#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t h LYS 3 N 0.00 0.59 -0.20 -0.67 1.79 -2.05 0.19 116.57 116.21 2i2t h LYS 3 Ca 0.00 -0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.23 2i2t h LYS 3 Cb 0.00 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2i2t h LYS 3 CO 0.00 0.39 -0.67 -0.22 -1.08 0.00 0.00 179.45 177.87 2i2t h LYS 4 N 0.61 0.78 0.82 3.15 1.63 -2.06 -2.99 116.57 118.50 2i2t h LYS 4 Ca 0.54 -0.57 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 2i2t h LYS 4 Cb 1.05 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2i2t h LYS 4 CO -0.30 1.19 -0.48 0.77 -3.45 0.00 0.00 179.45 177.17 2i2t h SER 5 N 0.56 -1.21 -0.99 4.20 0.02 -1.13 -1.97 113.55 113.03 2i2t h SER 5 Ca -0.02 0.06 0.20 0.00 -0.84 0.00 0.00 61.79 61.20 2i2t h SER 5 Cb 1.29 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 64.08 2i2t h SER 5 CO 0.14 -0.75 0.62 0.00 -1.14 0.00 0.00 176.83 175.69 2i2t h ALA 6 N -1.23 1.87 0.43 3.77 0.00 -1.37 -1.43 119.26 121.30 2i2t h ALA 6 Ca -0.11 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2i2t h ALA 6 Cb 0.96 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2i2t h ALA 6 CO 0.12 -0.23 -0.45 -0.09 0.00 0.00 0.00 179.25 178.60 2i2t h ARG 7 N 0.63 -0.86 0.03 0.00 2.43 -1.30 0.06 114.38 115.37 2i2t h ARG 7 Ca 0.56 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.81 2i2t h ARG 7 Cb 1.05 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 2i2t h ARG 7 CO -0.33 -0.57 -0.52 0.82 -1.51 0.00 0.00 179.97 177.86 2i2t h ILE 8 N -0.89 0.00 -0.13 1.20 2.04 -0.53 -0.82 117.51 118.38 2i2t h ILE 8 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 2i2t h ILE 8 Cb 0.79 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2i2t h ILE 8 CO -0.08 0.00 0.13 0.08 0.00 0.00 0.00 178.15 178.28 2i2t h ARG 9 N -0.67 0.00 0.00 2.37 -0.00 -1.42 0.46 114.38 115.11 2i2t h ARG 9 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.99 2i2t h ARG 9 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.68 2i2t h ARG 9 CO -0.33 0.00 0.00 -2.13 -0.00 0.00 0.00 179.97 177.51 2i2t n ARG 10 N -3.95 0.22 0.00 0.08 0.63 0.00 -2.98 116.66 110.67 2i2t n ARG 10 Ca 0.00 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 2i2t n ARG 10 Cb 0.24 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.65 2i2t n ARG 10 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2i2t n ALA 11 N -1.28 0.44 0.12 5.13 0.00 0.03 -4.65 120.51 120.29 2i2t n ALA 11 Ca 0.07 -0.18 0.15 0.00 0.00 0.00 0.00 53.44 53.48 2i2t n ALA 11 Cb 0.12 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.24 2i2t n ALA 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2i2t h THR 12 N 1.44 0.85 0.00 0.00 2.02 -1.12 -1.09 112.91 115.02 2i2t h THR 12 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2i2t h THR 12 Cb 0.60 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2i2t h THR 12 CO 0.00 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.75 2i2t n ARG 13 N -4.45 0.00 -0.35 6.66 0.63 -1.26 -2.89 116.66 115.00 2i2t n ARG 13 Ca 0.04 0.43 0.17 0.00 -0.92 0.00 0.00 57.85 57.57 2i2t n ARG 13 Cb 0.37 -1.38 0.38 0.00 0.45 0.00 0.00 32.46 32.28 2i2t n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2i2t h ALA 14 N -2.00 1.77 0.00 5.13 0.00 -1.91 0.14 119.26 122.39 2i2t h ALA 14 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2i2t h ALA 14 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2i2t h ALA 14 CO 0.00 -0.23 -0.13 0.54 0.00 0.00 0.00 179.25 179.43 2i2t n ARG 15 N -4.87 1.36 0.00 0.00 1.74 -0.42 -1.17 116.66 113.30 2i2t n ARG 15 Ca 0.26 -0.62 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 2i2t n ARG 15 Cb 0.72 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 2i2t n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2i2t n ARG 16 N 2.47 0.00 -0.13 5.56 3.00 0.35 -4.84 116.66 123.07 2i2t n ARG 16 Ca 0.27 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 58.01 2i2t n ARG 16 Cb 0.63 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.11 