#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n GLU 2 N 0.00 0.61 -2.06 0.03 -0.58 -1.26 -3.90 120.64 113.48 2i2t n GLU 2 Ca 0.00 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 2i2t n GLU 2 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2i2t n GLU 2 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2i2t n THR 3 N -3.82 -1.08 -2.39 2.62 5.66 -1.26 -4.02 114.28 109.99 2i2t n THR 3 Ca -0.51 0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 2i2t n THR 3 Cb 0.93 -1.74 0.00 0.00 -1.55 0.00 0.00 70.33 67.97 2i2t n THR 3 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 2i2t n ILE 4 N 1.15 0.00 -3.62 1.09 -6.64 -1.26 -3.92 119.36 106.16 2i2t n ILE 4 Ca 0.00 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.97 2i2t n ILE 4 Cb 0.24 -1.25 -0.06 0.00 -1.44 0.00 0.00 39.64 37.14 2i2t n ILE 4 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2i2t s ALA 5 N -2.49 -2.45 0.04 -1.28 0.00 -0.37 -4.64 121.76 110.58 2i2t s ALA 5 Ca 0.00 2.12 0.02 0.00 0.00 0.00 0.00 51.96 54.10 2i2t s ALA 5 Cb 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2i2t s ALA 5 CO 0.00 -0.39 -0.08 -1.59 0.00 0.00 0.00 175.76 173.71 2i2t s LYS 6 N 1.33 0.52 -0.28 0.00 -2.85 -1.26 0.25 119.74 117.45 2i2t s LYS 6 Ca -0.08 -0.72 0.02 0.00 -1.00 0.00 0.00 55.97 54.19 2i2t s LYS 6 Cb -0.03 -0.30 0.07 0.00 -2.06 0.00 0.00 37.83 35.51 2i2t s LYS 6 CO -0.13 0.05 -0.03 -1.58 0.10 0.00 0.00 175.35 173.76 2i2t s HIS 7 N -1.30 2.97 0.33 1.78 2.46 0.34 -4.98 115.29 116.89 2i2t s HIS 7 Ca -0.09 -2.26 -0.03 0.00 0.47 0.00 0.00 55.06 53.15 2i2t s HIS 7 Cb -0.09 -2.05 -0.04 0.00 -0.13 0.00 0.00 32.58 30.26 2i2t s HIS 7 CO 0.00 -0.86 0.57 1.03 -2.47 0.00 0.00 174.74 173.01 2i2t s ARG 8 N 1.19 3.56 -1.49 2.88 0.52 -1.26 -0.54 118.95 123.82 2i2t s ARG 8 Ca -0.01 -0.11 -0.00 0.00 -0.52 0.00 0.00 55.73 55.09 2i2t s ARG 8 Cb -0.19 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.65 2i2t s ARG 8 CO -0.08 0.15 0.01 0.72 0.02 0.00 0.00 175.30 176.12 2i2t n HIS 9 N -1.39 -0.84 -1.60 -0.53 8.25 -0.96 -4.89 115.22 113.26 2i2t n HIS 9 Ca -0.03 0.01 -0.44 0.00 -0.26 0.00 0.00 57.72 57.00 2i2t n HIS 9 Cb 0.55 -3.49 -0.04 0.00 1.12 0.00 0.00 29.99 28.13 2i2t n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i2t n ALA 10 N -1.86 1.61 -0.56 -1.41 0.00 0.22 -4.72 120.51 113.79 2i2t n ALA 10 Ca -0.21 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 52.95 2i2t n ALA 10 Cb 0.66 -2.81 -0.02 0.00 0.00 0.00 0.00 19.45 17.28 2i2t n ALA 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i2t n ARG 11 N 8.33 1.45 0.00 0.00 5.12 -1.26 -1.35 116.66 128.94 2i2t n ARG 11 Ca 0.29 -1.21 0.00 0.00 -1.93 0.00 0.00 57.85 54.99 2i2t n ARG 11 Cb 0.41 -2.36 0.00 0.00 -1.16 0.00 0.00 32.46 29.35 2i2t n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2i2t n SER 12 N 4.70 0.00 0.00 0.55 2.88 -1.26 -5.02 113.62 115.48 2i2t n SER 12 Ca 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2i2t n SER 12 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2i2t n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2i2t n SER 13 N -0.12 0.00 0.00 -3.46 3.41 -1.26 -4.56 113.62 107.64 2i2t n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2i2t n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2i2t n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i2t n ALA 14 N 0.00 0.00 0.30 7.33 0.00 -1.26 -3.27 120.51 123.61 2i2t n ALA 14 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2i2t n ALA 14 Cb 0.00 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.15 2i2t n ALA 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2i2t h GLN 15 N 0.00 0.00 -0.00 0.00 3.07 -1.98 1.11 115.11 117.30 2i2t h GLN 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2i2t h GLN 