb 0.09 -0.05 -0.25 0.00 -2.07 0.00 0.00 38.32 36.03 2i2t h ASN 89 CO -0.20 0.16 -0.60 -0.44 0.07 0.00 0.00 177.43 176.42 2i2t s SER 90 N -6.42 -0.09 0.00 6.14 0.01 -1.20 -5.16 113.70 106.98 2i2t s SER 90 Ca -0.07 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.75 2i2t s SER 90 Cb 0.19 1.15 0.00 0.00 0.21 0.00 0.00 66.02 67.57 2i2t s SER 90 CO 0.73 -0.19 0.00 -0.62 0.41 0.00 0.00 173.24 173.57 2i2t n GLU 91 N 4.02 0.00 -0.50 12.44 -0.58 -1.23 -4.88 120.64 129.92 2i2t n GLU 91 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2i2t n GLU 91 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 2i2t n GLU 91 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2i2t n GLN 92 N 0.00 -1.40 -1.61 3.49 1.13 -1.26 -4.56 117.38 113.17 2i2t n GLN 92 Ca 0.00 1.02 -0.53 0.00 -1.94 0.00 0.00 57.00 55.56 2i2t n GLN 92 Cb 0.00 -1.13 -0.06 0.00 0.11 0.00 0.00 30.24 29.16 2i2t n GLN 92 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2i2t n PRO 93 N -0.50 1.17 -2.10 -1.09 -0.04 -1.26 -3.11 135.00 128.07 2i2t n PRO 93 Ca 0.00 0.42 -0.42 0.00 -0.04 0.00 0.00 63.50 63.47 2i2t n PRO 93 Cb 0.00 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2i2t n PRO 93 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2i2t n ILE 94 N 2.82 4.29 -3.50 0.52 0.13 -0.63 -4.79 119.36 118.20 2i2t n ILE 94 Ca 0.19 -4.00 -0.01 0.00 -1.10 0.00 0.00 62.75 57.84 2i2t n ILE 94 Cb 0.19 -2.38 0.01 0.00 -0.84 0.00 0.00 39.64 36.61 2i2t n ILE 94 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2i2t n GLY 95 N 2.95 1.21 0.21 4.50 0.00 -1.26 -4.86 105.19 107.94 2i2t n GLY 95 Ca 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2i2t n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i2t n THR 96 N -0.19 0.00 -3.23 2.61 -2.24 -1.26 -5.06 114.28 104.91 2i2t n THR 96 Ca -0.01 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 2i2t n THR 96 Cb 0.16 -0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 2i2t n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2i2t s ARG 97 N -0.22 4.33 -0.36 -0.78 1.81 -1.26 -5.01 118.95 117.45 2i2t s ARG 97 Ca 0.00 0.63 -0.12 0.00 -1.72 0.00 0.00 55.73 54.52 2i2t s ARG 97 Cb 0.00 -3.40 0.01 0.00 -0.45 0.00 0.00 34.95 31.11 2i2t s ARG 97 CO 0.00 0.24 0.23 0.42 -0.68 0.00 0.00 175.30 175.50 2i2t s ILE 98 N 0.30 4.93 0.18 1.52 1.09 -1.26 -4.07 121.20 123.88 2i2t s ILE 98 Ca 0.30 -0.56 -0.29 0.00 -1.10 0.00 0.00 60.65 59.00 2i2t s ILE 98 Cb -0.17 -3.65 -0.08 0.00 -1.06 0.00 0.00 42.46 37.51 2i2t s ILE 98 CO 0.14 -0.14 0.91 -0.36 -0.10 0.00 0.00 174.94 175.40 2i2t s PHE 99 N 1.64 3.91 0.00 3.97 0.40 0.17 -4.40 117.98 123.67 2i2t s PHE 99 Ca 0.04 1.82 0.00 0.00 -0.60 0.00 0.00 56.93 58.19 2i2t s PHE 99 Cb -0.18 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.38 2i2t s PHE 99 CO 0.08 0.38 0.00 0.41 0.70 0.00 0.00 175.22 176.80 2i2t n GLY 100 N 1.78 -0.75 3.80 4.36 0.00 -1.26 -4.65 105.19 108.46 2i2t n GLY 100 Ca -0.01 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 2i2t n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2i2t s PRO 101 N -1.83 0.57 0.00 1.61 0.04 -1.26 -4.25 135.00 129.88 2i2t s PRO 101 Ca 0.00 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.02 2i2t s PRO 101 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2i2t s PRO 101 CO 0.00 -2.52 0.00 1.33 0.04 0.00 0.00 177.00 175.85 2i2t n VAL 102 N -3.93 0.00 -4.13 -0.36 0.24 -1.21 -4.88 118.33 104.06 2i2t n VAL 102 Ca 0.11 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.29 2i2t n VAL 102 Cb 0.60 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.86 2i2t n VAL 102 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2i2t s THR 103 N -1.49 0.65 -1.18 3.34 -4.23 -1.11 -4.57 115.64 107.05 2i2t s THR 103 Ca 0.00 -1.59 0.17 0.00 -1.18 0.00 0.00 61.69 59.09 2i2t s THR 103 Cb 0.00 -1.26 0.21 0.00 1.34 0.00 0.00 72.50 72.79 2i2t s THR 103 CO 0.00 -0.67 1.53 -2.11 -0.54 0.00 0.00 174.62 172.83 2i2t n ARG 104 N 0.56 0.10 0.00 3.99 0.00 -1.24 -1.72 116.66 118.35 2i2t n ARG 104 Ca -0.16 0.17 0.11 0.00 -0.00 0.00 0.00 57.85 57.97 2i2t n ARG 104 Cb 0.58 -1.50 0.59 0.00 -0.00 0.00 0.00 32.46 32.13 2i2t n ARG 104 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2i2t n GLU 105 N -1.41 0.45 0.00 2.89 4.71 -1.26 -1.64 120.64 124.38 2i2t n GLU 105 Ca 0.06 0.05 0.09 0.00 -0.01 0.00 0.00 57.16 57.35 2i2t n GLU 105 Cb 0.17 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.02 