2i2t n ARG 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2i2t h LYS 17 N 0.00 0.92 -0.34 -0.14 3.11 -0.32 0.61 116.57 120.41 2i2t h LYS 17 Ca 0.00 -0.42 -0.08 0.00 -2.81 0.00 0.00 60.65 57.35 2i2t h LYS 17 Cb 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.19 2i2t h LYS 17 CO 0.00 1.07 -0.11 -0.07 -2.81 0.00 0.00 179.45 177.53 2i2t h LEU 18 N 0.78 0.57 -0.08 5.20 4.07 -1.40 -1.90 115.31 122.55 2i2t h LEU 18 Ca 0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 2i2t h LEU 18 Cb 0.84 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 2i2t h LEU 18 CO 0.07 0.72 0.02 -0.61 -1.08 0.00 0.00 178.44 177.56 2i2t h GLN 19 N 0.54 0.12 -0.79 1.13 4.15 -1.56 -1.03 115.11 117.67 2i2t h GLN 19 Ca 0.10 -0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.66 2i2t h GLN 19 Cb 0.52 -0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.08 2i2t h GLN 19 CO 0.03 0.31 0.25 1.49 -1.93 0.00 0.00 178.83 178.99 2i2t h GLU 20 N -0.09 0.32 -0.14 1.69 4.81 0.67 0.15 114.58 121.99 2i2t h GLU 20 Ca 0.02 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2i2t h GLU 20 Cb 0.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2i2t h GLU 20 CO 0.00 0.21 -0.48 -0.07 -0.73 0.00 0.00 179.01 177.94 2i2t h LEU 21 N 0.33 0.38 -2.78 1.64 3.38 -1.10 -3.48 115.31 113.68 2i2t h LEU 21 Ca 0.46 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 2i2t h LEU 21 Cb 0.80 -0.11 0.07 0.00 0.09 0.00 0.00 40.66 41.51 2i2t h LEU 21 CO -0.51 0.80 -0.29 0.61 0.09 0.00 0.00 178.44 179.15 2i2t n GLY 22 N 0.03 0.21 3.04 0.83 0.00 0.52 -5.07 105.19 104.76 2i2t n GLY 22 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2i2t n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2t s ALA 23 N -3.13 1.00 -0.01 4.61 0.00 -1.22 -4.89 121.76 118.12 2i2t s ALA 23 Ca 0.15 -0.44 -0.35 0.00 0.00 0.00 0.00 51.96 51.32 2i2t s ALA 23 Cb -0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 23.12 22.63 2i2t s ALA 23 CO 0.25 0.19 1.70 0.25 0.00 0.00 0.00 175.76 178.15 2i2t n THR 24 N 3.14 0.29 -4.27 0.00 -2.24 -1.26 -4.60 114.28 105.33 2i2t n THR 24 Ca -0.17 -0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 2i2t n THR 24 Cb 0.54 -1.55 -0.09 0.00 -2.10 0.00 0.00 70.33 67.14 2i2t n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i2t s ARG 25 N 2.54 2.12 -0.55 -0.78 1.70 -1.09 -1.68 118.95 121.21 2i2t s ARG 25 Ca 0.88 -1.23 -0.13 0.00 -0.47 0.00 0.00 55.73 54.78 2i2t s ARG 25 Cb -0.77 -2.20 0.14 0.00 -0.57 0.00 0.00 34.95 31.55 2i2t s ARG 25 CO 0.49 0.44 0.47 -1.17 -1.08 0.00 0.00 175.30 174.45 2i2t s LEU 26 N -2.84 6.03 0.01 -1.89 2.96 0.19 -2.29 118.68 120.85 2i2t s LEU 26 Ca 0.25 -2.00 -0.26 0.00 -0.22 0.00 0.00 54.13 51.91 2i2t s LEU 26 Cb -0.09 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2i2t s LEU 26 CO 0.16 -0.74 0.81 -0.69 -1.32 0.00 0.00 176.35 174.57 2i2t s VAL 27 N 1.26 4.83 -0.12 1.68 1.01 -0.17 -1.68 120.40 127.21 2i2t s VAL 27 Ca 0.06 1.71 0.03 0.00 0.00 0.00 0.00 61.98 63.79 2i2t s VAL 27 Cb -0.26 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 31.97 2i2t s VAL 27 CO -0.00 0.28 -0.22 0.54 0.00 0.00 0.00 175.10 175.70 2i2t s VAL 28 N 0.42 1.98 -0.13 2.92 0.11 -1.20 -1.44 120.40 123.05 2i2t s VAL 28 Ca 0.42 -0.95 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 2i2t s VAL 28 Cb -0.20 -1.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.92 2i2t s VAL 28 CO 0.23 0.54 -0.20 -2.28 -3.33 0.00 0.00 175.10 170.06 2i2t s HIS 29 N 0.59 2.68 0.22 1.54 2.46 -0.63 -4.62 115.29 117.53 2i2t s HIS 29 Ca -0.13 -1.14 0.06 0.00 0.47 0.00 0.00 55.06 54.32 2i2t s HIS 29 Cb -0.17 -1.81 -0.04 0.00 -0.13 0.00 0.00 32.58 30.44 2i2t s HIS 29 CO 0.04 -0.50 0.18 0.50 -2.47 0.00 0.00 174.74 172.49 2i2t s ARG 30 N 0.66 2.94 -0.11 2.88 3.00 -1.26 0.11 118.95 127.17 2i2t s ARG 30 Ca -0.10 -0.97 -0.30 0.00 -1.00 0.00 0.00 55.73 53.37 2i2t s ARG 30 Cb -0.16 -2.61 0.08 0.00 0.00 0.00 0.00 34.95 32.26 2i2t s ARG 30 CO 0.02 0.44 0.77 -0.08 0.00 0.00 0.00 175.30 176.44 2i2t