#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s n ARG 2 N 0.00 1.44 0.00 0.00 3.00 -1.23 -4.19 116.66 115.67 3i1s n ARG 2 Ca 0.00 -0.68 0.00 0.00 -0.01 0.00 0.00 57.85 57.16 3i1s n ARG 2 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 30.97 3i1s n ARG 2 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3i1s n ILE 3 N -0.19 0.00 0.00 0.55 5.41 -1.24 -1.24 119.36 122.65 3i1s n ILE 3 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.95 3i1s n ILE 3 Cb 0.29 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 3i1s n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1s n ALA 4 N 0.00 0.00 -3.06 -1.39 0.00 -1.26 -4.96 120.51 109.84 3i1s n ALA 4 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3i1s n ALA 4 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3i1s n ALA 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1s n GLY 5 N -0.44 5.38 1.74 0.00 0.00 -1.17 -4.92 105.19 105.79 3i1s n GLY 5 Ca 0.00 -2.73 -0.02 0.00 0.00 0.00 0.00 46.02 43.26 3i1s n GLY 5 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i1s n ILE 6 N 0.38 0.00 -3.74 -0.61 -5.35 -1.18 -4.86 119.36 104.00 3i1s n ILE 6 Ca 0.33 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.44 3i1s n ILE 6 Cb 0.37 -0.03 -0.12 0.00 -1.74 0.00 0.00 39.64 38.11 3i1s n ILE 6 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3i1s s ASN 7 N -1.19 5.23 -0.77 7.28 -0.87 -0.37 -4.94 114.94 119.31 3i1s s ASN 7 Ca 0.05 -0.18 0.02 0.00 -1.57 0.00 0.00 52.86 51.18 3i1s s ASN 7 Cb -0.03 -1.95 0.34 0.00 -0.02 0.00 0.00 41.25 39.60 3i1s s ASN 7 CO 0.06 -0.03 1.41 -0.38 -2.57 0.00 0.00 177.10 175.58 3i1s n ILE 8 N 4.93 4.26 -2.65 0.60 5.41 -1.26 -3.52 119.36 127.13 3i1s n ILE 8 Ca -0.16 -5.57 -0.25 0.00 1.00 0.00 0.00 62.75 57.77 3i1s n ILE 8 Cb 0.51 -1.43 0.02 0.00 -0.71 0.00 0.00 39.64 38.03 3i1s n ILE 8 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3i1s s PRO 9 N -3.88 3.06 0.23 0.38 0.04 -1.26 -5.01 135.00 128.56 3i1s s PRO 9 Ca 0.45 -0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.35 3i1s s PRO 9 Cb 0.27 -2.39 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 3i1s s PRO 9 CO -0.17 -0.47 0.04 -0.25 0.04 0.00 0.00 177.00 176.19 3i1s n ASP 10 N -2.35 1.89 -3.23 6.66 8.00 -1.26 -4.97 116.55 121.28 3i1s n ASP 10 Ca 0.03 -2.11 -0.34 0.00 0.71 0.00 0.00 54.79 53.07 3i1s n ASP 10 Cb 0.57 0.35 0.03 0.00 -0.02 0.00 0.00 41.12 42.06 3i1s n ASP 10 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3i1s n HIS 11 N -0.55 -2.33 -3.52 1.24 -0.00 -1.26 -4.97 115.22 103.83 3i1s n HIS 11 Ca -0.07 0.98 -0.09 0.00 0.46 0.00 0.00 57.72 59.00 3i1s n HIS 11 Cb 0.32 -1.57 -0.09 0.00 -0.12 0.00 0.00 29.99 28.53 3i1s n HIS 11 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3i1s s LYS 12 N -2.28 0.32 0.85 1.57 -0.14 -1.26 -4.92 119.74 113.89 3i1s s LYS 12 Ca 0.32 0.80 -0.16 0.00 -1.36 0.00 0.00 55.97 55.58 3i1s s LYS 12 Cb -0.03 -0.04 -0.06 0.00 -1.68 0.00 0.00 37.83 36.02 3i1s s LYS 12 CO 0.77 -0.43 -0.00 1.58 -0.76 0.00 0.00 175.35 176.52 3i1s n HIS 13 N 5.38 -2.63 0.00 3.18 -0.00 -1.26 -3.75 115.22 116.14 3i1s n HIS 13 Ca -0.06 0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.32 3i1s n HIS 13 Cb 0.50 -1.70 0.00 0.00 -0.12 0.00 0.00 29.99 28.67 3i1s n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i1s n ALA 14 N -2.68 0.00 0.03 1.57 0.00 -1.24 -0.96 120.51 117.22 3i1s n ALA 14 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 3i1s n ALA 14 Cb 0.53 0.38 -0.09 0.00 0.00 0.00 0.00 19.45 20.26 3i1s n ALA 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1s h VAL 15 N 0.00 1.15 -1.54 0.00 2.07 -1.83 -3.30 116.25 112.80 3i1s h VAL 15 Ca 0.00 -1.04 0.45 0.00 0.82 0.00 0.00 66.70 66.93 3i1s h VAL 15 Cb 0.00 1.