#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2v n GLU 2 N 0.00 0.62 -2.05 0.03 -0.58 -1.26 -3.88 120.64 113.52 2i2v n GLU 2 Ca 0.00 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 2i2v n GLU 2 Cb 0.00 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 2i2v n GLU 2 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2i2v n THR 3 N -3.84 -1.04 -2.64 2.62 5.66 -1.26 -4.02 114.28 109.77 2i2v n THR 3 Ca -0.50 0.22 -0.02 0.00 -3.05 0.00 0.00 64.05 60.69 2i2v n THR 3 Cb 0.93 -1.72 0.01 0.00 -1.55 0.00 0.00 70.33 67.99 2i2v n THR 3 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 2i2v n ILE 4 N 1.24 0.00 -3.63 1.09 -6.64 -1.26 -3.92 119.36 106.24 2i2v n ILE 4 Ca 0.00 -0.20 -0.02 0.00 -1.77 0.00 0.00 62.75 60.77 2i2v n ILE 4 Cb 0.22 -1.14 -0.06 0.00 -1.44 0.00 0.00 39.64 37.21 2i2v n ILE 4 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2i2v s ALA 5 N -2.45 -2.34 0.04 -1.28 0.00 -0.35 -4.66 121.76 110.71 2i2v s ALA 5 Ca 0.07 2.18 0.02 0.00 0.00 0.00 0.00 51.96 54.23 2i2v s ALA 5 Cb -0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 2i2v s ALA 5 CO 0.05 -0.39 -0.08 -1.59 0.00 0.00 0.00 175.76 173.75 2i2v s LYS 6 N 1.39 0.52 -0.27 0.00 -2.85 -1.26 0.28 119.74 117.55 2i2v s LYS 6 Ca -0.09 -0.74 0.02 0.00 -1.00 0.00 0.00 55.97 54.17 2i2v s LYS 6 Cb -0.04 -0.29 0.07 0.00 -2.06 0.00 0.00 37.83 35.51 2i2v s LYS 6 CO -0.15 0.05 -0.04 -1.58 0.10 0.00 0.00 175.35 173.74 2i2v s HIS 7 N -1.33 2.94 0.32 1.78 2.46 0.35 -4.98 115.29 116.82 2i2v s HIS 7 Ca -0.10 -2.23 -0.03 0.00 0.47 0.00 0.00 55.06 53.18 2i2v s HIS 7 Cb -0.10 -2.01 -0.04 0.00 -0.13 0.00 0.00 32.58 30.30 2i2v s HIS 7 CO 0.00 -0.86 0.56 1.03 -2.47 0.00 0.00 174.74 173.00 2i2v s ARG 8 N 1.20 3.57 -1.46 2.88 0.52 -1.26 -0.53 118.95 123.88 2i2v s ARG 8 Ca -0.02 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 2i2v s ARG 8 Cb -0.19 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.63 2i2v s ARG 8 CO -0.08 0.17 0.00 0.72 0.02 0.00 0.00 175.30 176.14 2i2v n HIS 9 N -1.31 -0.77 -1.59 -0.53 8.25 -0.94 -4.89 115.22 113.44 2i2v n HIS 9 Ca -0.03 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.99 2i2v n HIS 9 Cb 0.55 -3.38 -0.04 0.00 1.12 0.00 0.00 29.99 28.24 2i2v n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i2v n ALA 10 N -1.69 1.56 -0.60 -1.41 0.00 0.21 -4.72 120.51 113.86 2i2v n ALA 10 Ca -0.20 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 52.94 2i2v n ALA 10 Cb 0.65 -2.79 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 2i2v n ALA 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i2v n ARG 11 N 8.29 1.50 0.00 0.00 5.12 -1.26 -1.36 116.66 128.94 2i2v n ARG 11 Ca 0.30 -1.26 0.00 0.00 -1.93 0.00 0.00 57.85 54.95 2i2v n ARG 11 Cb 0.39 -2.39 0.00 0.00 -1.16 0.00 0.00 32.46 29.30 2i2v n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2i2v n SER 12 N 4.83 0.00 0.00 0.55 2.88 -1.26 -5.02 113.62 115.60 2i2v n SER 12 Ca 0.35 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2i2v n SER 12 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2i2v n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2i2v n SER 13 N -0.22 0.00 0.00 -3.46 3.41 -1.26 -4.57 113.62 107.52 2i2v n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2i2v n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2i2v n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i2v n ALA 14 N 0.00 0.00 0.32 7.33 0.00 -1.26 -3.19 120.51 123.71 2i2v n ALA 14 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2i2v n ALA 14 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.07 2i2v n ALA 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2i2v h GLN 15 N 0.00 0.00 -0.00 0.00 3.07 -1.98 0.98 115.11 117.18 2i2v h GLN 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2i2v