s THR 31 N -1.97 0.00 0.38 4.11 -1.32 -0.87 -4.98 115.64 110.99 2i2t s THR 31 Ca 0.32 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.06 2i2t s THR 31 Cb -0.09 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.31 2i2t s THR 31 CO 0.25 0.00 1.49 -2.65 -2.21 0.00 0.00 174.62 171.49 2i2t n PRO 32 N 1.13 -0.05 -0.00 7.08 -0.02 -1.26 -1.95 135.00 139.93 2i2t n PRO 32 Ca -0.16 1.25 0.03 0.00 -2.02 0.00 0.00 63.50 62.60 2i2t n PRO 32 Cb 0.57 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 2i2t n PRO 32 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2i2t n ARG 33 N -4.87 1.79 -4.47 -0.52 3.00 -1.26 -4.92 116.66 105.41 2i2t n ARG 33 Ca 0.37 -0.04 -0.23 0.00 -0.01 0.00 0.00 57.85 57.94 2i2t n ARG 33 Cb 1.36 -1.03 -0.09 0.00 0.00 0.00 0.00 32.46 32.69 2i2t n ARG 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2i2t s HIS 34 N -2.16 1.80 -0.02 -1.55 3.76 -0.82 -3.51 115.29 112.79 2i2t s HIS 34 Ca -0.01 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 53.70 2i2t s HIS 34 Cb 0.04 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.60 2i2t s HIS 34 CO 0.26 -0.24 0.01 0.42 -0.85 0.00 0.00 174.74 174.35 2i2t s ILE 35 N -3.30 0.02 0.13 0.60 -1.09 -1.26 -2.05 121.20 114.24 2i2t s ILE 35 Ca 0.29 0.12 0.09 0.00 -2.23 0.00 0.00 60.65 58.91 2i2t s ILE 35 Cb 0.05 -0.10 -0.04 0.00 -1.58 0.00 0.00 42.46 40.78 2i2t s ILE 35 CO 0.15 0.08 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.41 2i2t s TYR 36 N 0.73 1.89 -0.29 3.97 2.02 0.12 -1.94 117.35 123.84 2i2t s TYR 36 Ca -0.06 -0.42 -0.06 0.00 -0.37 0.00 0.00 57.07 56.15 2i2t s TYR 36 Cb -0.09 -1.00 0.14 0.00 -0.40 0.00 0.00 41.96 40.61 2i2t s TYR 36 CO -0.02 0.27 0.59 0.00 -1.57 0.00 0.00 175.55 174.83 2i2t s ALA 37 N -1.43 -1.96 0.00 3.71 0.00 -1.22 -1.60 121.76 119.26 2i2t s ALA 37 Ca 0.11 2.01 0.01 0.00 0.00 0.00 0.00 51.96 54.09 2i2t s ALA 37 Cb -0.09 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 2i2t s ALA 37 CO 0.05 -1.06 -0.04 1.14 0.00 0.00 0.00 175.76 175.86 2i2t s GLN 38 N 2.83 0.30 -0.61 0.00 -2.07 -0.52 -1.30 119.66 118.28 2i2t s GLN 38 Ca 0.04 -0.23 -0.12 0.00 -1.82 0.00 0.00 55.36 53.23 2i2t s GLN 38 Cb -0.13 -0.23 0.16 0.00 -1.09 0.00 0.00 33.01 31.71 2i2t s GLN 38 CO -0.19 0.06 0.53 0.08 -1.32 0.00 0.00 175.29 174.45 2i2t s VAL 39 N -0.33 4.90 0.43 3.63 1.01 0.11 -1.00 120.40 129.16 2i2t s VAL 39 Ca -0.01 -2.00 -0.18 0.00 0.00 0.00 0.00 61.98 59.79 2i2t s VAL 39 Cb -0.03 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 2i2t s VAL 39 CO -0.00 -0.89 0.90 -0.63 0.00 0.00 0.00 175.10 174.48 2i2t s ILE 40 N 0.96 4.52 0.88 2.22 1.01 -0.97 -1.07 121.20 128.75 2i2t s ILE 40 Ca 0.09 1.23 -0.13 0.00 0.00 0.00 0.00 60.65 61.84 2i2t s ILE 40 Cb -0.22 -3.65 0.13 0.00 0.01 0.00 0.00 42.46 38.73 2i2t s ILE 40 CO -0.02 -0.42 1.20 0.00 0.00 0.00 0.00 174.94 175.70 2i2t s ALA 41 N -2.28 2.27 0.24 9.38 0.00 -0.55 -2.67 121.76 128.14 2i2t s ALA 41 Ca 0.59 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 2i2t s ALA 41 Cb -0.10 -2.94 0.42 0.00 0.00 0.00 0.00 23.12 20.50 2i2t s ALA 41 CO 0.21 -2.06 1.71 -1.35 0.00 0.00 0.00 175.76 174.27 2i2t h PRO 42 N -1.35 0.33 0.00 0.00 0.11 -1.90 0.23 132.00 129.43 2i2t h PRO 42 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2i2t h PRO 42 Cb 1.31 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2i2t h PRO 42 CO 0.58 0.22 0.00 -2.95 -0.21 0.00 0.00 178.00 175.64 2i2t h ASN 43 N 0.34 0.00 0.00 -2.05 7.08 -1.93 -3.45 115.58 115.57 2i2t h ASN 43 Ca 0.39 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.61 2i2t h ASN 43 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.85 2i2t h ASN 43 CO -0.43 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.53 2i2t n GLY 44 N -1.11 1.04 0.01 9.14 0.00 0.80 -4.84 105.19 110.22 2i2t n GLY 44 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 2i2t n GLY 44 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2i2t h SER 45 N 0.00 -0.00 -3.63 1.61 0.87 -1.87 -3.46 113.55 107.06 2i2t