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 3i1s h VAL 15 CO 0.00 0.25 1.09 0.40 0.02 0.00 0.00 177.57 179.33 3i1s h ILE 16 N -0.61 0.20 0.52 4.57 5.03 -1.84 -0.76 117.51 124.62 3i1s h ILE 16 Ca -0.01 -0.01 -0.03 0.00 -0.12 0.00 0.00 64.86 64.69 3i1s h ILE 16 Cb 0.50 0.17 0.01 0.00 -3.03 0.00 0.00 36.82 34.46 3i1s h ILE 16 CO 0.02 0.01 -0.25 0.00 -0.68 0.00 0.00 178.15 177.24 3i1s h ALA 17 N 1.27 -0.70 0.00 1.87 0.00 -1.13 -3.21 119.26 117.36 3i1s h ALA 17 Ca 0.76 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3i1s h ALA 17 Cb 2.92 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.98 3i1s h ALA 17 CO -0.08 -0.80 0.00 1.28 0.00 0.00 0.00 179.25 179.65 3i1s n LEU 18 N -5.32 0.05 0.15 0.00 4.32 -0.31 -3.55 117.00 112.34 3i1s n LEU 18 Ca -0.12 0.51 -0.13 0.00 -0.02 0.00 0.00 56.01 56.25 3i1s n LEU 18 Cb 0.32 -0.49 -0.07 0.00 -1.62 0.00 0.00 43.42 41.56 3i1s n LEU 18 CO 0.33 -0.10 0.76 0.71 -1.22 0.00 0.00 177.39 177.87 3i1s h THR 19 N 0.00 0.65 0.00 -5.08 1.35 -1.51 -1.58 112.91 106.74 3i1s h THR 19 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3i1s h THR 19 Cb 0.43 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3i1s h THR 19 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 3i1s n SER 20 N -5.28 0.30 -4.69 5.36 7.64 -1.23 -4.50 113.62 111.22 3i1s n SER 20 Ca -0.08 -1.14 -0.41 0.00 1.01 0.00 0.00 58.87 58.24 3i1s n SER 20 Cb 0.20 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.21 3i1s n SER 20 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i1s s ILE 21 N -1.47 4.90 -1.26 0.44 1.01 -0.59 -4.90 121.20 119.33 3i1s s ILE 21 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.36 3i1s s ILE 21 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3i1s s ILE 21 CO 0.00 0.09 0.22 -1.22 0.00 0.00 0.00 174.94 174.03 3i1s n TYR 22 N 4.74 0.00 0.00 3.97 4.01 -1.26 -1.05 117.16 127.56 3i1s n TYR 22 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3i1s n TYR 22 Cb 0.50 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 3i1s n TYR 22 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i1s n GLY 23 N 0.20 0.35 3.07 2.72 0.00 -1.26 -3.77 105.19 106.50 3i1s n GLY 23 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3i1s n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1s s VAL 24 N -1.51 0.10 0.00 1.61 -7.23 -0.22 -4.91 120.40 108.23 3i1s s VAL 24 Ca 0.00 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 3i1s s VAL 24 Cb 0.00 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.49 3i1s s VAL 24 CO 0.00 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 3i1s n GLY 25 N 1.39 1.33 0.50 2.32 0.00 -1.26 -4.28 105.19 105.19 3i1s n GLY 25 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3i1s n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1s n LYS 26 N 0.00 0.00 -0.00 1.61 5.02 -1.26 -4.00 118.16 119.52 3i1s n LYS 26 Ca 0.00 -0.67 -0.00 0.00 -2.02 0.00 0.00 58.31 55.62 3i1s n LYS 26 Cb 0.00 -0.34 -0.00 0.00 -0.02 0.00 0.00 35.03 34.67 3i1s n LYS 26 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i1s n THR 27 N 0.00 0.01 1.30 -0.18 -1.04 -1.26 -4.56 114.28 108.55 3i1s n THR 27 Ca 0.00 0.38 0.12 0.00 -2.04 0.00 0.00 64.05 62.51 3i1s n THR 27 Cb 0.63 -1.39 0.66 0.00 -1.82 0.00 0.00 70.33 68.41 3i1s n THR 27 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i1s n ARG 28 N -2.51 0.51 0.18 -2.82 0.00 -1.26 -1.08 116.66 109.68 3i1s n ARG 28 Ca -0.00 0.04 0.13 0.00 -0.00 0.00 0.00 57.85 58.02 3i1s n ARG 28 Cb 0.00 -1.50 0.59 0.00 0.00 0.00 0.00 32.46 31.55 3i1s n ARG 28 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3i1s h SER 29 N 0.00 0.00 0.00 6.15 0.87 -1.84 0.38 113.55 119.11 3i1s h SER 29 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 3i1s h SER 29 Cb 0.14 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 