h GLN 15 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2i2v h GLN 15 CO 0.00 0.00 -0.30 1.63 0.09 0.00 0.00 178.83 180.25 2i2v n LYS 16 N -2.50 0.43 -0.06 0.06 5.02 -1.26 -3.72 118.16 116.12 2i2v n LYS 16 Ca 0.01 -0.22 -0.11 0.00 -2.02 0.00 0.00 58.31 55.97 2i2v n LYS 16 Cb 0.19 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 2i2v n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2i2v n VAL 17 N -1.10 1.23 -0.07 -0.18 0.31 0.63 -4.46 118.33 114.70 2i2v n VAL 17 Ca 0.10 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2i2v n VAL 17 Cb 0.33 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 2i2v n VAL 17 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2i2v n ARG 18 N -3.98 0.51 0.00 5.55 1.85 0.31 -0.44 116.66 120.46 2i2v n ARG 18 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.66 2i2v n ARG 18 Cb 0.49 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.66 2i2v n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2i2v n LEU 19 N 1.51 2.31 -0.06 2.89 7.94 -1.24 -4.38 117.00 125.96 2i2v n LEU 19 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 2i2v n LEU 19 Cb 0.26 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.06 2i2v n LEU 19 CO 0.00 0.38 -0.87 0.55 -1.11 0.00 0.00 177.39 176.35 2i2v n VAL 20 N -2.33 1.54 0.07 1.96 3.14 0.42 -4.08 118.33 119.05 2i2v n VAL 20 Ca 0.00 -0.78 -0.12 0.00 -2.96 0.00 0.00 64.34 60.48 2i2v n VAL 20 Cb 0.46 -0.95 -0.07 0.00 -1.06 0.00 0.00 33.84 32.22 2i2v n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i2v h ALA 21 N 0.79 -0.10 -0.22 1.55 0.00 -1.22 -1.25 119.26 118.80 2i2v h ALA 21 Ca -0.43 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.53 2i2v h ALA 21 Cb 2.09 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 2i2v h ALA 21 CO 0.05 -0.56 0.25 -0.44 0.00 0.00 0.00 179.25 178.55 2i2v h ASP 22 N -0.11 0.00 0.06 0.00 3.32 -1.76 0.64 116.42 118.57 2i2v h ASP 22 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2i2v h ASP 22 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2i2v h ASP 22 CO 0.00 0.00 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.39 2i2v h LEU 23 N 0.00 0.01 0.00 1.55 3.38 -1.37 -3.36 115.31 115.52 2i2v h LEU 23 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2i2v h LEU 23 Cb 0.61 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2i2v h LEU 23 CO -0.00 0.08 0.00 -0.38 0.09 0.00 0.00 178.44 178.23 2i2v n ILE 24 N -4.46 0.00 -0.69 1.22 5.41 0.21 -4.94 119.36 116.12 2i2v n ILE 24 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 2i2v n ILE 24 Cb 0.15 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.78 2i2v n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2i2v n ARG 25 N -0.45 -0.28 -0.18 0.38 0.63 -1.20 -2.74 116.66 112.82 2i2v n ARG 25 Ca 0.00 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 2i2v n ARG 25 Cb 0.00 -0.18 0.00 0.00 0.45 0.00 0.00 32.46 32.73 2i2v n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2i2v n GLY 26 N 1.37 2.29 2.55 5.14 0.00 0.57 -4.94 105.19 112.17 2i2v n GLY 26 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2i2v n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2v n LYS 27 N -2.00 3.82 0.00 1.61 5.02 -1.11 -4.59 118.16 120.92 2i2v n LYS 27 Ca 0.00 -2.94 0.00 0.00 -2.02 0.00 0.00 58.31 53.35 2i2v n LYS 27 Cb 0.00 -2.86 0.00 0.00 -0.02 0.00 0.00 35.03 32.15 2i2v n LYS 27 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2i2v n LYS 28 N 3.48 0.00 0.00 1.97 4.76 -1.26 -2.38 118.16 124.73 2i2v n LYS 28 Ca 0.61 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 2i2v n LYS 28 Cb 0.29 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 2i2v n LYS 28 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2i2v n