15 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2i2t h GLN 15 CO 0.00 0.00 -0.26 1.63 0.09 0.00 0.00 178.83 180.29 2i2t n LYS 16 N -2.64 0.55 -0.06 0.06 5.02 -1.26 -3.67 118.16 116.17 2i2t n LYS 16 Ca -0.00 -0.28 -0.11 0.00 -2.02 0.00 0.00 58.31 55.90 2i2t n LYS 16 Cb 0.18 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 2i2t n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2i2t n VAL 17 N -0.98 1.17 -0.04 -0.18 0.31 0.91 -4.47 118.33 115.06 2i2t n VAL 17 Ca 0.11 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2i2t n VAL 17 Cb 0.33 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 2i2t n VAL 17 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2i2t n ARG 18 N -3.92 0.56 0.00 5.55 1.85 0.35 -0.66 116.66 120.38 2i2t n ARG 18 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.66 2i2t n ARG 18 Cb 0.50 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.69 2i2t n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2i2t n LEU 19 N 1.43 2.71 -0.05 2.89 7.94 -1.24 -4.37 117.00 126.31 2i2t n LEU 19 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 2i2t n LEU 19 Cb 0.28 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.09 2i2t n LEU 19 CO 0.00 0.45 -0.81 0.55 -1.11 0.00 0.00 177.39 176.47 2i2t n VAL 20 N -2.44 1.54 0.15 1.96 3.14 0.16 -4.07 118.33 118.78 2i2t n VAL 20 Ca 0.00 -0.79 -0.14 0.00 -2.96 0.00 0.00 64.34 60.45 2i2t n VAL 20 Cb 0.49 -0.93 -0.07 0.00 -1.06 0.00 0.00 33.84 32.27 2i2t n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i2t h ALA 21 N 0.86 -0.32 -0.34 1.55 0.00 -1.21 -1.39 119.26 118.41 2i2t h ALA 21 Ca -0.40 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.54 2i2t h ALA 21 Cb 2.09 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 2i2t h ALA 21 CO 0.05 -0.68 0.35 -0.44 0.00 0.00 0.00 179.25 178.53 2i2t h ASP 22 N -0.32 0.00 -0.05 0.00 3.32 -1.76 0.11 116.42 117.72 2i2t h ASP 22 Ca -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2i2t h ASP 22 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2i2t h ASP 22 CO 0.04 0.00 0.03 -0.07 -1.72 0.00 0.00 179.24 177.52 2i2t h LEU 23 N 0.00 0.07 0.00 1.55 3.38 -1.39 -3.36 115.31 115.55 2i2t h LEU 23 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2i2t h LEU 23 Cb 0.86 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2i2t h LEU 23 CO -0.00 0.05 0.00 -0.38 0.09 0.00 0.00 178.44 178.20 2i2t n ILE 24 N -4.52 0.00 -0.85 1.22 5.41 0.39 -4.94 119.36 116.07 2i2t n ILE 24 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2i2t n ILE 24 Cb 0.09 -0.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 2i2t n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2i2t n ARG 25 N -0.39 -0.35 -0.08 0.38 0.63 -1.21 -2.79 116.66 112.85 2i2t n ARG 25 Ca 0.00 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 2i2t n ARG 25 Cb 0.00 -0.23 0.00 0.00 0.45 0.00 0.00 32.46 32.68 2i2t n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2i2t n GLY 26 N 1.43 2.50 2.52 5.14 0.00 0.88 -4.94 105.19 112.73 2i2t n GLY 26 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2i2t n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2t n LYS 27 N -2.00 3.71 0.00 1.61 5.02 -1.12 -4.56 118.16 120.82 2i2t n LYS 27 Ca 0.00 -2.77 0.00 0.00 -2.02 0.00 0.00 58.31 53.52 2i2t n LYS 27 Cb 0.00 -2.89 0.00 0.00 -0.02 0.00 0.00 35.03 32.12 2i2t n LYS 27 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2i2t n LYS 28 N 3.76 0.00 0.00 1.97 4.76 -1.26 -2.45 118.16 124.94 2i2t n LYS 28 Ca 0.63 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 2i2t n LYS 28 Cb 0.29 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 2i2t n LYS 28 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2i2t n VAL 29 N 0.00 0.00 0.21 -0.18 0.31 -0.87 -0.28 118.33 