h SER 45 Ca 0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 2i2t h SER 45 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2i2t h SER 45 CO 0.00 0.09 0.11 -1.83 -0.53 0.00 0.00 176.83 174.67 2i2t s GLU 46 N -1.12 4.17 -0.16 2.24 -1.05 -1.26 -4.96 118.70 116.55 2i2t s GLU 46 Ca -0.00 0.80 -0.05 0.00 -0.15 0.00 0.00 54.97 55.57 2i2t s GLU 46 Cb 0.00 -2.72 -0.03 0.00 -0.44 0.00 0.00 34.13 30.94 2i2t s GLU 46 CO 0.00 0.31 -0.00 0.08 0.95 0.00 0.00 175.26 176.60 2i2t s VAL 47 N -1.68 4.23 -0.08 1.83 1.01 -1.26 -1.48 120.40 122.96 2i2t s VAL 47 Ca 0.47 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 62.00 2i2t s VAL 47 Cb -0.14 -2.87 -0.29 0.00 0.00 0.00 0.00 36.38 33.08 2i2t s VAL 47 CO 0.20 0.48 0.76 -0.07 0.00 0.00 0.00 175.10 176.47 2i2t h LEU 48 N 6.67 0.35 -7.72 3.92 3.38 -1.43 -3.48 115.31 116.99 2i2t h LEU 48 Ca -0.33 -0.91 -0.09 0.00 0.09 0.00 0.00 57.88 56.63 2i2t h LEU 48 Cb 1.18 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 2i2t h LEU 48 CO 0.66 1.39 -0.33 0.68 0.09 0.00 0.00 178.44 180.92 2i2t s VAL 49 N -2.40 0.12 -0.29 1.22 -7.23 -1.23 -5.01 120.40 105.58 2i2t s VAL 49 Ca -0.17 -0.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.89 2i2t s VAL 49 Cb 0.01 -1.15 0.13 0.00 0.56 0.00 0.00 36.38 35.93 2i2t s VAL 49 CO 0.78 -0.54 0.79 0.00 -0.31 0.00 0.00 175.10 175.81 2i2t s ALA 50 N -3.31 -2.20 -0.12 1.32 0.00 -1.26 0.06 121.76 116.25 2i2t s ALA 50 Ca 0.01 2.28 0.00 0.00 0.00 0.00 0.00 51.96 54.25 2i2t s ALA 50 Cb 0.02 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.41 2i2t s ALA 50 CO -0.08 -0.73 -0.11 0.00 0.00 0.00 0.00 175.76 174.84 2i2t s ALA 51 N 2.29 1.53 0.38 0.00 0.00 -0.42 -4.99 121.76 120.55 2i2t s ALA 51 Ca -0.06 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2i2t s ALA 51 Cb -0.08 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2i2t s ALA 51 CO -0.18 -0.32 0.14 -1.54 0.00 0.00 0.00 175.76 173.85 2i2t s SER 52 N 1.47 2.44 0.32 0.00 1.04 -1.26 -3.40 113.70 114.32 2i2t s SER 52 Ca 0.02 -1.63 0.24 0.00 0.48 0.00 0.00 55.95 55.06 2i2t s SER 52 Cb -0.13 0.43 0.34 0.00 0.10 0.00 0.00 66.02 66.76 2i2t s SER 52 CO -0.07 -0.90 1.49 0.71 0.98 0.00 0.00 173.24 175.45 2i2t h THR 53 N 1.92 0.00 0.00 2.02 1.35 -1.78 -3.18 112.91 113.24 2i2t h THR 53 Ca -0.35 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 2i2t h THR 53 Cb 1.26 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2i2t h THR 53 CO 0.56 0.00 0.00 0.55 -0.25 0.00 0.00 175.52 176.38 2i2t n VAL 54 N -2.78 0.00 -3.46 6.82 3.14 -1.26 -4.16 118.33 116.63 2i2t n VAL 54 Ca 0.03 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.03 2i2t n VAL 54 Cb 0.51 -0.10 -0.09 0.00 -1.06 0.00 0.00 33.84 33.10 2i2t n VAL 54 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2i2t s GLU 55 N -2.00 4.07 0.11 1.45 2.02 -1.20 -5.00 118.70 118.14 2i2t s GLU 55 Ca 0.08 0.00 -0.23 0.00 0.02 0.00 0.00 54.97 54.84 2i2t s GLU 55 Cb 0.04 -3.60 -0.06 0.00 0.10 0.00 0.00 34.13 30.61 2i2t s GLU 55 CO 0.06 -0.13 1.39 -0.22 0.02 0.00 0.00 175.26 176.38 2i2t h LYS 56 N 7.82 -0.12 -0.17 1.61 3.11 -1.91 -0.69 116.57 126.22 2i2t h LYS 56 Ca -0.34 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.52 2i2t h LYS 56 Cb 1.17 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.40 2i2t h LYS 56 CO 0.66 -0.08 -0.10 0.00 -2.81 0.00 0.00 179.45 177.12 2i2t n ALA 57 N -3.09 -0.11 0.13 5.00 0.00 -1.26 0.63 120.51 121.81 2i2t n ALA 57 Ca -0.00 0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 2i2t n ALA 57 Cb 0.21 0.31 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 2i2t n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2i2t h ILE 58 N 0.00 0.00 -1.28 0.00 2.04 -1.78 -2.84 117.51 113.65 2i2t h ILE 58 Ca 0.03 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.26 2i2t h ILE 58 Cb 0.07 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.06 2i2t h ILE 58 CO -0.16 0.00 0.87 0.00 0.00 0.00 0.00 178.15 178.85 2i2t h ALA 59 N -1.50 2.84 -0.43 1.87 0.00 -0.81 -1.70 119.26 119.53 2i2t h ALA 59 Ca -0.03 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2i2t h ALA 59 Cb 0.35 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 2i2t h ALA 59 CO -0.00 -1.31 -0.21 0.93 0.00 0.00 0.00 179.25 178.67 2i2t h GLU 60 N 0.14 -0.11 -1.29 0.00 4.39 0.45 0.17 114.58 118.32 2i2t h GLU 60 Ca 0.69 0.01 -0.47 0.00 0.34 0.00 0.00 59.36 59.93 2i2t h GLU 60 Cb 2.31 0.03 -0.20 0.00 -0.10 0.00 0.00 28.75 30.79 2i2t h GLU 60 CO -0.22 -0.08 0.61 0.00 -1.16 0.00 0.00 179.01 178.17 2i2t n GLN 61 N -5.39 2.17 -5.11 2.33 0.00 -0.64 -4.90 117.38 105.84 2i2t n GLN 61 Ca 0.03 -2.29 -0.32 0.00 0.00 0.00 0.00 57.00 54.42 2i2t n GLN 61 Cb 0.30 -1.90 -0.15 0.00 0.00 0.00 0.00 30.24 28.49 2i2t n GLN 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2i2t s LEU 62 N -2.66 2.35 0.01 2.61 1.98 0.04 -5.02 118.68 117.99 2i2t s LEU 62 Ca 0.45 -0.37 -0.23 0.00 -2.89 0.00 0.00 54.13 51.10 2i2t s LEU 62 Cb 0.36 -1.44 -0.18 0.00 0.66 0.00 0.00 46.19 45.59 2i2t s LEU 62 CO -0.00 0.30 1.28 0.50 -1.89 0.00 0.00 176.35 176.53 2i2t h LYS 63 N 5.64 0.22 -1.86 1.98 3.64 -1.91 -3.46 116.57 120.83 2i2t h LYS 63 Ca -0.41 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 58.91 2i2t h LYS 63 Cb 1.15 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 32.76 2i2t h LYS 63 CO 0.49 0.68 0.03 -0.47 -2.27 0.00 0.00 179.45 177.91 2i2t s TYR 64 N -4.13 -1.07 0.32 1.91 5.04 -1.26 -5.15 117.35 113.02 2i2t s TYR 64 Ca -0.15 2.00 -0.29 0.00 -2.44 0.00 0.00 57.07 56.19 2i2t s TYR 64 Cb 0.03 0.64 -0.11 0.00 0.35 0.00 0.00 41.96 42.88 2i2t s TYR 64 CO 0.73 -0.53 1.50 0.95 -1.34 0.00 0.00 175.55 176.85 2i2t s THR 65 N 2.08 2.24 -0.52 4.34 -4.23 -1.26 -3.28 115.64 115.01 2i2t s THR 65 Ca -0.08 0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 2i2t s THR 65 Cb -0.07 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 2i2t s THR 65 CO -0.19 0.04 0.45 0.61 -0.54 0.00 0.00 174.62 174.99 2i2t n GLY 66 N 1.41 -0.04 1.42 3.99 0.00 -1.23 -4.41 105.19 106.33 2i2t n GLY 66 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.13 2i2t n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2i2t n ASN 67 N -2.24 1.62 0.00 1.61 4.05 -1.20 -4.90 115.26 114.20 2i2t n ASN 67 Ca -0.06 -2.76 0.00 0.00 0.45 0.00 0.00 54.58 52.21 2i2t n ASN 67 Cb 0.56 -0.40 0.00 0.00 1.23 0.00 0.00 39.78 41.17 2i2t n ASN 67 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2i2t n LYS 68 N -0.25 0.00 -0.08 1.20 4.81 -1.26 -3.74 118.16 118.83 2i2t n LYS 68 Ca 0.13 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.58 2i2t n LYS 68 Cb 0.94 0.00 0.30 0.00 0.02 0.00 0.00 35.03 36.30 2i2t n LYS 68 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2i2t h ASP 69 N 0.00 0.64 -0.04 3.14 3.32 -1.95 -1.02 116.42 120.51 2i2t h ASP 69 Ca 0.00 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2i2t h ASP 69 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2i2t h ASP 69 CO 0.00 0.55 -0.10 0.00 -1.72 0.00 0.00 179.24 177.97 2i2t h ALA 70 N 1.55 0.07 0.00 3.45 0.00 -1.82 -2.74 119.26 119.78 2i2t h ALA 70 Ca 0.18 -0.33 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 2i2t h ALA 70 Cb 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2i2t h ALA 70 CO -0.02 -0.06 0.57 0.00 0.00 0.00 0.00 179.25 179.73 2i2t n ALA 71 N -2.42 6.32 0.03 0.00 0.00 -0.44 -2.73 120.51 121.26 2i2t n ALA 71 Ca -0.08 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.28 2i2t n ALA 71 Cb 0.35 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2i2t n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n ALA 72 N 2.78 0.82 0.16 0.00 0.00 -0.88 -2.28 120.51 121.10 2i2t n ALA 72 Ca 0.48 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.97 2i2t n ALA 72 Cb 0.72 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.68 2i2t n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t h ALA 73 N 0.00 1.77 0.78 0.00 0.00 -1.31 -2.34 119.26 118.17 2i2t h ALA 73 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2i2t h ALA 73 