2i2t n GLU 105 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2i2t n LEU 106 N -1.18 1.06 -0.07 -4.62 7.94 -0.70 -4.32 117.00 115.11 2i2t n LEU 106 Ca 0.13 -0.55 0.00 0.00 -1.11 0.00 0.00 56.01 54.48 2i2t n LEU 106 Cb 0.14 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.09 2i2t n LEU 106 CO 0.15 0.25 0.20 -2.11 -1.11 0.00 0.00 177.39 174.77 2i2t n ARG 107 N -1.20 0.43 -0.74 1.96 1.85 -0.65 -4.18 116.66 114.13 2i2t n ARG 107 Ca 0.04 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.68 2i2t n ARG 107 Cb 0.32 -1.03 -0.03 0.00 -1.05 0.00 0.00 32.46 30.67 2i2t n ARG 107 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2i2t n SER 108 N -0.38 4.88 0.00 2.89 3.41 -1.26 -4.84 113.62 118.31 2i2t n SER 108 Ca 0.00 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 2i2t n SER 108 Cb 0.02 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 2i2t n SER 108 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i2t n GLU 109 N 4.03 0.00 0.00 4.33 4.71 -1.26 -3.52 120.64 128.93 2i2t n GLU 109 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 2i2t n GLU 109 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.60 2i2t n GLU 109 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2i2t n LYS 110 N 0.00 0.00 0.00 3.49 0.00 -1.26 0.43 118.16 120.82 2i2t n LYS 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2i2t n LYS 110 Cb 0.00 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 33.68 2i2t n LYS 110 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2i2t n PHE 111 N -0.62 0.00 0.00 5.58 0.99 -1.23 -4.80 117.46 117.38 2i2t n PHE 111 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2i2t n PHE 111 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 2i2t n PHE 111 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 2i2t n MET 112 N -1.77 0.00 -0.41 -1.08 2.81 0.17 -0.45 117.12 116.39 2i2t n MET 112 Ca 0.00 0.00 0.35 0.00 -1.81 0.00 0.00 57.70 56.24 2i2t n MET 112 Cb 0.40 0.00 0.63 0.00 -0.71 0.00 0.00 33.22 33.54 2i2t n MET 112 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2i2t h LYS 113 N 0.00 0.06 0.01 0.03 1.63 -1.90 -0.49 116.57 115.91 2i2t h LYS 113 Ca 0.00 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2i2t h LYS 113 Cb 0.00 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 2i2t h LYS 113 CO 0.00 0.04 -0.01 0.97 -3.45 0.00 0.00 179.45 177.00 2i2t h ILE 114 N 0.06 1.55 -0.45 2.00 2.10 -1.16 -3.32 117.51 118.29 2i2t h ILE 114 Ca 0.84 -1.82 0.02 0.00 1.08 0.00 0.00 64.86 64.98 2i2t h ILE 114 Cb 2.47 2.76 -0.02 0.00 -1.09 0.00 0.00 36.82 40.93 2i2t h ILE 114 CO -0.55 0.46 0.30 0.16 -1.08 0.00 0.00 178.15 177.44 2i2t h ILE 115 N -0.82 1.06 -0.50 2.19 -0.00 -1.30 0.75 117.51 118.90 2i2t h ILE 115 Ca -0.00 -0.18 0.03 0.00 -0.00 0.00 0.00 64.86 64.71 2i2t h ILE 115 Cb 0.77 0.49 -0.03 0.00 -0.00 0.00 0.00 36.82 38.05 2i2t h ILE 115 CO 0.00 0.10 0.33 0.77 -0.00 0.00 0.00 178.15 179.35 2i2t h SER 116 N 0.53 0.49 -2.33 2.16 4.64 -1.47 -3.40 113.55 114.18 2i2t h SER 116 Ca 0.18 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.96 2i2t h SER 116 Cb 0.05 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 2i2t h SER 116 CO -0.04 0.34 1.32 -0.76 -0.87 0.00 0.00 176.83 176.81 2i2t s LEU 117 N -9.50 3.40 0.00 5.97 1.43 0.26 -4.89 118.68 115.35 2i2t s LEU 117 Ca -0.08 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2i2t s LEU 117 Cb 0.18 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2i2t s LEU 117 CO 0.74 -2.07 0.00 0.00 0.23 0.00 0.00 176.35 175.26 2i2t n ALA 118 N 11.63 0.00 0.13 4.21 0.00 -1.26 -4.63 120.51 130.58 2i2t n ALA 118 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 2i2t n ALA 118 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 2i2t n ALA 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2i2t h PRO 119 N 0.00 -0.33 0.00 0.00 0.11 -1.77 -3.49 132.00 126.51 2i2t h PRO 119 Ca 0.00 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.15 2i2t h PRO 119 Cb 0.00 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.19 2i2t h PRO 119 CO 0.00 -0.22 0.33 -1.91 -0.21 0.00 0.00 178.00 175.99 2i2t n GLU 120 N -3.46 0.95 0.00 1.05 2.13 -1.26 -4.92 120.64 115.13 2i2t n GLU 120 Ca -0.04 -1.91 0.00 0.00 0.66 0.00 0.00 57.16 55.87 2i2t n GLU 120 Cb 0.14 2.42 0.00 0.00 0.27 0.00 0.00 31.44 34.26 2i2t n GLU 120 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00