117.52 2i2t n VAL 29 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 2i2t n VAL 29 Cb 0.00 0.00 0.44 0.00 -0.91 0.00 0.00 33.84 33.37 2i2t n VAL 29 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2i2t h SER 30 N 0.00 0.00 0.00 4.52 4.64 -1.86 -3.21 113.55 117.64 2i2t h SER 30 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 2i2t h SER 30 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2i2t h SER 30 CO 0.00 0.27 -1.66 1.67 -0.87 0.00 0.00 176.83 176.24 2i2t n GLN 31 N -3.50 0.55 -0.66 4.77 0.00 -1.26 -4.35 117.38 112.93 2i2t n GLN 31 Ca -0.00 0.35 -0.28 0.00 -0.00 0.00 0.00 57.00 57.06 2i2t n GLN 31 Cb 0.43 -1.55 -0.04 0.00 0.00 0.00 0.00 30.24 29.07 2i2t n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2i2t n ALA 32 N -4.05 2.77 -0.06 1.69 0.00 -1.03 0.92 120.51 120.75 2i2t n ALA 32 Ca -0.35 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 50.99 2i2t n ALA 32 Cb 0.68 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.90 2i2t n ALA 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2i2t n LEU 33 N 6.28 0.00 -0.10 0.00 0.00 -1.23 -4.58 117.00 117.37 2i2t n LEU 33 Ca 0.37 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 56.15 2i2t n LEU 33 Cb 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.55 2i2t n LEU 33 CO 0.86 0.00 -0.71 0.47 0.00 0.00 0.00 177.39 178.01 2i2t n ASP 34 N 0.00 1.91 -0.20 1.96 10.43 0.26 -3.37 116.55 127.54 2i2t n ASP 34 Ca 0.00 0.37 0.00 0.00 2.57 0.00 0.00 54.79 57.74 2i2t n ASP 34 Cb 0.00 -0.92 0.09 0.00 1.84 0.00 0.00 41.12 42.13 2i2t n ASP 34 CO 0.00 0.00 0.00 0.16 -1.07 0.00 0.00 177.20 176.29 2i2t h ILE 35 N -0.84 0.48 -0.81 0.53 -2.65 -1.91 0.45 117.51 112.76 2i2t h ILE 35 Ca -0.42 -0.03 0.13 0.00 1.03 0.00 0.00 64.86 65.57 2i2t h ILE 35 Cb 1.46 0.38 -0.09 0.00 -2.05 0.00 0.00 36.82 36.52 2i2t h ILE 35 CO -0.20 0.02 0.40 -0.07 0.03 0.00 0.00 178.15 178.33 2i2t h LEU 36 N 0.09 0.49 0.00 0.16 -0.00 -1.86 0.90 115.31 115.10 2i2t h LEU 36 Ca 0.31 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.28 2i2t h LEU 36 Cb 0.50 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2i2t h LEU 36 CO -0.54 0.23 0.00 0.35 -0.00 0.00 0.00 178.44 178.48 2i2t n THR 37 N -4.87 0.00 -1.34 0.22 -2.24 0.15 -2.57 114.28 103.62 2i2t n THR 37 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2i2t n THR 37 Cb 0.38 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2i2t n THR 37 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2i2t n TYR 38 N -0.62 0.00 -3.67 4.78 4.02 0.17 -5.01 117.16 116.83 2i2t n TYR 38 Ca 0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.54 2i2t n TYR 38 Cb 0.02 0.03 -0.11 0.00 -0.02 0.00 0.00 39.34 39.25 2i2t n TYR 38 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2i2t s THR 39 N 0.00 4.11 -1.30 -0.72 -4.23 0.26 -5.01 115.64 108.75 2i2t s THR 39 Ca 0.00 -1.16 -0.17 0.00 -1.18 0.00 0.00 61.69 59.18 2i2t s THR 39 Cb 0.00 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2i2t s THR 39 CO 0.00 -0.30 2.07 -0.46 -0.54 0.00 0.00 174.62 175.38 2i2t n ASN 40 N 4.89 3.80 -3.71 3.99 0.23 -1.26 -4.79 115.26 118.41 2i2t n ASN 40 Ca -0.11 -2.82 -0.13 0.00 -0.53 0.00 0.00 54.58 50.99 2i2t n ASN 40 Cb 0.44 -1.59 -0.10 0.00 -2.08 0.00 0.00 39.78 36.46 2i2t n ASN 40 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2i2t s LYS 41 N 3.88 0.53 0.33 -3.83 1.02 -1.26 -5.06 119.74 115.36 2i2t s LYS 41 Ca 0.51 0.68 0.12 0.00 0.02 0.00 0.00 55.97 57.30 2i2t s LYS 41 Cb 0.11 0.23 1.02 0.00 -0.52 0.00 0.00 37.83 38.68 2i2t s LYS 41 CO -0.01 -0.08 1.62 -0.22 -0.92 0.00 0.00 175.35 175.75 2i2t h LYS 42 N 5.62 0.16 0.00 1.68 1.63 -1.94 0.21 116.57 123.93 2i2t h LYS 42 Ca -0.28 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 2i2t h LYS 42 Cb 1.18 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2i2t h LYS 42 CO 0.22 0.11 -0.03 0.00 -3.45 0.00 0.00 179.45 176.30 2i2t h ALA 43 N 1.89 1.92 -0.20 5.00 0.00 -1.97 -3.10 119.26 122.80 2i2t h ALA 43 Ca 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2i2t h ALA 43 Cb 1.