Cb 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2i2t h ALA 73 CO 0.00 0.18 -0.38 0.28 0.00 0.00 0.00 179.25 179.33 2i2t h VAL 74 N 0.20 0.00 -0.96 0.00 2.07 -1.80 -1.33 116.25 114.43 2i2t h VAL 74 Ca 0.05 -0.02 0.26 0.00 0.82 0.00 0.00 66.70 67.81 2i2t h VAL 74 Cb 0.11 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.75 2i2t h VAL 74 CO 0.00 0.00 0.49 1.23 0.02 0.00 0.00 177.57 179.31 2i2t h GLY 75 N -1.07 1.81 0.85 2.17 0.00 -1.59 0.41 103.07 105.65 2i2t h GLY 75 Ca -0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2i2t h GLY 75 CO 0.18 -0.35 0.02 1.70 0.00 0.00 0.00 176.54 178.09 2i2t h LYS 76 N 0.40 0.08 -0.23 4.80 3.64 -1.26 0.34 116.57 124.34 2i2t h LYS 76 Ca 0.64 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 60.02 2i2t h LYS 76 Cb 1.33 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2i2t h LYS 76 CO -0.56 0.22 0.15 0.00 -2.27 0.00 0.00 179.45 176.99 2i2t h ALA 77 N 0.86 1.88 -0.39 5.00 0.00 0.47 0.85 119.26 127.92 2i2t h ALA 77 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2i2t h ALA 77 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2i2t h ALA 77 CO -0.00 0.10 0.10 0.28 0.00 0.00 0.00 179.25 179.73 2i2t h VAL 78 N 0.27 1.22 0.13 0.00 2.07 0.49 -0.20 116.25 120.24 2i2t h VAL 78 Ca 0.09 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2i2t h VAL 78 Cb 0.02 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2i2t h VAL 78 CO -0.02 0.27 -0.06 0.00 0.02 0.00 0.00 177.57 177.77 2i2t h ALA 79 N 0.95 -0.18 -0.41 1.67 0.00 0.11 0.19 119.26 121.59 2i2t h ALA 79 Ca 0.12 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2i2t h ALA 79 Cb 0.30 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2i2t h ALA 79 CO 0.00 -0.38 -0.37 0.93 0.00 0.00 0.00 179.25 179.43 2i2t h GLU 80 N -0.61 -0.16 0.11 0.00 4.39 0.69 -2.06 114.58 116.94 2i2t h GLU 80 Ca -0.02 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2i2t h GLU 80 Cb 0.47 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2i2t h GLU 80 CO 0.03 -0.11 -0.18 0.00 -1.16 0.00 0.00 179.01 177.60 2i2t h ARG 81 N -0.16 -0.29 -5.33 2.33 -0.00 -1.06 -2.98 114.38 106.88 2i2t h ARG 81 Ca 0.07 0.02 -0.25 0.00 -0.50 0.00 0.00 59.98 59.32 2i2t h ARG 81 Cb 0.34 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.36 2i2t h ARG 81 CO -0.47 -0.19 0.82 0.00 0.00 0.00 0.00 179.97 180.12 2i2t n ALA 82 N -2.52 1.40 0.00 0.04 0.00 0.67 -0.97 120.51 119.13 2i2t n ALA 82 Ca -0.04 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.60 2i2t n ALA 82 Cb 0.15 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.15 2i2t n ALA 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2i2t n LEU 83 N 15.74 0.00 0.16 0.00 7.94 -1.16 -4.60 117.00 135.07 2i2t n LEU 83 Ca 0.44 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 2i2t n LEU 83 Cb 0.46 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.67 2i2t n LEU 83 CO 0.67 0.00 0.60 -0.08 -1.11 0.00 0.00 177.39 177.47 2i2t h GLU 84 N 0.00 0.01 0.00 1.96 4.81 -0.89 0.83 114.58 121.30 2i2t h GLU 84 Ca 0.00 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2i2t h GLU 84 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2i2t h GLU 84 CO 0.00 0.51 -0.26 0.87 -0.73 0.00 0.00 179.01 179.41 2i2t h LYS 85 N 0.01 0.00 0.00 1.92 1.79 -1.72 -3.47 116.57 115.09 2i2t h LYS 85 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2i2t h LYS 85 Cb 0.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2i2t h LYS 85 CO 0.07 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 179.10 2i2t n GLY 86 N 0.93 2.13 3.53 3.86 0.00 0.29 -5.03 105.19 110.90 2i2t n GLY 86 Ca 0.02 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 2i2t n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2i2t n ILE 87 N 0.00 -0.03 -4.97 -0.61 2.08 -1.26 -4.68 119.36 109.89 2i2t n ILE 87 Ca 0.00 -0.50 -0.31 0.00 0.56 0.00 0.00 62.75 62.50 2i2t n ILE 87 Cb 0.00 -1.55 -0.14 0.00 -0.75 0.00 0.00 39.64 37.19 2i2t n ILE 87 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2i2t s LYS 88 N 8.37 2.08 -0.00 0.38 2.20 -1.26 -3.89 119.74 127.62 2i2t s LYS 88 Ca 1.10 -0.95 -0.01 0.00 -0.36 0.00 0.00 55.97 55.75 2i2t s LYS 88 Cb -0.50 -2.