VAL 29 N 0.00 0.00 0.22 -0.18 0.31 -0.84 -0.51 118.33 117.33 2i2v n VAL 29 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 2i2v n VAL 29 Cb 0.00 0.00 0.41 0.00 -0.91 0.00 0.00 33.84 33.34 2i2v n VAL 29 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2i2v h SER 30 N 0.00 0.00 0.00 4.52 4.64 -1.86 -3.25 113.55 117.60 2i2v h SER 30 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2i2v h SER 30 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2i2v h SER 30 CO 0.00 0.23 -1.68 1.67 -0.87 0.00 0.00 176.83 176.18 2i2v n GLN 31 N -3.35 0.55 -0.61 4.77 0.00 -1.26 -4.36 117.38 113.12 2i2v n GLN 31 Ca 0.00 0.31 -0.26 0.00 -0.00 0.00 0.00 57.00 57.06 2i2v n GLN 31 Cb 0.46 -1.52 -0.04 0.00 0.00 0.00 0.00 30.24 29.14 2i2v n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2i2v n ALA 32 N -4.16 2.75 -0.07 1.69 0.00 -1.00 0.93 120.51 120.64 2i2v n ALA 32 Ca -0.34 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.17 2i2v n ALA 32 Cb 0.68 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.97 2i2v n ALA 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2i2v n LEU 33 N 6.04 0.00 -0.10 0.00 0.00 -1.24 -4.59 117.00 117.12 2i2v n LEU 33 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 56.01 56.13 2i2v n LEU 33 Cb 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.52 2i2v n LEU 33 CO 0.82 0.00 -0.62 0.47 0.00 0.00 0.00 177.39 178.06 2i2v n ASP 34 N 0.00 1.89 -0.21 1.96 10.43 0.27 -3.34 116.55 127.55 2i2v n ASP 34 Ca 0.00 0.39 0.01 0.00 2.57 0.00 0.00 54.79 57.76 2i2v n ASP 34 Cb 0.00 -0.95 0.10 0.00 1.84 0.00 0.00 41.12 42.11 2i2v n ASP 34 CO 0.00 0.00 0.00 0.16 -1.07 0.00 0.00 177.20 176.29 2i2v h ILE 35 N -0.90 0.44 -0.79 0.53 -2.65 -1.91 0.52 117.51 112.75 2i2v h ILE 35 Ca -0.38 -0.03 0.13 0.00 1.03 0.00 0.00 64.86 65.61 2i2v h ILE 35 Cb 1.39 0.35 -0.09 0.00 -2.05 0.00 0.00 36.82 36.43 2i2v h ILE 35 CO -0.20 0.01 0.38 -0.07 0.03 0.00 0.00 178.15 178.30 2i2v h LEU 36 N 0.08 0.44 0.00 0.16 -0.00 -1.86 0.92 115.31 115.05 2i2v h LEU 36 Ca 0.33 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 2i2v h LEU 36 Cb 0.53 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2i2v h LEU 36 CO -0.58 0.20 0.00 0.35 -0.00 0.00 0.00 178.44 178.41 2i2v n THR 37 N -4.91 0.00 -1.38 0.22 -2.24 0.17 -2.57 114.28 103.58 2i2v n THR 37 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2i2v n THR 37 Cb 0.38 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 2i2v n THR 37 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2i2v n TYR 38 N -0.60 0.00 -3.68 4.78 4.02 0.17 -5.01 117.16 116.84 2i2v n TYR 38 Ca 0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.54 2i2v n TYR 38 Cb 0.02 0.03 -0.11 0.00 -0.02 0.00 0.00 39.34 39.25 2i2v n TYR 38 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2i2v s THR 39 N 0.00 4.03 -1.28 -0.72 -4.23 0.26 -5.01 115.64 108.69 2i2v s THR 39 Ca 0.00 -1.21 -0.17 0.00 -1.18 0.00 0.00 61.69 59.13 2i2v s THR 39 Cb 0.00 -3.35 -0.00 0.00 1.34 0.00 0.00 72.50 70.49 2i2v s THR 39 CO 0.00 -0.31 2.06 -0.46 -0.54 0.00 0.00 174.62 175.36 2i2v n ASN 40 N 4.86 3.76 -3.71 3.99 0.23 -1.26 -4.78 115.26 118.35 2i2v n ASN 40 Ca -0.11 -2.82 -0.13 0.00 -0.53 0.00 0.00 54.58 51.00 2i2v n ASN 40 Cb 0.44 -1.57 -0.10 0.00 -2.08 0.00 0.00 39.78 36.47 2i2v n ASN 40 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2i2v s LYS 41 N 3.95 0.52 0.34 -3.83 1.02 -1.26 -5.06 119.74 115.42 2i2v s LYS 41 Ca 0.52 0.69 0.13 0.00 0.02 0.00 0.00 55.97 57.32 2i2v s LYS 41 Cb 0.11 0.21 1.07 0.00 -0.52 0.00 0.00 37.83 38.70 2i2v s LYS 41 CO -0.00 -0.08 1.62 -0.22 -0.92 0.00 0.00 175.35 175.74 2i2v h LYS 42 N 5.76 0.14 0.00 1.68 1.63 -1.94 0.25 116.57 124.08 2i2v h LYS 42 Ca -0.29 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.49 2i2v h LYS 42 Cb 1.18 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2i2v h LYS 42 CO 0.23 0.09 -0.04 0.00 -3.45 0.00 0.00 179.45 176.27 2i2v h ALA 43 N 1.91 1.90 0.01 5.00 0.00 -1.97 -3.11 119.26 123.00 2i2v h ALA 43 Ca 0.73 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.60 2i2v h ALA 43 Cb 1.