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2i2t h ALA 43 CO -0.71 0.04 0.00 0.00 0.00 0.00 0.00 179.25 178.58 2i2t n ALA 44 N -2.52 -0.42 0.36 0.00 0.00 0.72 -0.93 120.51 117.72 2i2t n ALA 44 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2i2t n ALA 44 Cb 0.11 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2i2t n ALA 44 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2i2t n VAL 45 N -1.99 0.00 -0.07 0.00 0.24 -1.22 -0.15 118.33 115.14 2i2t n VAL 45 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2i2t n VAL 45 Cb 0.00 -0.37 -0.08 0.00 -1.47 0.00 0.00 33.84 31.91 2i2t n VAL 45 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2i2t n LEU 46 N -0.41 1.63 -0.02 1.34 -0.00 -0.83 -4.38 117.00 114.33 2i2t n LEU 46 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 2i2t n LEU 46 Cb 0.00 -0.16 -0.13 0.00 -0.00 0.00 0.00 43.42 43.13 2i2t n LEU 46 CO 0.00 0.56 -0.68 1.33 -0.00 0.00 0.00 177.39 178.60 2i2t n VAL 47 N -2.74 0.91 0.07 1.96 0.24 -0.11 -3.92 118.33 114.75 2i2t n VAL 47 Ca -0.25 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.34 61.24 2i2t n VAL 47 Cb 0.85 -0.44 -0.07 0.00 -1.47 0.00 0.00 33.84 32.71 2i2t n VAL 47 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2i2t h LYS 48 N 0.00 -0.11 -0.46 7.34 3.64 -0.77 0.58 116.57 126.79 2i2t h LYS 48 Ca -0.23 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.22 2i2t h LYS 48 Cb 1.61 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.43 2i2t h LYS 48 CO 0.03 -0.07 0.31 0.87 -2.27 0.00 0.00 179.45 178.31 2i2t h LYS 49 N -0.12 0.35 -0.27 1.90 1.57 -1.76 0.24 116.57 118.48 2i2t h LYS 49 Ca 0.00 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2i2t h LYS 49 Cb 0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2i2t h LYS 49 CO -0.01 0.23 -0.11 0.28 -0.57 0.00 0.00 179.45 179.28 2i2t h VAL 50 N 0.36 1.29 0.14 0.50 2.07 -1.21 -3.30 116.25 116.11 2i2t h VAL 50 Ca 0.20 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2i2t h VAL 50 Cb 0.33 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2i2t h VAL 50 CO -0.05 0.37 -0.07 0.25 0.02 0.00 0.00 177.57 178.10 2i2t h LEU 51 N 0.29 -0.16 -8.01 2.57 5.85 0.22 -3.19 115.31 112.89 2i2t h LEU 51 Ca 0.06 0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.47 2i2t h LEU 51 Cb 0.61 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 2i2t h LEU 51 CO 0.04 -0.11 1.00 -1.83 -0.34 0.00 0.00 178.44 177.20 2i2t s GLU 52 N -3.35 2.45 0.00 1.25 -1.05 0.62 0.92 118.70 119.55 2i2t s GLU 52 Ca -0.03 -1.05 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 2i2t s GLU 52 Cb 0.00 -5.22 0.00 0.00 -0.44 0.00 0.00 34.13 28.48 2i2t s GLU 52 CO 0.08 -3.98 0.00 0.45 0.95 0.00 0.00 175.26 172.76 2i2t n SER 53 N 14.53 0.00 -0.09 0.83 2.88 -1.24 -4.74 113.62 125.79 2i2t n SER 53 Ca 0.44 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.89 2i2t n SER 53 Cb 0.47 0.08 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 2i2t n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i2t h ALA 54 N 0.00 0.39 0.56 -1.46 0.00 0.56 0.83 119.26 120.14 2i2t h ALA 54 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2i2t h ALA 54 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2i2t h ALA 54 CO 0.00 -0.11 -0.27 0.82 0.00 0.00 0.00 179.25 179.69 2i2t h ILE 55 N 0.40 0.45 0.00 0.00 5.03 -1.83 0.87 117.51 122.43 2i2t h ILE 55 Ca 0.11 -0.03 0.00 0.00 -0.12 0.00 0.00 64.86 64.82 2i2t h ILE 55 Cb 0.01 0.46 0.00 0.00 -3.03 0.00 0.00 36.82 