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2i2t s LYS 88 CO 0.31 0.55 0.02 -3.47 -0.36 0.00 0.00 175.35 172.40 2i2t n ASP 89 N 2.02 -5.59 -0.38 1.43 -0.08 -1.25 -4.89 116.55 107.81 2i2t n ASP 89 Ca -0.16 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.11 2i2t n ASP 89 Cb 0.52 -3.34 0.00 0.00 2.34 0.00 0.00 41.12 40.64 2i2t n ASP 89 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2i2t n VAL 90 N 1.00 0.00 -4.63 5.18 0.24 -0.55 -4.90 118.33 114.67 2i2t n VAL 90 Ca -0.03 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.99 2i2t n VAL 90 Cb 0.04 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.25 2i2t n VAL 90 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2i2t s SER 91 N 0.39 2.37 -0.02 -1.34 0.01 -0.68 -4.53 113.70 109.90 2i2t s SER 91 Ca 0.00 -0.41 -0.28 0.00 1.31 0.00 0.00 55.95 56.56 2i2t s SER 91 Cb 0.00 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 2i2t s SER 91 CO 0.00 0.05 0.91 0.12 0.41 0.00 0.00 173.24 174.72 2i2t s PHE 92 N 0.78 3.64 -0.55 2.43 5.36 -1.26 0.56 117.98 128.94 2i2t s PHE 92 Ca -0.11 1.59 -0.00 0.00 -0.96 0.00 0.00 56.93 57.44 2i2t s PHE 92 Cb -0.16 -3.04 0.14 0.00 -0.34 0.00 0.00 43.02 39.63 2i2t s PHE 92 CO 0.02 0.02 0.33 0.34 -1.46 0.00 0.00 175.22 174.47 2i2t s ASP 93 N 0.95 4.90 0.52 6.13 3.68 -0.68 -4.89 116.67 127.28 2i2t s ASP 93 Ca 0.48 -2.78 0.26 0.00 2.13 0.00 0.00 52.55 52.64 2i2t s ASP 93 Cb -0.20 -1.77 1.38 0.00 -1.45 0.00 0.00 42.92 40.88 2i2t s ASP 93 CO 0.26 -0.34 1.94 0.08 0.13 0.00 0.00 175.17 177.24 2i2t h ARG 94 N 6.99 0.06 -5.61 4.34 0.11 -1.89 -3.16 114.38 115.22 2i2t h ARG 94 Ca -0.05 -0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.93 2i2t h ARG 94 Cb 0.95 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.02 2i2t h ARG 94 CO 0.69 0.04 -0.62 0.43 0.10 0.00 0.00 179.97 180.61 2i2t n SER 95 N -4.36 -7.32 0.00 0.08 7.64 -1.26 -3.60 113.62 104.80 2i2t n SER 95 Ca 0.14 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2i2t n SER 95 Cb 0.73 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 2i2t n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2i2t n GLY 96 N -0.49 1.05 3.77 0.23 0.00 -1.26 -4.94 105.19 103.55 2i2t n GLY 96 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2i2t n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i2t s PHE 97 N 0.00 2.92 -0.54 1.61 0.08 -1.24 -4.92 117.98 115.90 2i2t s PHE 97 Ca 0.00 1.39 -0.28 0.00 0.12 0.00 0.00 56.93 58.16 2i2t s PHE 97 Cb 0.00 -3.71 0.00 0.00 -0.57 0.00 0.00 43.02 38.74 2i2t s PHE 97 CO 0.00 -2.04 1.56 -1.14 -0.10 0.00 0.00 175.22 173.50 2i2t s GLN 98 N -1.98 3.17 -0.78 0.44 0.74 -1.26 -4.85 119.66 115.15 2i2t s GLN 98 Ca 0.52 0.63 -0.29 0.00 0.05 0.00 0.00 55.36 56.27 2i2t s GLN 98 Cb -0.40 -4.19 -0.16 0.00 1.10 0.00 0.00 33.01 29.37 2i2t s GLN 98 CO 0.52 -2.08 2.57 0.98 -0.55 0.00 0.00 175.29 176.73 2i2t n TYR 99 N 10.30 0.94 0.00 1.67 4.19 -1.26 -4.07 117.16 128.93 2i2t n TYR 99 Ca 0.15 0.26 0.00 0.00 3.31 0.00 0.00 57.90 61.62 2i2t n TYR 99 Cb 0.49 -2.48 0.00 0.00 0.49 0.00 0.00 39.34 37.85 2i2t n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2i2t n HIS 100 N 12.91 -0.18 0.00 2.98 -0.00 -1.26 -4.82 115.22 124.85 2i2t n HIS 100 Ca 0.53 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.71 2i2t n HIS 100 Cb 0.26 0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.17 2i2t n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2i2t n GLY 101 N -1.18 0.55 0.12 1.57 0.00 -1.26 -4.41 105.19 100.58 2i2t n GLY 101 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2i2t n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2t n ARG 102 N 0.00 0.15 -0.04 1.61 1.74 -1.26 -1.56 116.66 117.30 2i2t n ARG 102 Ca 0.00 0.46 -0.12 0.00 -0.77 0.00 0.00 57.85 57.43 2i2t n ARG 102 Cb 0.00 -1.83 -0.14 0.00 -1.02 0.00 0.00 32.46 