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 2i2v h ALA 43 CO -0.72 0.05 -0.01 0.00 0.00 0.00 0.00 179.25 178.57 2i2v h ALA 44 N 1.96 -0.90 0.00 0.00 0.00 -0.80 -0.21 119.26 119.31 2i2v h ALA 44 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i2v h ALA 44 Cb 0.08 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2i2v h ALA 44 CO 0.01 -0.90 0.00 1.33 0.00 0.00 0.00 179.25 179.69 2i2v n VAL 45 N -2.15 0.00 -0.07 0.00 0.24 -1.22 -0.19 118.33 114.94 2i2v n VAL 45 Ca -0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2i2v n VAL 45 Cb 0.01 -0.35 -0.08 0.00 -1.47 0.00 0.00 33.84 31.95 2i2v n VAL 45 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2i2v n LEU 46 N -0.36 1.87 -0.01 1.34 -0.00 -0.80 -4.39 117.00 114.64 2i2v n LEU 46 Ca 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 56.01 55.97 2i2v n LEU 46 Cb 0.01 -0.23 -0.12 0.00 -0.00 0.00 0.00 43.42 43.08 2i2v n LEU 46 CO 0.00 0.59 -0.62 1.33 -0.00 0.00 0.00 177.39 178.69 2i2v n VAL 47 N -2.77 0.90 0.09 1.96 0.24 -0.15 -3.89 118.33 114.70 2i2v n VAL 47 Ca -0.25 -0.68 -0.13 0.00 -2.04 0.00 0.00 64.34 61.25 2i2v n VAL 47 Cb 0.83 -0.45 -0.07 0.00 -1.47 0.00 0.00 33.84 32.68 2i2v n VAL 47 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2i2v h LYS 48 N 0.00 -0.15 -0.43 7.34 3.64 -0.80 0.60 116.57 126.76 2i2v h LYS 48 Ca -0.21 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2i2v h LYS 48 Cb 1.57 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.40 2i2v h LYS 48 CO 0.03 -0.10 0.29 0.87 -2.27 0.00 0.00 179.45 178.27 2i2v h LYS 49 N -0.16 0.32 -0.26 1.90 1.57 -1.77 0.23 116.57 118.41 2i2v h LYS 49 Ca -0.01 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2i2v h LYS 49 Cb 0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2i2v h LYS 49 CO 0.01 0.21 -0.10 0.28 -0.57 0.00 0.00 179.45 179.28 2i2v h VAL 50 N 0.33 1.29 0.14 0.50 2.07 -1.23 -3.30 116.25 116.05 2i2v h VAL 50 Ca 0.19 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2i2v h VAL 50 Cb 0.33 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2i2v h VAL 50 CO -0.04 0.36 -0.07 0.25 0.02 0.00 0.00 177.57 178.10 2i2v h LEU 51 N 0.25 -0.16 -8.00 2.57 5.85 0.23 -3.18 115.31 112.88 2i2v h LEU 51 Ca 0.06 0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.46 2i2v h LEU 51 Cb 0.60 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2i2v h LEU 51 CO 0.03 -0.11 1.02 -1.83 -0.34 0.00 0.00 178.44 177.22 2i2v s GLU 52 N -3.37 2.47 0.00 1.25 -1.05 0.58 0.11 118.70 118.68 2i2v s GLU 52 Ca -0.03 -1.09 0.00 0.00 -0.15 0.00 0.00 54.97 53.70 2i2v s GLU 52 Cb 0.00 -5.23 0.00 0.00 -0.44 0.00 0.00 34.13 28.47 2i2v s GLU 52 CO 0.08 -3.98 0.00 0.45 0.95 0.00 0.00 175.26 172.76 2i2v n SER 53 N 14.49 0.00 -0.10 0.83 2.88 -1.24 -4.74 113.62 125.73 2i2v n SER 53 Ca 0.44 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.89 2i2v n SER 53 Cb 0.47 0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 2i2v n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i2v h ALA 54 N 0.00 0.42 0.49 -1.46 0.00 0.76 0.69 119.26 120.16 2i2v h ALA 54 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2i2v h ALA 54 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2i2v h ALA 54 CO 0.00 -0.03 -0.23 0.82 0.00 0.00 0.00 179.25 179.80 2i2v h ILE 55 N 0.40 0.52 0.00 0.00 5.03 -1.83 0.79 117.51 122.42 2i2v h ILE 55 Ca 0.11 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 64.75 2i2v h