3i1s h SER 29 CO 0.00 0.00 -1.87 1.17 -0.53 0.00 0.00 176.83 175.60 3i1s n LYS 30 N -2.45 0.96 0.26 2.24 4.81 -0.24 -4.25 118.16 119.48 3i1s n LYS 30 Ca 0.01 0.06 0.13 0.00 -0.87 0.00 0.00 58.31 57.64 3i1s n LYS 30 Cb 0.20 -1.31 0.66 0.00 0.02 0.00 0.00 35.03 34.59 3i1s n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1s h ALA 31 N 0.21 1.12 -0.05 3.14 0.00 -1.19 -0.16 119.26 122.33 3i1s h ALA 31 Ca -0.34 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 3i1s h ALA 31 Cb 1.61 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3i1s h ALA 31 CO -0.03 0.17 -0.49 0.97 0.00 0.00 0.00 179.25 179.86 3i1s h ILE 32 N 0.00 1.35 0.00 0.00 -0.00 -0.47 -2.01 117.51 116.38 3i1s h ILE 32 Ca -0.00 -1.71 -0.06 0.00 -0.00 0.00 0.00 64.86 63.09 3i1s h ILE 32 Cb 0.49 1.86 -0.01 0.00 -0.00 0.00 0.00 36.82 39.16 3i1s h ILE 32 CO 0.02 0.50 -0.28 -0.07 -0.00 0.00 0.00 178.15 178.32 3i1s h LEU 33 N 0.11 0.00 -2.58 2.19 3.38 -1.25 -2.88 115.31 114.27 3i1s h LEU 33 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i1s h LEU 33 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3i1s h LEU 33 CO 0.07 0.28 -0.01 0.00 0.09 0.00 0.00 178.44 178.86 3i1s h ALA 34 N 1.72 1.14 0.75 1.53 0.00 -0.98 0.14 119.26 123.56 3i1s h ALA 34 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3i1s h ALA 34 Cb 0.63 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3i1s h ALA 34 CO 0.04 0.02 -0.36 0.00 0.00 0.00 0.00 179.25 178.95 3i1s h ALA 35 N 1.99 -1.00 -1.00 0.00 0.00 -1.59 -3.24 119.26 114.42 3i1s h ALA 35 Ca -0.00 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.15 3i1s h ALA 35 Cb 0.10 0.39 -0.31 0.00 0.00 0.00 0.00 17.79 17.97 3i1s h ALA 35 CO 0.00 -0.95 0.68 0.00 0.00 0.00 0.00 179.25 178.98 3i1s n ALA 36 N -2.67 5.69 -3.88 0.00 0.00 -0.94 -4.93 120.51 113.77 3i1s n ALA 36 Ca -0.13 -2.96 -0.24 0.00 0.00 0.00 0.00 53.44 50.11 3i1s n ALA 36 Cb 0.40 -1.49 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 3i1s n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1s n GLY 37 N -1.11 -0.11 3.64 0.00 0.00 0.30 -4.78 105.19 103.14 3i1s n GLY 37 Ca 0.60 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 46.33 3i1s n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1s s ILE 38 N -3.96 3.76 0.06 -0.61 -1.09 -0.18 -4.89 121.20 114.28 3i1s s ILE 38 Ca 0.05 0.89 -0.37 0.00 -2.23 0.00 0.00 60.65 58.99 3i1s s ILE 38 Cb -0.03 -3.69 -0.19 0.00 -1.58 0.00 0.00 42.46 36.98 3i1s s ILE 38 CO 0.76 -0.20 0.94 0.00 -1.23 0.00 0.00 174.94 175.21 3i1s n ALA 39 N 7.76 -3.34 -0.38 9.38 0.00 -1.26 -4.81 120.51 127.85 3i1s n ALA 39 Ca 0.17 0.56 -0.01 0.00 0.00 0.00 0.00 53.44 54.16 3i1s n ALA 39 Cb 0.44 -1.74 0.04 0.00 0.00 0.00 0.00 19.45 18.19 3i1s n ALA 39 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i1s h GLU 40 N 2.55 -0.00 0.00 0.00 4.11 -2.00 -3.42 114.58 115.82 3i1s h GLU 40 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3i1s h GLU 40 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 3i1s h GLU 40 CO 0.63 -0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.46 3i1s n ASP 41 N -5.47 0.00 -1.56 3.06 8.00 -1.26 -4.36 116.55 114.96 3i1s n ASP 41 Ca 0.10 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.86 3i1s n ASP 41 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 3i1s n ASP 41 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3i1s n VAL 42 N -1.11 -9.41 -0.70 2.53 0.31 -1.26 -4.62 118.33 104.07 3i1s n VAL 42 Ca 0.00 2.17 0.00 0.00 -0.01 0.00 0.00 64.34 66.50 3i1s n VAL 42 Cb 0.00 -4.40 0.00 0.00 -0.91 0.00 0.00 33.84 28.53 3i1s n VAL 42 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i1s n LYS 43 N 1.21 3.53 -2.40 5.55 5.02 -1.26 -3.69 118.16 126.11 3i1s n LYS 43 