34.26 2i2t h ILE 55 CO -0.02 0.01 0.02 0.00 -0.68 0.00 0.00 178.15 177.47 2i2t n ALA 56 N -2.42 1.03 -0.07 1.87 0.00 -0.88 -0.05 120.51 119.99 2i2t n ALA 56 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 2i2t n ALA 56 Cb 0.31 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 2i2t n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i2t n ASN 57 N -1.41 0.69 0.00 0.00 5.03 0.28 -3.45 115.26 116.41 2i2t n ASN 57 Ca 0.00 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.58 2i2t n ASN 57 Cb 0.02 1.12 0.64 0.00 -1.02 0.00 0.00 39.78 40.54 2i2t n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2i2t n ALA 58 N -2.54 2.32 -1.31 5.41 0.00 0.28 -3.55 120.51 121.11 2i2t n ALA 58 Ca -0.23 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2i2t n ALA 58 Cb 0.95 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2i2t n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i2t n GLU 59 N -1.40 0.00 -0.86 0.00 -0.58 -0.53 -1.91 120.64 115.36 2i2t n GLU 59 Ca 0.10 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.56 2i2t n GLU 59 Cb 0.27 -0.04 -0.03 0.00 -0.57 0.00 0.00 31.44 31.07 2i2t n GLU 59 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2i2t n HIS 60 N -0.87 1.54 0.00 -0.32 -0.00 -1.22 -4.49 115.22 109.86 2i2t n HIS 60 Ca 0.00 -1.97 0.00 0.00 0.46 0.00 0.00 57.72 56.21 2i2t n HIS 60 Cb 0.00 -1.71 0.00 0.00 -0.12 0.00 0.00 29.99 28.16 2i2t n HIS 60 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2i2t n ASN 61 N 4.95 0.00 -4.59 0.26 5.03 -1.24 -4.86 115.26 114.81 2i2t n ASN 61 Ca 0.46 0.00 -0.53 0.00 0.87 0.00 0.00 54.58 55.39 2i2t n ASN 61 Cb 0.20 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.89 2i2t n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2i2t n ASP 62 N 0.00 2.53 0.00 6.41 8.00 -1.23 -4.72 116.55 127.54 2i2t n ASP 62 Ca 0.00 0.78 0.00 0.00 0.71 0.00 0.00 54.79 56.28 2i2t n ASP 62 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 39.86 2i2t n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i2t n GLY 63 N 5.23 0.74 0.00 0.44 0.00 -1.26 -4.22 105.19 106.12 2i2t n GLY 63 Ca 0.32 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2i2t n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2t n ALA 64 N 2.39 0.00 -2.22 4.61 0.00 -0.80 -4.00 120.51 120.49 2i2t n ALA 64 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2i2t n ALA 64 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2i2t n ALA 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2i2t n ASP 65 N -0.10 -2.99 -0.02 0.00 2.03 -1.26 -4.94 116.55 109.28 2i2t n ASP 65 Ca 0.00 0.88 -0.08 0.00 0.52 0.00 0.00 54.79 56.10 2i2t n ASP 65 Cb 0.00 -3.72 0.08 0.00 -0.72 0.00 0.00 41.12 36.77 2i2t n ASP 65 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2i2t h ILE 66 N 2.30 1.30 0.00 5.18 -2.65 -1.94 -3.35 117.51 118.35 2i2t h ILE 66 Ca -0.21 -1.61 0.00 0.00 1.03 0.00 0.00 64.86 64.07 2i2t h ILE 66 Cb 0.47 1.57 0.00 0.00 -2.05 0.00 0.00 36.82 36.81 2i2t h ILE 66 CO 0.03 0.51 0.25 -0.67 0.03 0.00 0.00 178.15 178.30 2i2t n ASP 67 N -4.02 0.00 -2.28 2.16 -0.08 -1.26 -0.67 116.55 110.40 2i2t n ASP 67 Ca -0.02 0.13 -0.05 0.00 -1.51 0.00 0.00 54.79 53.34 2i2t n ASP 67 Cb 0.53 -0.13 0.05 0.00 2.34 0.00 0.00 41.12 43.91 2i2t n ASP 67 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2i2t n ASP 68 N -1.06 2.36 -4.59 1.67 5.68 -1.26 -5.03 116.55 114.33 2i2t n ASP 68 Ca 0.00 -2.59 -0.34 0.00 -0.50 0.00 0.00 54.79 51.36 2i2t n ASP 68 Cb 0.25 -0.42 -0.11 0.00 -1.14 0.00 0.00 41.12 39.70 2i2t n ASP 68 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2i2t s LEU 69 N -3.17 3.60 0.04 -2.12 1.02 0.15 -4.66 118.68 113.55 2i2t s LEU 69 Ca 0.35 0.01 0.07 0.00 0.02 0.00 0.00 54.13 54.58 2i2t s LEU 69 Cb 0.36 