ILE 55 Cb 0.09 0.56 0.00 0.00 -3.03 0.00 0.00 36.82 34.45 2i2v h ILE 55 CO -0.02 0.02 0.01 0.00 -0.68 0.00 0.00 178.15 177.48 2i2v n ALA 56 N -2.41 1.07 -0.08 1.87 0.00 -0.94 -0.18 120.51 119.85 2i2v n ALA 56 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 2i2v n ALA 56 Cb 0.29 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 2i2v n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i2v n ASN 57 N -1.39 0.80 0.00 0.00 5.03 0.24 -3.50 115.26 116.44 2i2v n ASN 57 Ca 0.00 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.58 2i2v n ASN 57 Cb 0.01 1.01 0.62 0.00 -1.02 0.00 0.00 39.78 40.40 2i2v n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2i2v n ALA 58 N -2.58 2.27 -1.35 5.41 0.00 0.26 -3.54 120.51 120.97 2i2v n ALA 58 Ca -0.25 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2i2v n ALA 58 Cb 1.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2i2v n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i2v n GLU 59 N -1.39 0.00 -0.89 0.00 -0.58 -0.54 -1.87 120.64 115.36 2i2v n GLU 59 Ca 0.09 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.55 2i2v n GLU 59 Cb 0.26 -0.05 -0.03 0.00 -0.57 0.00 0.00 31.44 31.06 2i2v n GLU 59 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2i2v n HIS 60 N -0.79 1.58 0.00 -0.32 -0.00 -1.23 -4.49 115.22 109.98 2i2v n HIS 60 Ca 0.00 -1.97 0.00 0.00 0.46 0.00 0.00 57.72 56.21 2i2v n HIS 60 Cb 0.00 -1.72 0.00 0.00 -0.12 0.00 0.00 29.99 28.15 2i2v n HIS 60 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2i2v n ASN 61 N 5.12 0.00 -4.59 0.26 5.03 -1.24 -4.86 115.26 114.98 2i2v n ASN 61 Ca 0.47 0.00 -0.52 0.00 0.87 0.00 0.00 54.58 55.40 2i2v n ASN 61 Cb 0.21 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.91 2i2v n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2i2v n ASP 62 N 0.00 2.59 0.00 6.41 8.00 -1.23 -4.72 116.55 127.60 2i2v n ASP 62 Ca 0.00 0.76 0.00 0.00 0.71 0.00 0.00 54.79 56.26 2i2v n ASP 62 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 2i2v n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i2v n GLY 63 N 5.26 0.77 0.00 0.44 0.00 -1.26 -4.22 105.19 106.18 2i2v n GLY 63 Ca 0.32 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2i2v n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2v n ALA 64 N 2.57 0.00 -2.24 4.61 0.00 -0.78 -4.01 120.51 120.66 2i2v n ALA 64 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2i2v n ALA 64 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2i2v n ALA 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2i2v n ASP 65 N -0.07 -3.06 -0.03 0.00 2.03 -1.26 -4.94 116.55 109.22 2i2v n ASP 65 Ca 0.00 0.90 -0.09 0.00 0.52 0.00 0.00 54.79 56.12 2i2v n ASP 65 Cb 0.00 -3.80 0.07 0.00 -0.72 0.00 0.00 41.12 36.67 2i2v n ASP 65 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2i2v h ILE 66 N 2.36 1.30 0.00 5.18 -2.65 -1.94 -3.35 117.51 118.41 2i2v h ILE 66 Ca -0.21 -1.60 0.00 0.00 1.03 0.00 0.00 64.86 64.08 2i2v h ILE 66 Cb 0.48 1.54 0.00 0.00 -2.05 0.00 0.00 36.82 36.79 2i2v h ILE 66 CO 0.03 0.51 0.28 -0.67 0.03 0.00 0.00 178.15 178.33 2i2v n ASP 67 N -4.03 0.00 -2.36 2.16 -0.08 -1.26 -0.66 116.55 110.32 2i2v n ASP 67 Ca -0.02 0.14 -0.06 0.00 -1.51 0.00 0.00 54.79 53.33 2i2v n ASP 67 Cb 0.54 -0.14 0.05 0.00 2.34 0.00 0.00 41.12 43.90 2i2v n ASP 67 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2i2v n ASP 68 N -1.08 2.50 -4.58 1.67 5.68 -1.26 -5.02 116.55 114.46 2i2v n ASP 68 Ca 0.00 -2.61 -0.34 0.00 -0.50 0.00 0.00 54.79 51.33 2i2v n ASP 68 Cb 0.28 -0.42 -0.11 0.00 -1.14 0.00 0.00 41.12 39.72 2i2v n ASP 68 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2i2v s LEU 69 N -3.35 3.56 0.03 -2.12 1.02 0.16 -4.67 118.68 113.32 2i2v s LEU 69 Ca 0.35 -0.01 0.07 0.00 0.02 0.00 0.00 