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3i1s n LYS 43 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3i1s n LYS 43 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i1s s ILE 44 N 1.87 3.62 0.04 -0.18 1.01 -1.25 -4.19 121.20 122.13 3i1s s ILE 44 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3i1s s ILE 44 Cb 0.00 -4.63 0.00 0.00 0.01 0.00 0.00 42.46 37.84 3i1s s ILE 44 CO 0.00 -1.58 0.00 -1.54 0.00 0.00 0.00 174.94 171.82 3i1s n SER 45 N 10.39 -0.39 -2.53 3.58 3.41 -1.26 -4.39 113.62 122.42 3i1s n SER 45 Ca 0.10 0.22 -0.21 0.00 -0.26 0.00 0.00 58.87 58.71 3i1s n SER 45 Cb 0.50 0.58 -0.11 0.00 -0.26 0.00 0.00 64.21 64.92 3i1s n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i1s n GLU 46 N -2.23 2.49 -3.42 4.33 -0.58 -1.26 -4.70 120.64 115.27 3i1s n GLU 46 Ca 0.00 -1.39 -0.06 0.00 -0.42 0.00 0.00 57.16 55.29 3i1s n GLU 46 Cb 0.00 -2.27 -0.07 0.00 -0.57 0.00 0.00 31.44 28.53 3i1s n GLU 46 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3i1s s LEU 47 N 0.06 -0.81 0.50 -4.62 0.20 -1.26 -5.10 118.68 107.66 3i1s s LEU 47 Ca 0.64 0.66 -0.11 0.00 0.69 0.00 0.00 54.13 56.00 3i1s s LEU 47 Cb 0.25 1.46 -0.06 0.00 -0.43 0.00 0.00 46.19 47.41 3i1s s LEU 47 CO -0.02 -0.27 0.90 -0.55 -0.29 0.00 0.00 176.35 176.12 3i1s s SER 48 N 2.65 6.44 -0.93 3.68 0.15 -1.26 -4.96 113.70 119.47 3i1s s SER 48 Ca 0.09 1.30 -0.24 0.00 0.70 0.00 0.00 55.95 57.79 3i1s s SER 48 Cb -0.14 -2.40 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 3i1s s SER 48 CO -0.16 -0.60 1.82 -1.61 1.20 0.00 0.00 173.24 173.89 3i1s s GLU 49 N -4.39 2.82 0.00 5.44 0.41 -1.26 -2.53 118.70 119.18 3i1s s GLU 49 Ca 0.54 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.61 3i1s s GLU 49 Cb -0.10 -5.13 0.00 0.00 -1.78 0.00 0.00 34.13 27.12 3i1s s GLU 49 CO 0.39 -3.07 0.00 0.41 -0.49 0.00 0.00 175.26 172.50 3i1s n GLY 50 N 6.85 0.00 0.00 -1.39 0.00 -1.26 -4.94 105.19 104.45 3i1s n GLY 50 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3i1s n GLY 50 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1s n GLN 51 N 0.00 2.39 -0.03 1.61 7.27 -1.05 -4.81 117.38 122.76 3i1s n GLN 51 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 3i1s n GLN 51 Cb 0.00 -0.81 -0.03 0.00 2.41 0.00 0.00 30.24 31.80 3i1s n GLN 51 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 3i1s n ILE 52 N -1.22 0.40 0.82 1.69 0.13 -1.26 -4.42 119.36 115.50 3i1s n ILE 52 Ca 0.00 -0.16 0.00 0.00 -1.10 0.00 0.00 62.75 61.49 3i1s n ILE 52 Cb 0.18 -0.76 0.00 0.00 -0.84 0.00 0.00 39.64 38.22 3i1s n ILE 52 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 3i1s n ASP 53 N -2.68 0.04 -0.04 9.51 3.85 -1.26 0.61 116.55 126.58 3i1s n ASP 53 Ca -0.12 -0.87 -0.01 0.00 -0.71 0.00 0.00 54.79 53.08 3i1s n ASP 53 Cb 0.64 -0.02 -0.11 0.00 -1.35 0.00 0.00 41.12 40.28 3i1s n ASP 53 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3i1s n THR 54 N -0.42 0.55 1.05 2.12 -2.24 -1.26 -4.53 114.28 109.55 3i1s n THR 54 Ca 0.00 -0.46 0.02 0.00 -2.27 0.00 0.00 64.05 61.33 3i1s n THR 54 Cb 0.01 -0.33 0.07 0.00 -2.10 0.00 0.00 70.33 67.98 3i1s n THR 54 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i1s n LEU 55 N -2.29 1.37 0.22 3.22 4.77 0.20 -3.56 117.00 120.93 3i1s n LEU 55 Ca -0.14 -0.69 0.12 0.00 -0.03 0.00 0.00 56.01 55.27 3i1s n LEU 55 Cb 0.71 -0.34 0.16 0.00 -2.33 0.00 0.00 43.42 41.62 3i1s n LEU 55 CO 0.28 0.26 0.79 0.03 -1.33 0.00 0.00 177.39 177.42 3i1s h ARG 56 N 0.75 0.00 0.00 3.23 2.47 -1.79 -3.32 114.38 115.73 3i1s h ARG 56 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3i1s h ARG 56 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 3i1s h ARG 56 CO 0.05 0.01 -0.13 0.38 0.56 0.00 0.00 179.97 180.84 3i1s h ASP 57 N 0.00 0.00 -0.75 7.04 -0.00 -1.92 -1.49 116.42 119.30 3i1s h ASP 57 Ca -0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.03 57.25 3i1s h ASP 57 Cb 1.01 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.31 3i1s h ASP 57 CO 0.00 0.55 0.68 -0.33 -0.00 0.00 0.00 179.24 180.15 3i1s h GLU 58 N -0.98 0.00 0.01 4.15 3.07 -1.81 0.16 114.58 119.18 3i1s h GLU 58 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 3i1s h GLU 58 Cb 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3i1s h GLU 58 CO 0.00 0.00 -0.58 -0.24 -1.40 0.00 0.00 179.01 176.79 3i1s h VAL 59 N 0.00 1.41 -1.07 3.13 3.04 -1.69 -3.35 116.25 117.72 3i1s h VAL 59 Ca 0.36 -2.29 0.33 0.00 -1.01 0.00 0.00 66.70 64.08 3i1s h VAL 59 Cb 1.71 2.91 -0.13 0.00 -2.01 0.00 0.00 31.29 33.77 3i1s h VAL 59 CO -0.00 0.50 0.65 0.00 -1.01 0.00 0.00 177.57 177.71 3i1s h ALA 60 N -0.19 2.16 -0.02 3.17 0.00 0.39 -3.37 119.26 121.40 3i1s h ALA 60 Ca -0.15 0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3i1s h ALA 60 Cb 1.18 0.13 0.05 0.00 0.00 0.00 0.00 17.79 19.15 3i1s h ALA 60 CO -0.07 -0.73 0.78 1.63 0.00 0.00 0.00 179.25 180.86 3i1s n LYS 61 N -4.89 0.02 0.00 0.00 5.02 -0.57 -4.58 118.16 113.16 3i1s n LYS 61 Ca 0.31 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 3i1s n LYS 61 Cb 1.04 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3i1s n LYS 61 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i1s n PHE 62 N 9.51 0.00 -1.77 2.13 7.35 -1.26 -5.09 117.46 128.33 3i1s n PHE 62 Ca 0.26 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.52 3i1s n PHE 62 Cb 0.40 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.20 3i1s n PHE 62 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3i1s s VAL 63 N -1.79 3.20 0.29 -2.13 -7.23 -1.26 -4.97 120.40 106.50 3i1s s VAL 63 Ca 0.00 0.21 0.08 0.00 -1.81 0.00 0.00 61.98 60.46 3i1s s VAL 63 Cb 0.00 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 3i1s s VAL 63 CO 0.00 -0.16 0.16 -0.69 -0.31 0.00 0.00 175.10 174.11 3i1s s VAL 64 N 7.45 3.81 0.00 1.32 1.01 -1.26 -4.48 120.40 128.26 3i1s s VAL 64 Ca 0.91 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3i1s s VAL 64 Cb -0.30 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3i1s s VAL 64 CO 0.35 -0.29 0.00 -0.62 0.00 0.00 0.00 175.10 174.53 3i1s n GLU 65 N -1.15 0.00 -0.00 2.72 1.02 -1.25 -1.46 120.64 120.52 3i1s n GLU 65 Ca -0.05 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3i1s n GLU 65 Cb 0.59 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 32.01 3i1s n GLU 65 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3i1s h GLY 66 N 0.00 -1.93 0.62 0.62 0.00 -1.93 -2.47 103.07 97.97 3i1s h GLY 66 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 47.33 48.17 3i1s h GLY 66 CO 0.00 -0.73 -0.01 1.22 0.00 0.00 0.00 176.54 177.02 3i1s n ASP 67 N -2.77 0.44 -0.03 0.19 10.43 -0.54 -2.45 116.55 121.82 3i1s n ASP 67 Ca -0.00 -1.07 -0.22 0.00 2.57 0.00 0.00 54.79 56.07 3i1s n ASP 67 Cb 0.01 -0.02 -0.13 0.00 1.84 0.00 0.00 41.12 42.82 3i1s n ASP 67 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3i1s h LEU 68 N 0.67 0.27 -0.35 0.64 6.46 -1.56 -3.28 115.31 118.16 3i1s h LEU 68 Ca 0.00 -0.79 0.00 0.00 -0.12 0.00 0.00 57.88 56.97 3i1s h LEU 68 Cb 0.17 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 3i1s h LEU 68 CO 0.00 1.72 0.00 0.54 -0.62 0.00 0.00 178.44 180.08 3i1s n ARG 69 N -3.85 1.24 0.02 1.25 3.00 -0.95 -2.61 116.66 114.76 3i1s n ARG 69 Ca -0.32 -0.35 -0.18 0.00 -0.01 0.00 0.00 57.85 57.00 3i1s n ARG 69 Cb 0.91 -1.46 -0.13 0.00 0.00 0.00 0.00 32.46 31.78 3i1s n ARG 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3i1s h ARG 70 N 0.81 0.30 0.01 5.56 2.43 -1.57 -3.25 114.38 118.67 3i1s h ARG 70 Ca 0.00 -0.42 -0.32 0.00 -0.81 0.00 0.00 59.98 58.43 3i1s h ARG 70 Cb 0.17 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3i1s