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.64 2i2t s LEU 69 CO -0.04 0.18 -0.19 -0.54 0.02 0.00 0.00 176.35 175.78 2i2t s LYS 70 N 0.29 2.05 -1.24 1.70 1.02 -1.12 -2.05 119.74 120.39 2i2t s LYS 70 Ca 0.01 -0.99 -0.16 0.00 0.02 0.00 0.00 55.97 54.86 2i2t s LYS 70 Cb -0.13 -2.17 0.13 0.00 -0.52 0.00 0.00 37.83 35.14 2i2t s LYS 70 CO 0.01 0.54 1.56 0.54 -0.92 0.00 0.00 175.35 177.08 2i2t s VAL 71 N -0.90 4.65 0.00 3.17 0.11 0.61 -0.63 120.40 127.41 2i2t s VAL 71 Ca 0.14 -2.33 0.00 0.00 -2.93 0.00 0.00 61.98 56.86 2i2t s VAL 71 Cb -0.10 -5.03 0.00 0.00 -1.53 0.00 0.00 36.38 29.72 2i2t s VAL 71 CO 0.05 -1.79 0.80 0.35 -3.33 0.00 0.00 175.10 171.18 2i2t n THR 72 N 5.36 0.00 -4.64 5.04 -2.24 -0.56 -0.09 114.28 117.15 2i2t n THR 72 Ca 0.42 1.30 -0.33 0.00 -2.27 0.00 0.00 64.05 63.16 2i2t n THR 72 Cb 0.44 -1.94 -0.13 0.00 -2.10 0.00 0.00 70.33 66.61 2i2t n THR 72 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2i2t s LYS 73 N -2.20 3.28 -0.05 -0.78 -0.14 -0.99 -4.07 119.74 114.78 2i2t s LYS 73 Ca 0.00 -0.60 -0.03 0.00 -1.36 0.00 0.00 55.97 53.98 2i2t s LYS 73 Cb 0.00 -2.69 0.03 0.00 -1.68 0.00 0.00 37.83 33.49 2i2t s LYS 73 CO 0.00 0.35 0.13 -1.50 -0.76 0.00 0.00 175.35 173.57 2i2t s ILE 74 N 0.03 -0.03 0.00 2.17 1.10 -1.26 -0.43 121.20 122.77 2i2t s ILE 74 Ca -0.02 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.24 2i2t s ILE 74 Cb -0.14 -0.21 0.00 0.00 0.15 0.00 0.00 42.46 42.27 2i2t s ILE 74 CO 0.03 0.05 0.00 2.22 -2.11 0.00 0.00 174.94 175.14 2i2t n PHE 75 N 3.83 0.00 0.00 3.50 -1.74 -1.00 -4.96 117.46 117.09 2i2t n PHE 75 Ca -0.22 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.67 2i2t n PHE 75 Cb 0.54 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.54 2i2t n PHE 75 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 2i2t n VAL 76 N 0.00 0.00 -4.51 1.97 3.14 -1.26 -3.75 118.33 113.93 2i2t n VAL 76 Ca 0.00 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.08 2i2t n VAL 76 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2i2t n VAL 76 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2i2t s ASP 77 N 0.00 3.48 -0.03 6.55 -0.00 -1.06 -4.89 116.67 120.73 2i2t s ASP 77 Ca 0.00 -0.63 -0.34 0.00 -0.00 0.00 0.00 52.55 51.58 2i2t s ASP 77 Cb 0.00 -0.36 -0.12 0.00 -0.00 0.00 0.00 42.92 42.44 2i2t s ASP 77 CO 0.00 0.21 1.79 -0.62 -0.00 0.00 0.00 175.17 176.55 2i2t n GLU 78 N 1.14 2.13 -3.02 8.23 1.02 -1.26 -1.43 120.64 127.45 2i2t n GLU 78 Ca -0.17 0.78 -0.17 0.00 -0.02 0.00 0.00 57.16 57.58 2i2t n GLU 78 Cb 0.53 -2.60 0.01 0.00 -0.02 0.00 0.00 31.44 29.36 2i2t n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2i2t s GLY 79 N 3.19 1.95 0.04 0.62 0.00 0.81 -4.85 107.32 109.08 2i2t s GLY 79 Ca 0.89 -1.69 -0.36 0.00 0.00 0.00 0.00 44.72 43.56 2i2t s GLY 79 CO 0.48 -1.50 1.50 -1.05 0.00 0.00 0.00 173.10 172.53 2i2t n PRO 80 N -1.86 1.48 -3.34 2.90 -0.02 -1.26 -4.12 135.00 128.78 2i2t n PRO 80 Ca 0.08 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 2i2t n PRO 80 Cb 0.59 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 2i2t n PRO 80 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2i2t s SER 81 N 1.31 6.75 -0.75 2.55 0.01 -1.26 -3.96 113.70 118.35 2i2t s SER 81 Ca 0.86 0.89 -0.26 0.00 1.31 0.00 0.00 55.95 58.75 2i2t s SER 81 Cb -0.88 -2.29 0.04 0.00 0.21 0.00 0.00 66.02 63.10 2i2t s SER 81 CO 0.48 0.08 1.23 -0.04 0.41 0.00 0.00 173.24 175.39 2i2t s MET 82 N 0.16 3.21 0.29 12.44 -1.94 0.31 -4.78 119.30 128.99 2i2t s MET 82 Ca 0.26 -0.46 -0.30 0.00 -1.71 0.00 0.00 55.69 53.48 2i2t s MET 82 Cb -0.16 -4.30 -0.11 0.00 2.01 0.00 0.00 34.83 32.27 2i2t s MET 82 CO 0.12 -2.08 1.62 0.15 -0.01 0.00 0.00 175.02 174.82 2i2t s LYS 83 N 5.27 4.11 0.00 2.03 -0.14 -1.26 -1.88 119.74 127.88 2i2t s LYS 83 Ca 