54.13 54.57 2i2v s LEU 69 Cb 0.36 -1.88 -0.03 0.00 0.02 0.00 0.00 46.19 44.66 2i2v s LEU 69 CO -0.03 0.18 -0.19 -0.54 0.02 0.00 0.00 176.35 175.79 2i2v s LYS 70 N 0.31 2.06 -1.25 1.70 1.02 -1.13 -1.99 119.74 120.47 2i2v s LYS 70 Ca 0.00 -0.98 -0.16 0.00 0.02 0.00 0.00 55.97 54.86 2i2v s LYS 70 Cb -0.13 -2.17 0.13 0.00 -0.52 0.00 0.00 37.83 35.14 2i2v s LYS 70 CO 0.01 0.54 1.57 0.54 -0.92 0.00 0.00 175.35 177.09 2i2v s VAL 71 N -0.89 4.65 0.00 3.17 0.11 0.34 -0.58 120.40 127.19 2i2v s VAL 71 Ca 0.14 -2.34 0.00 0.00 -2.93 0.00 0.00 61.98 56.85 2i2v s VAL 71 Cb -0.10 -5.03 0.00 0.00 -1.53 0.00 0.00 36.38 29.71 2i2v s VAL 71 CO 0.04 -1.80 0.81 0.35 -3.33 0.00 0.00 175.10 171.17 2i2v n THR 72 N 5.36 0.00 -4.68 5.04 -2.24 -0.54 -0.32 114.28 116.91 2i2v n THR 72 Ca 0.42 1.31 -0.33 0.00 -2.27 0.00 0.00 64.05 63.17 2i2v n THR 72 Cb 0.44 -1.92 -0.13 0.00 -2.10 0.00 0.00 70.33 66.62 2i2v n THR 72 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2i2v s LYS 73 N -2.22 3.26 -0.05 -0.78 -0.14 -0.98 -4.08 119.74 114.75 2i2v s LYS 73 Ca 0.00 -0.62 -0.02 0.00 -1.36 0.00 0.00 55.97 53.96 2i2v s LYS 73 Cb 0.00 -2.67 0.03 0.00 -1.68 0.00 0.00 37.83 33.51 2i2v s LYS 73 CO 0.00 0.33 0.10 -1.50 -0.76 0.00 0.00 175.35 173.53 2i2v s ILE 74 N 0.06 -0.04 0.00 2.17 1.10 -1.26 -0.46 121.20 122.77 2i2v s ILE 74 Ca -0.03 0.14 0.00 0.00 -0.51 0.00 0.00 60.65 60.25 2i2v s ILE 74 Cb -0.14 -0.17 0.00 0.00 0.15 0.00 0.00 42.46 42.29 2i2v s ILE 74 CO 0.04 0.06 0.00 2.22 -2.11 0.00 0.00 174.94 175.15 2i2v n PHE 75 N 3.90 0.00 0.00 3.50 -1.74 -1.00 -4.95 117.46 117.17 2i2v n PHE 75 Ca -0.23 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.66 2i2v n PHE 75 Cb 0.53 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.53 2i2v n PHE 75 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 2i2v n VAL 76 N 0.00 0.00 -4.55 1.97 3.14 -1.26 -3.72 118.33 113.91 2i2v n VAL 76 Ca 0.00 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.08 2i2v n VAL 76 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2i2v n VAL 76 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2i2v s ASP 77 N 0.00 3.54 -0.03 6.55 -0.00 -1.06 -4.89 116.67 120.77 2i2v s ASP 77 Ca 0.00 -0.59 -0.35 0.00 -0.00 0.00 0.00 52.55 51.61 2i2v s ASP 77 Cb 0.00 -0.41 -0.13 0.00 -0.00 0.00 0.00 42.92 42.38 2i2v s ASP 77 CO 0.00 0.21 1.76 -0.62 -0.00 0.00 0.00 175.17 176.52 2i2v n GLU 78 N 1.22 2.01 -3.08 8.23 1.02 -1.26 -1.45 120.64 127.33 2i2v n GLU 78 Ca -0.17 0.73 -0.18 0.00 -0.02 0.00 0.00 57.16 57.53 2i2v n GLU 78 Cb 0.52 -2.53 0.01 0.00 -0.02 0.00 0.00 31.44 29.42 2i2v n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2i2v s GLY 79 N 2.96 1.96 0.05 0.62 0.00 0.74 -4.84 107.32 108.82 2i2v s GLY 79 Ca 0.89 -1.72 -0.36 0.00 0.00 0.00 0.00 44.72 43.53 2i2v s GLY 79 CO 0.49 -1.53 1.49 -1.05 0.00 0.00 0.00 173.10 172.50 2i2v n PRO 80 N -1.83 1.48 -3.37 2.90 -0.02 -1.26 -4.12 135.00 128.78 2i2v n PRO 80 Ca 0.08 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 2i2v n PRO 80 Cb 0.59 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 2i2v n PRO 80 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2i2v s SER 81 N 1.22 6.72 -0.76 2.55 0.01 -1.26 -3.94 113.70 118.23 2i2v s SER 81 Ca 0.85 0.85 -0.25 0.00 1.31 0.00 0.00 55.95 58.71 2i2v s SER 81 Cb -0.88 -2.28 0.04 0.00 0.21 0.00 0.00 66.02 63.12 2i2v s SER 81 CO 0.47 0.10 1.22 -0.04 0.41 0.00 0.00 173.24 175.40 2i2v s MET 82 N 0.13 3.23 0.28 12.44 -1.94 0.43 -4.78 119.30 129.09 2i2v s MET 82 Ca 0.25 -0.53 -0.30 0.00 -1.71 0.00 0.00 55.69 53.40 2i2v s MET 82 Cb -0.16 -4.35 -0.12 0.00 2.01 0.00 0.00 34.83 32.22 2i2v s MET 82 CO 0.11 -2.07 1.62 1.63 -0.01 0.00 0.00 175.02 176.30 2i2v n LYS 83 N 8.85 2.73 -0.43 2.03 4.76 -1.26 -1.87 118.16 