h ARG 70 CO 0.00 1.15 -1.75 0.39 -1.51 0.00 0.00 179.97 178.25 3i1s n GLU 71 N -4.23 0.59 -0.28 0.20 1.02 -1.21 -3.46 120.64 113.27 3i1s n GLU 71 Ca -0.12 0.44 -0.02 0.00 -0.02 0.00 0.00 57.16 57.45 3i1s n GLU 71 Cb 0.72 -1.66 0.11 0.00 -0.02 0.00 0.00 31.44 30.58 3i1s n GLU 71 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3i1s h ILE 72 N -0.86 1.08 0.00 -3.67 2.10 -1.74 0.25 117.51 114.67 3i1s h ILE 72 Ca -0.47 -0.32 -0.01 0.00 1.08 0.00 0.00 64.86 65.15 3i1s h ILE 72 Cb 1.49 0.07 -0.00 0.00 -1.09 0.00 0.00 36.82 37.29 3i1s h ILE 72 CO -0.24 0.17 -0.04 -1.28 -1.08 0.00 0.00 178.15 175.67 3i1s h SER 73 N 0.92 0.00 0.24 2.19 0.87 -1.74 -2.74 113.55 113.30 3i1s h SER 73 Ca 0.32 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 3i1s h SER 73 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3i1s h SER 73 CO -0.14 0.04 -0.11 -0.03 -0.53 0.00 0.00 176.83 176.06 3i1s h MET 74 N 0.00 -0.31 -0.97 2.24 1.85 -0.54 -2.73 114.93 114.48 3i1s h MET 74 Ca -0.00 0.02 0.27 0.00 -0.61 0.00 0.00 59.70 59.38 3i1s h MET 74 Cb 0.12 0.07 -0.05 0.00 0.43 0.00 0.00 31.60 32.17 3i1s h MET 74 CO 0.01 -0.12 0.68 0.66 -0.40 0.00 0.00 176.91 177.73 3i1s h SER 75 N -0.42 0.14 0.00 1.39 4.64 -1.34 0.16 113.55 118.11 3i1s h SER 75 Ca -0.03 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 3i1s h SER 75 Cb 0.32 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 3i1s h SER 75 CO 0.05 0.04 0.49 -0.38 -0.87 0.00 0.00 176.83 176.17 3i1s n ILE 76 N -4.35 2.17 0.00 0.95 5.41 -1.03 -1.05 119.36 121.47 3i1s n ILE 76 Ca 0.21 -1.14 0.00 0.00 1.00 0.00 0.00 62.75 62.82 3i1s n ILE 76 Cb 0.96 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 3i1s n ILE 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i1s n LYS 77 N 2.94 0.00 0.14 0.38 0.00 0.39 -4.91 118.16 117.10 3i1s n LYS 77 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.55 3i1s n LYS 77 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.50 3i1s n LYS 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3i1s h ARG 78 N 0.00 -0.41 -0.94 1.64 2.43 -0.62 -3.08 114.38 113.40 3i1s h ARG 78 Ca 0.00 0.03 0.24 0.00 -0.81 0.00 0.00 59.98 59.44 3i1s h ARG 78 Cb 0.00 0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 29.52 3i1s h ARG 78 CO 0.00 -0.16 0.46 -0.07 -1.51 0.00 0.00 179.97 178.70 3i1s h LEU 79 N -1.04 0.44 -2.85 3.80 3.38 -1.35 0.52 115.31 118.20 3i1s h LEU 79 Ca -0.04 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i1s h LEU 79 Cb 0.45 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3i1s h LEU 79 CO 0.07 0.01 0.00 0.23 0.09 0.00 0.00 178.44 178.84 3i1s n MET 80 N -5.01 0.93 -0.01 1.13 2.81 -1.17 -4.10 117.12 111.70 3i1s n MET 80 Ca 0.24 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 56.13 3i1s n MET 80 Cb 0.72 -1.04 -0.00 0.00 -0.71 0.00 0.00 33.22 32.19 3i1s n MET 80 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3i1s h ASP 81 N 0.99 -0.02 0.00 7.83 3.45 0.08 -3.46 116.42 125.29 3i1s h ASP 81 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i1s h ASP 81 Cb 0.93 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.70 3i1s h ASP 81 CO 0.00 0.14 0.00 0.18 -1.57 0.00 0.00 179.24 177.99 3i1s n LEU 82 N -2.92 0.00 -2.79 1.55 4.32 -1.26 -4.98 117.00 110.92 3i1s n LEU 82 Ca -0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.67 3i1s n LEU 82 Cb 0.01 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.78 3i1s n LEU 82 CO 0.01 0.00 1.71 0.61 -1.22 0.00 0.00 177.39 178.50 3i1s n GLY 83 N 5.00 4.79 3.75 -0.72 0.00 -1.26 -4.96 105.19 111.79 3i1s n GLY 83 Ca 0.00 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 3i1s n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1s h TYR 85 N 0.65 -0.60 -0.90 0.00 3.20 -1.94 -2.62 116.97 