29.46 2i2t n ARG 102 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2i2t n VAL 103 N -2.13 1.59 1.55 1.55 0.31 -1.26 -3.46 118.33 116.48 2i2t n VAL 103 Ca 0.01 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 2i2t n VAL 103 Cb 0.16 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 2i2t n VAL 103 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2i2t n GLN 104 N -3.07 0.86 -4.31 5.55 7.27 -0.60 -3.71 117.38 119.38 2i2t n GLN 104 Ca -0.25 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.66 2i2t n GLN 104 Cb 1.07 -1.08 -0.10 0.00 2.41 0.00 0.00 30.24 32.53 2i2t n GLN 104 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2i2t s ALA 105 N -1.81 1.69 0.00 1.69 0.00 -1.05 -4.31 121.76 117.98 2i2t s ALA 105 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2i2t s ALA 105 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.73 2i2t s ALA 105 CO 0.00 -0.31 0.00 1.47 0.00 0.00 0.00 175.76 176.92 2i2t n LEU 106 N -0.39 0.00 -0.09 0.00 -0.00 -0.97 -4.40 117.00 111.15 2i2t n LEU 106 Ca -0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.81 2i2t n LEU 106 Cb 0.64 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.99 2i2t n LEU 106 CO 0.36 0.00 -0.55 0.00 -0.00 0.00 0.00 177.39 177.21 2i2t n ALA 107 N 0.35 0.70 0.36 1.47 0.00 -1.24 -3.12 120.51 119.02 2i2t n ALA 107 Ca 0.00 -0.53 0.12 0.00 0.00 0.00 0.00 53.44 53.03 2i2t n ALA 107 Cb 0.00 -0.25 0.17 0.00 0.00 0.00 0.00 19.45 19.37 2i2t n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2i2t h ASP 108 N -1.00 0.00 0.77 0.00 -0.00 -1.77 0.32 116.42 114.74 2i2t h ASP 108 Ca -0.23 -0.06 0.00 0.00 -0.00 0.00 0.00 57.03 56.75 2i2t h ASP 108 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.34 2i2t h ASP 108 CO -0.14 0.03 0.00 0.00 -0.00 0.00 0.00 179.24 179.13 2i2t n ALA 109 N -1.99 2.38 -0.02 4.15 0.00 -1.26 -1.27 120.51 122.50 2i2t n ALA 109 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.36 2i2t n ALA 109 Cb 0.49 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 2i2t n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n ALA 110 N -1.39 2.13 0.31 0.00 0.00 -1.04 -3.07 120.51 117.45 2i2t n ALA 110 Ca 0.10 -0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 2i2t n ALA 110 Cb 0.28 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 2i2t n ALA 110 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2i2t h ARG 111 N 0.00 -0.81 0.00 0.00 2.43 -0.52 -1.94 114.38 113.54 2i2t h ARG 111 Ca -0.11 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2i2t h ARG 111 Cb 0.93 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2i2t h ARG 111 CO 0.01 -0.54 -0.07 1.49 -1.51 0.00 0.00 179.97 179.34 2i2t h GLU 112 N -1.19 0.00 0.00 0.20 4.81 -1.43 -0.60 114.58 116.36 2i2t h GLU 112 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2i2t h GLU 112 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2i2t h GLU 112 CO 0.14 0.07 0.00 0.00 -0.73 0.00 0.00 179.01 178.50 2i2t h ALA 113 N 1.93 1.00 0.00 2.92 0.00 -1.62 -3.45 119.26 120.03 2i2t h ALA 113 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i2t h ALA 113 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2i2t h ALA 113 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2i2t n GLY 114 N -0.83 3.70 3.66 0.00 0.00 -0.24 -4.76 105.19 106.72 2i2t n GLY 114 Ca -0.01 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 2i2t n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i2t n LEU 115 N 0.00 2.93 -4.58 0.99 4.32 -0.75 -4.84 117.00 115.08 2i2t n LEU 115 Ca 0.00 1.16 -0.37 0.00 -0.02 0.00 0.00 56.01 56.78 2i2t n LEU 115 Cb 0.00 -1.41 -0.11 0.00 -1.62 0.00 0.00 43.42 40.28 2i2t n LEU 115 CO 0.00 -0.66 -0.20 -1.58 -1.22 0.00 0.00 177.39 173.73 2i2t s GLN 116 N -0.88 3.92 0.00 3.23 2.00 -1.26 -4.38 119.66 122.29 2i2t s GLN 116 Ca 0.64 -0.34 0.00 0.00 -2.00 0.00 0.00 55.36 53.66 2i2t s GLN 116 Cb -0.65 -3.55 0.00 0.00 0.80 0.00 0.00 33.01 29.61 2i2t s GLN 116 CO 0.54 -0.11 0.00 1.97 -0.50 0.00 0.00 175.29 177.19