132.97 2i2v n LYS 83 Ca 0.06 0.97 0.00 0.00 -2.87 0.00 0.00 58.31 56.47 2i2v n LYS 83 Cb 0.48 -2.77 0.00 0.00 -1.84 0.00 0.00 35.03 30.90 2i2v n LYS 83 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2i2v n ARG 84 N 2.40 0.00 -3.67 1.97 3.00 -0.93 -4.96 116.66 114.48 2i2v n ARG 84 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.86 2i2v n ARG 84 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.74 2i2v n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2i2v s ILE 85 N -1.29 -0.02 -0.18 5.15 1.01 -1.25 -4.42 121.20 120.20 2i2v s ILE 85 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 2i2v s ILE 85 Cb 0.00 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.67 2i2v s ILE 85 CO 0.00 0.02 -0.15 -0.32 0.00 0.00 0.00 174.94 174.49 2i2v s MET 86 N 1.53 3.14 -0.65 2.79 -2.45 -0.38 -4.94 119.30 118.34 2i2v s MET 86 Ca -0.10 -0.76 -0.26 0.00 -1.25 0.00 0.00 55.69 53.32 2i2v s MET 86 Cb -0.07 -2.69 -0.07 0.00 1.25 0.00 0.00 34.83 33.25 2i2v s MET 86 CO -0.16 -0.14 2.22 -2.14 1.05 0.00 0.00 175.02 175.84 2i2v s PRO 87 N 1.20 2.15 0.00 4.11 0.02 -1.26 -2.44 135.00 138.78 2i2v s PRO 87 Ca 0.02 0.76 0.00 0.00 0.02 0.00 0.00 61.00 61.80 2i2v s PRO 87 Cb -0.14 -4.66 0.00 0.00 0.02 0.00 0.00 34.50 29.72 2i2v s PRO 87 CO -0.07 -3.46 0.00 -2.13 -0.33 0.00 0.00 177.00 171.01 2i2v n ARG 88 N 8.98 0.00 -3.86 5.54 3.00 -0.44 -5.02 116.66 124.87 2i2v n ARG 88 Ca 0.36 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 58.09 2i2v n ARG 88 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.82 2i2v n ARG 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2i2v s ALA 89 N -2.98 -0.05 -0.55 5.13 0.00 -1.24 -4.88 121.76 117.19 2i2v s ALA 89 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.03 2i2v s ALA 89 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2i2v s ALA 89 CO 0.00 -0.01 0.46 1.63 0.00 0.00 0.00 175.76 177.84 2i2v n LYS 90 N 3.11 -3.05 -0.38 0.00 5.02 -1.26 -3.29 118.16 118.31 2i2v n LYS 90 Ca -0.13 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2i2v n LYS 90 Cb 0.59 -4.02 0.00 0.00 -0.02 0.00 0.00 35.03 31.59 2i2v n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i2v n GLY 91 N -1.07 1.14 3.77 0.72 0.00 -1.26 -4.98 105.19 103.51 2i2v n GLY 91 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 2i2v n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i2v s ARG 92 N -0.21 4.72 0.26 1.61 0.52 -1.21 -4.98 118.95 119.65 2i2v s ARG 92 Ca 0.00 1.41 0.08 0.00 -0.52 0.00 0.00 55.73 56.70 2i2v s ARG 92 Cb 0.00 -3.03 -0.05 0.00 0.52 0.00 0.00 34.95 32.38 2i2v s ARG 92 CO 0.00 0.39 -0.11 0.00 0.02 0.00 0.00 175.30 175.60 2i2v s ALA 93 N -1.40 2.34 -0.02 2.13 0.00 -1.26 -1.32 121.76 122.23 2i2v s ALA 93 Ca 0.46 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 2i2v s ALA 93 Cb -0.22 0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2i2v s ALA 93 CO 0.28 0.04 0.06 -0.51 0.00 0.00 0.00 175.76 175.64 2i2v s ASP 94 N -3.42 -0.02 0.28 0.00 1.01 -1.02 -4.88 116.67 108.61 2i2v s ASP 94 Ca 0.27 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.56 2i2v s ASP 94 Cb 0.01 0.14 0.65 0.00 1.01 0.00 0.00 42.92 44.73 2i2v s ASP 94 CO 0.11 -0.09 1.65 -0.09 0.21 0.00 0.00 175.17 176.96 2i2v h ARG 95 N 5.69 0.20 -5.75 8.23 9.65 -1.91 -1.01 114.38 129.49 2i2v h ARG 95 Ca -0.26 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 2i2v h ARG 95 Cb 1.20 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.74 2i2v h ARG 95 CO 0.45 0.13 -0.03 1.51 2.80 0.00 0.00 179.97 184.83 2i2v n ILE 96 N -5.23 -1.08 -3.70 1.20 0.13 -1.26 -2.62 119.36 106.80 2i2v n ILE 96 Ca 0.20 0.06 -0.36 0.00 -1.10 0.00 0.00 62.75 61.55 2i2v n ILE 96 Cb 0.63 -2.41 -0.07 0.00 -0.84 0.00 0.00 39.64 36.95 2i2v n ILE 96 