0.33 2.60 0.00 0.00 -1.36 0.00 0.00 55.97 57.54 2i2t s LYS 83 Cb -0.09 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 2i2t s LYS 83 CO 0.12 -0.66 0.00 -2.13 -0.76 0.00 0.00 175.35 171.92 2i2t n ARG 84 N 2.36 0.00 -3.66 1.68 3.00 -0.95 -4.96 116.66 114.13 2i2t n ARG 84 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.86 2i2t n ARG 84 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.75 2i2t n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2i2t s ILE 85 N -1.28 -0.09 -0.18 5.15 1.01 -1.25 -4.44 121.20 120.12 2i2t s ILE 85 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 2i2t s ILE 85 Cb 0.00 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2i2t s ILE 85 CO 0.00 0.02 -0.13 -0.32 0.00 0.00 0.00 174.94 174.51 2i2t s MET 86 N 1.66 3.20 -0.65 2.79 -2.45 -0.42 -4.94 119.30 118.50 2i2t s MET 86 Ca -0.09 -0.73 -0.26 0.00 -1.25 0.00 0.00 55.69 53.36 2i2t s MET 86 Cb -0.07 -2.74 -0.07 0.00 1.25 0.00 0.00 34.83 33.20 2i2t s MET 86 CO -0.17 -0.13 2.22 -2.14 1.05 0.00 0.00 175.02 175.86 2i2t s PRO 87 N 1.18 2.16 0.00 4.11 0.02 -1.26 -2.46 135.00 138.74 2i2t s PRO 87 Ca 0.02 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.82 2i2t s PRO 87 Cb -0.14 -4.65 0.00 0.00 0.02 0.00 0.00 34.50 29.73 2i2t s PRO 87 CO -0.05 -3.45 0.00 -2.13 -0.33 0.00 0.00 177.00 171.03 2i2t n ARG 88 N 8.99 0.00 -3.87 5.54 3.00 -0.43 -5.02 116.66 124.86 2i2t n ARG 88 Ca 0.36 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 58.09 2i2t n ARG 88 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.83 2i2t n ARG 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2i2t s ALA 89 N -3.01 -0.03 -0.59 5.13 0.00 -1.24 -4.88 121.76 117.14 2i2t s ALA 89 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 2i2t s ALA 89 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2i2t s ALA 89 CO 0.00 -0.01 0.49 1.63 0.00 0.00 0.00 175.76 177.88 2i2t n LYS 90 N 3.07 -3.27 -0.39 0.00 5.02 -1.26 -3.24 118.16 118.08 2i2t n LYS 90 Ca -0.12 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2i2t n LYS 90 Cb 0.60 -4.14 0.00 0.00 -0.02 0.00 0.00 35.03 31.47 2i2t n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i2t n GLY 91 N -1.08 1.11 3.77 0.72 0.00 -1.26 -4.98 105.19 103.48 2i2t n GLY 91 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 2i2t n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i2t s ARG 92 N -0.22 4.69 0.23 1.61 0.52 -1.20 -4.99 118.95 119.59 2i2t s ARG 92 Ca 0.00 1.39 0.08 0.00 -0.52 0.00 0.00 55.73 56.68 2i2t s ARG 92 Cb 0.00 -2.99 -0.05 0.00 0.52 0.00 0.00 34.95 32.43 2i2t s ARG 92 CO 0.00 0.37 -0.13 0.00 0.02 0.00 0.00 175.30 175.56 2i2t s ALA 93 N -1.45 2.14 -0.00 2.13 0.00 -1.26 -1.32 121.76 122.00 2i2t s ALA 93 Ca 0.47 -1.73 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 2i2t s ALA 93 Cb -0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 2i2t s ALA 93 CO 0.27 0.05 0.02 -0.51 0.00 0.00 0.00 175.76 175.59 2i2t s ASP 94 N -3.36 0.04 0.28 0.00 1.01 -1.03 -4.88 116.67 108.73 2i2t s ASP 94 Ca 0.25 -0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.44 2i2t s ASP 94 Cb -0.00 0.07 0.69 0.00 1.01 0.00 0.00 42.92 44.70 2i2t s ASP 94 CO 0.08 -0.09 1.66 -0.09 0.21 0.00 0.00 175.17 176.94 2i2t h ARG 95 N 5.69 0.23 -5.57 8.23 9.65 -1.91 -1.10 114.38 129.60 2i2t h ARG 95 Ca -0.26 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 2i2t h ARG 95 Cb 1.21 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 2i2t h ARG 95 CO 0.47 0.15 0.00 1.51 2.80 0.00 0.00 179.97 184.90 2i2t n ILE 96 N -5.19 -0.77 -3.75 1.20 0.13 -1.26 -2.66 119.36 107.06 2i2t n ILE 96 Ca 0.21 0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.50 2i2t n ILE 96 Cb 0.66 -2.23 -0.07 0.00 -0.84 0.00 0.00 39.64 37.16 2i2t n ILE 96 