114.76 3i1s h TYR 85 Ca -0.50 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.48 3i1s h TYR 85 Cb 1.30 0.20 -0.09 0.00 1.54 0.00 0.00 36.73 39.68 3i1s h TYR 85 CO 0.46 -0.32 0.52 -0.09 -1.64 0.00 0.00 178.16 177.09 3i1s h ARG 86 N -0.76 0.76 -1.25 1.82 9.65 -1.93 0.68 114.38 123.37 3i1s h ARG 86 Ca -0.07 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3i1s h ARG 86 Cb 0.55 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3i1s h ARG 86 CO 0.11 0.51 0.00 0.41 2.80 0.00 0.00 179.97 183.79 3i1s n GLY 87 N -1.33 1.91 0.00 2.80 0.00 -1.02 0.12 105.19 107.67 3i1s n GLY 87 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i1s n GLY 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1s n LEU 88 N 0.72 0.03 0.06 0.99 4.77 0.22 -4.51 117.00 119.27 3i1s n LEU 88 Ca 0.00 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3i1s n LEU 88 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3i1s n LEU 88 CO 0.00 0.01 -0.08 0.54 -1.33 0.00 0.00 177.39 176.52 3i1s n ARG 89 N -0.11 0.00 0.32 3.23 5.12 -0.07 -4.18 116.66 120.97 3i1s n ARG 89 Ca 0.00 0.00 0.21 0.00 -1.93 0.00 0.00 57.85 56.13 3i1s n ARG 89 Cb 0.05 -0.38 1.04 0.00 -1.16 0.00 0.00 32.46 32.01 3i1s n ARG 89 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3i1s h HIS 90 N 0.00 0.00 -0.01 -1.55 2.76 0.77 0.23 115.15 117.35 3i1s h HIS 90 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3i1s h HIS 90 Cb 0.17 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.13 3i1s h HIS 90 CO 0.00 0.01 -0.26 2.89 -1.30 0.00 0.00 177.93 179.27 3i1s n ARG 91 N -3.15 1.69 0.00 5.26 -4.01 -1.25 -4.78 116.66 110.42 3i1s n ARG 91 Ca -0.02 -0.85 0.00 0.00 -1.04 0.00 0.00 57.85 55.94 3i1s n ARG 91 Cb 0.14 -1.23 0.00 0.00 -3.04 0.00 0.00 32.46 28.33 3i1s n ARG 91 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 3i1s n ARG 92 N -0.01 0.00 0.00 2.89 0.00 0.74 -5.00 116.66 115.28 3i1s n ARG 92 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 3i1s n ARG 92 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 32.46 32.71 3i1s n ARG 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1s n GLY 93 N 2.83 0.36 3.56 5.14 0.00 -0.76 -5.02 105.19 111.29 3i1s n GLY 93 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3i1s n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1s s LEU 94 N 0.00 3.02 0.00 0.99 1.02 -1.21 -4.27 118.68 118.23 3i1s s LEU 94 Ca 0.00 -0.25 -0.19 0.00 0.02 0.00 0.00 54.13 53.71 3i1s s LEU 94 Cb 0.00 -1.76 0.29 0.00 0.02 0.00 0.00 46.19 44.74 3i1s s LEU 94 CO 0.00 0.26 0.70 -0.81 0.02 0.00 0.00 176.35 176.52 3i1s n PRO 95 N 1.40 -4.02 0.00 1.29 -0.04 -1.26 -3.78 135.00 128.58 3i1s n PRO 95 Ca -0.15 -1.17 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 3i1s n PRO 95 Cb 0.52 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3i1s n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i1s n VAL 96 N -5.07 0.00 0.00 0.52 0.31 -1.26 -4.72 118.33 108.10 3i1s n VAL 96 Ca 0.11 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3i1s n VAL 96 Cb 0.46 0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 3i1s n VAL 96 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1s n ARG 97 N -0.50 0.00 0.00 5.55 0.63 -1.26 -4.80 116.66 116.28 3i1s n ARG 97 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i1s n ARG 97 Cb 0.00 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 31.59 3i1s n ARG 97 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1s n GLY 98 N -0.67 -1.27 0.00 5.14 0.00 -1.26 -5.15 105.19 101.98 3i1s n GLY 98 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3i1s n GLY 98 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1s n GLN 99 N 0.12 -2.04 -4.18 1.61 -0.06 -1.26 -5.01 117.38 106.56 3i1s n GLN 99 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.71 