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2i2v s LEU 97 N -0.01 4.29 -0.89 9.51 2.01 -1.26 -2.19 118.68 130.14 2i2v s LEU 97 Ca -0.01 0.44 -0.10 0.00 0.01 0.00 0.00 54.13 54.48 2i2v s LEU 97 Cb 0.00 -2.21 0.23 0.00 0.01 0.00 0.00 46.19 44.22 2i2v s LEU 97 CO 0.01 0.24 0.82 -0.54 1.01 0.00 0.00 176.35 177.89 2i2v s LYS 98 N -0.13 3.60 0.69 1.70 1.02 -0.78 -4.90 119.74 120.94 2i2v s LYS 98 Ca 0.14 -2.78 -0.17 0.00 0.02 0.00 0.00 55.97 53.18 2i2v s LYS 98 Cb -0.12 -4.32 0.01 0.00 -0.52 0.00 0.00 37.83 32.88 2i2v s LYS 98 CO 0.03 -1.26 1.24 1.03 -0.92 0.00 0.00 175.35 175.47 2i2v s ARG 99 N -0.45 2.35 0.14 1.68 1.81 -1.26 -0.43 118.95 122.80 2i2v s ARG 99 Ca 0.23 1.90 -0.07 0.00 -1.72 0.00 0.00 55.73 56.07 2i2v s ARG 99 Cb -0.11 -1.84 -0.02 0.00 -0.45 0.00 0.00 34.95 32.53 2i2v s ARG 99 CO -0.08 -1.71 0.20 0.95 -0.68 0.00 0.00 175.30 173.99 2i2v s THR 100 N -1.70 0.09 0.18 0.02 -4.23 -1.25 -4.02 115.64 104.73 2i2v s THR 100 Ca 0.78 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 2i2v s THR 100 Cb -0.33 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 2i2v s THR 100 CO 0.42 -0.41 0.16 -0.94 -0.54 0.00 0.00 174.62 173.31 2i2v s SER 101 N -2.97 0.16 -0.47 3.99 1.04 -0.47 -0.18 113.70 114.80 2i2v s SER 101 Ca 0.17 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.41 2i2v s SER 101 Cb 0.05 0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.67 2i2v s SER 101 CO -0.01 -0.84 0.21 -1.00 0.98 0.00 0.00 173.24 172.58 2i2v s HIS 102 N -4.09 3.29 0.06 5.02 3.76 -0.53 0.67 115.29 123.47 2i2v s HIS 102 Ca 0.30 -3.12 -0.31 0.00 -0.15 0.00 0.00 55.06 51.79 2i2v s HIS 102 Cb 0.06 -2.82 -0.06 0.00 1.11 0.00 0.00 32.58 30.87 2i2v s HIS 102 CO 0.07 -0.79 1.20 0.42 -0.85 0.00 0.00 174.74 174.79 2i2v s ILE 103 N 0.01 4.03 -0.11 0.60 1.01 0.31 -2.58 121.20 124.49 2i2v s ILE 103 Ca 0.16 1.46 -0.01 0.00 0.00 0.00 0.00 60.65 62.26 2i2v s ILE 103 Cb -0.24 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.32 2i2v s ILE 103 CO -0.02 0.12 -0.04 -0.89 0.00 0.00 0.00 174.94 174.11 2i2v s THR 104 N 1.04 0.76 -0.08 2.92 2.01 -1.24 0.13 115.64 121.17 2i2v s THR 104 Ca 0.59 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 2i2v s THR 104 Cb -0.29 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 2i2v s THR 104 CO 0.29 0.27 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.79 2i2v s VAL 105 N 1.81 4.20 -0.36 3.82 1.01 0.14 -2.38 120.40 128.64 2i2v s VAL 105 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 2i2v s VAL 105 Cb -0.13 -2.76 0.12 0.00 0.00 0.00 0.00 36.38 33.61 2i2v s VAL 105 CO -0.07 0.60 0.18 -0.69 0.00 0.00 0.00 175.10 175.13 2i2v s VAL 106 N -0.84 0.68 0.15 2.92 1.01 0.39 -1.21 120.40 123.50 2i2v s VAL 106 Ca 0.13 -1.79 -0.12 0.00 0.00 0.00 0.00 61.98 60.20 2i2v s VAL 106 Cb -0.11 -1.50 -0.07 0.00 0.00 0.00 0.00 36.38 34.70 2i2v s VAL 106 CO 0.02 -0.86 0.51 0.54 0.00 0.00 0.00 175.10 175.31 2i2v s VAL 107 N 1.09 4.94 0.00 2.92 0.11 -1.25 -1.46 120.40 126.74 2i2v s VAL 107 Ca 0.15 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 2i2v s VAL 107 Cb -0.21 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 2i2v s VAL 107 CO -0.10 0.16 0.00 -1.20 -3.33 0.00 0.00 175.10 170.64 2i2v n SER 108 N 0.56 0.00 -0.01 3.54 7.64 0.25 -4.35 113.62 121.26 2i2v n SER 108 Ca -0.04 -0.19 -0.04 0.00 1.01 0.00 0.00 58.87 59.61 2i2v n SER 108 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 2i2v n SER 108 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2i2v n ASP 109 N -0.48 1.30 -0.87 6.43 9.92 -1.25 -2.82 116.55 128.78 2i2v n ASP 109 Ca 0.00 0.19 0.11 0.00 -0.53 0.00 0.00 54.79 54.56 2i2v n ASP 109 Cb 0.00 -0.45 0.09 0.00 -0.64 0.00 0.00 41.12 40.12 2i2v n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19