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2i2t s LEU 97 N 0.00 4.29 -0.87 9.51 2.01 -1.26 -2.24 118.68 130.12 2i2t s LEU 97 Ca 0.00 0.39 -0.10 0.00 0.01 0.00 0.00 54.13 54.43 2i2t s LEU 97 Cb 0.00 -2.14 0.22 0.00 0.01 0.00 0.00 46.19 44.28 2i2t s LEU 97 CO 0.00 0.26 0.80 -0.54 1.01 0.00 0.00 176.35 177.88 2i2t s LYS 98 N -0.22 3.55 0.67 1.70 1.02 -0.79 -4.90 119.74 120.78 2i2t s LYS 98 Ca 0.12 -2.75 -0.17 0.00 0.02 0.00 0.00 55.97 53.20 2i2t s LYS 98 Cb -0.12 -4.30 0.00 0.00 -0.52 0.00 0.00 37.83 32.90 2i2t s LYS 98 CO 0.02 -1.26 1.25 1.03 -0.92 0.00 0.00 175.35 175.47 2i2t s ARG 99 N -0.38 2.46 0.14 1.68 1.81 -1.26 -0.53 118.95 122.87 2i2t s ARG 99 Ca 0.22 1.91 -0.06 0.00 -1.72 0.00 0.00 55.73 56.08 2i2t s ARG 99 Cb -0.11 -1.85 -0.02 0.00 -0.45 0.00 0.00 34.95 32.51 2i2t s ARG 99 CO -0.08 -1.63 0.18 0.95 -0.68 0.00 0.00 175.30 174.04 2i2t s THR 100 N -1.65 0.09 0.17 0.02 -4.23 -1.25 -4.00 115.64 104.79 2i2t s THR 100 Ca 0.79 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 59.69 2i2t s THR 100 Cb -0.33 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 2i2t s THR 100 CO 0.41 -0.43 0.16 -0.94 -0.54 0.00 0.00 174.62 173.28 2i2t s SER 101 N -2.98 0.17 -0.47 3.99 1.04 -0.46 -0.13 113.70 114.85 2i2t s SER 101 Ca 0.18 -1.18 0.04 0.00 0.48 0.00 0.00 55.95 55.46 2i2t s SER 101 Cb 0.05 0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.67 2i2t s SER 101 CO -0.01 -0.83 0.21 -1.00 0.98 0.00 0.00 173.24 172.58 2i2t s HIS 102 N -4.07 3.37 0.06 5.02 3.76 -0.51 0.73 115.29 123.65 2i2t s HIS 102 Ca 0.28 -3.10 -0.31 0.00 -0.15 0.00 0.00 55.06 51.78 2i2t s HIS 102 Cb 0.06 -2.88 -0.05 0.00 1.11 0.00 0.00 32.58 30.82 2i2t s HIS 102 CO 0.06 -0.81 1.18 0.42 -0.85 0.00 0.00 174.74 174.73 2i2t s ILE 103 N 0.08 4.10 -0.11 0.60 1.01 0.30 -2.55 121.20 124.63 2i2t s ILE 103 Ca 0.15 1.51 -0.01 0.00 0.00 0.00 0.00 60.65 62.31 2i2t s ILE 103 Cb -0.24 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.29 2i2t s ILE 103 CO -0.03 0.12 -0.04 -0.89 0.00 0.00 0.00 174.94 174.10 2i2t s THR 104 N 1.03 0.81 -0.09 2.92 2.01 -1.25 0.13 115.64 121.20 2i2t s THR 104 Ca 0.58 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 2i2t s THR 104 Cb -0.29 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 2i2t s THR 104 CO 0.29 0.28 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.80 2i2t s VAL 105 N 1.79 4.18 -0.36 3.82 1.01 0.14 -2.39 120.40 128.59 2i2t s VAL 105 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 2i2t s VAL 105 Cb -0.13 -2.75 0.12 0.00 0.00 0.00 0.00 36.38 33.62 2i2t s VAL 105 CO -0.07 0.60 0.18 -0.69 0.00 0.00 0.00 175.10 175.11 2i2t s VAL 106 N -0.79 0.71 0.13 2.92 1.01 0.42 -1.23 120.40 123.57 2i2t s VAL 106 Ca 0.12 -1.76 -0.12 0.00 0.00 0.00 0.00 61.98 60.23 2i2t s VAL 106 Cb -0.11 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 2i2t s VAL 106 CO 0.02 -0.84 0.49 0.54 0.00 0.00 0.00 175.10 175.31 2i2t s VAL 107 N 1.14 4.97 0.00 2.92 0.11 -1.25 -1.50 120.40 126.78 2i2t s VAL 107 Ca 0.14 0.61 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 2i2t s VAL 107 Cb -0.21 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 2i2t s VAL 107 CO -0.11 0.21 0.00 -1.20 -3.33 0.00 0.00 175.10 170.66 2i2t n SER 108 N 0.68 0.00 -0.01 3.54 7.64 0.20 -4.35 113.62 121.32 2i2t n SER 108 Ca -0.05 -0.21 -0.04 0.00 1.01 0.00 0.00 58.87 59.58 2i2t n SER 108 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 2i2t n SER 108 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2i2t n ASP 109 N -0.54 1.31 -0.87 6.43 9.92 -1.25 -2.80 116.55 128.75 2i2t n ASP 109 Ca 0.00 0.19 0.11 0.00 -0.53 0.00 0.00 54.79 54.56 2i2t n ASP 109 Cb 0.00 -0.45 0.09 0.00 -0.64 0.00 0.00 41.12 40.12 2i2t n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19