3i1s n GLN 99 Cb 0.00 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.09 3i1s n GLN 99 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 3i1s s ARG 100 N -2.00 2.34 0.03 3.69 1.70 -1.26 -5.03 118.95 118.42 3i1s s ARG 100 Ca 0.00 -0.97 0.18 0.00 -0.47 0.00 0.00 55.73 54.47 3i1s s ARG 100 Cb 0.00 -2.41 -0.16 0.00 -0.57 0.00 0.00 34.95 31.81 3i1s s ARG 100 CO 0.00 0.51 0.72 0.25 -1.08 0.00 0.00 175.30 175.70 3i1s n THR 101 N 0.49 1.08 -0.31 4.99 -2.24 -1.26 -4.39 114.28 112.64 3i1s n THR 101 Ca -0.12 -0.69 0.17 0.00 -2.27 0.00 0.00 64.05 61.15 3i1s n THR 101 Cb 0.53 -0.63 0.42 0.00 -2.10 0.00 0.00 70.33 68.55 3i1s n THR 101 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3i1s h LYS 102 N 0.00 0.55 -3.72 -0.78 1.57 -2.07 -3.45 116.57 108.68 3i1s h LYS 102 Ca -0.18 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 3i1s h LYS 102 Cb 1.58 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 33.69 3i1s h LYS 102 CO 0.04 0.37 -0.08 0.99 -0.57 0.00 0.00 179.45 180.20 3i1s s THR 103 N -5.64 0.00 -1.52 -0.16 2.01 -1.26 -4.99 115.64 104.08 3i1s s THR 103 Ca -0.10 -1.41 -0.05 0.00 0.31 0.00 0.00 61.69 60.44 3i1s s THR 103 Cb 0.24 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 70.27 3i1s s THR 103 CO 0.80 0.00 0.65 0.59 -0.69 0.00 0.00 174.62 175.96 3i1s n ASN 104 N -0.96 -6.10 0.00 3.53 3.02 -1.26 -4.81 115.26 108.68 3i1s n ASN 104 Ca -0.02 -0.30 0.01 0.00 -0.03 0.00 0.00 54.58 54.24 3i1s n ASN 104 Cb 0.61 -4.89 0.08 0.00 -0.61 0.00 0.00 39.78 34.97 3i1s n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1s n ALA 105 N -3.65 2.06 -0.30 5.41 0.00 -1.26 -4.01 120.51 118.76 3i1s n ALA 105 Ca -0.10 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.39 3i1s n ALA 105 Cb 0.61 -1.04 0.22 0.00 0.00 0.00 0.00 19.45 19.24 3i1s n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s h ARG 106 N 0.00 0.66 -0.98 0.00 2.47 -1.88 0.71 114.38 115.36 3i1s h ARG 106 Ca 0.00 -0.04 -0.26 0.00 -1.26 0.00 0.00 59.98 58.42 3i1s h ARG 106 Cb 0.00 -0.15 -0.15 0.00 -1.65 0.00 0.00 29.97 28.02 3i1s h ARG 106 CO 0.00 0.44 0.32 2.41 0.56 0.00 0.00 179.97 183.70 3i1s n THR 107 N -4.83 2.12 0.01 2.04 -1.04 -1.26 -3.59 114.28 107.75 3i1s n THR 107 Ca 0.17 -1.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.18 3i1s n THR 107 Cb 0.41 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 3i1s n THR 107 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i1s n ARG 108 N -0.32 0.00 0.00 -2.82 3.00 0.22 -4.88 116.66 111.86 3i1s n ARG 108 Ca 0.31 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 58.19 3i1s n ARG 108 Cb 1.10 0.00 0.20 0.00 0.00 0.00 0.00 32.46 33.76 3i1s n ARG 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i1s n LYS 109 N -2.56 0.71 0.00 -0.14 5.02 0.22 -4.99 118.16 116.43 3i1s n LYS 109 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1s n LYS 109 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3i1s n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1s n GLY 110 N 0.27 0.52 0.00 0.72 0.00 -1.18 -4.84 105.19 100.68 3i1s n GLY 110 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3i1s n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i1s n PRO 111 N 2.35 -0.06 -3.62 1.61 -0.04 -1.26 -3.89 135.00 130.09 3i1s n PRO 111 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 3i1s n PRO 111 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 3i1s n PRO 111 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3i1s s ARG 112 N -1.35 2.62 0.00 0.54 1.70 -1.26 -4.81 118.95 116.39 3i1s s ARG 112 Ca 0.00 -1.40 0.00 0.00 -0.47 0.00 0.00 55.73 53.86 3i1s s ARG 112 Cb 0.00 -3.74 0.00 0.00 -0.57 0.00 0.00 34.95 30.64 3i1s s ARG 112 CO 0.00 -0.90 0.00 0.36 -1.08 0.00 0.00 175.30 173.68