#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z h ARG 2 N 0.00 0.16 -5.41 0.00 0.11 -1.79 -3.38 114.38 104.07 3i1z h ARG 2 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3i1z h ARG 2 Cb 0.00 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.02 3i1z h ARG 2 CO 0.00 0.11 -0.34 0.44 0.10 0.00 0.00 179.97 180.27 3i1z n ILE 3 N -5.03 -3.68 0.00 0.08 -5.35 -1.26 -4.02 119.36 100.10 3i1z n ILE 3 Ca -0.03 0.70 0.00 0.00 -0.27 0.00 0.00 62.75 63.15 3i1z n ILE 3 Cb 0.06 -3.23 0.00 0.00 -1.74 0.00 0.00 39.64 34.73 3i1z n ILE 3 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1z n ALA 4 N 2.24 0.00 -2.68 -1.28 0.00 -1.26 -4.56 120.51 112.98 3i1z n ALA 4 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 3i1z n ALA 4 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 3i1z n ALA 4 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i1z s GLY 5 N 0.00 2.09 0.47 0.00 0.00 -1.26 -4.91 107.32 103.71 3i1z s GLY 5 Ca 0.00 0.29 0.26 0.00 0.00 0.00 0.00 44.72 45.27 3i1z s GLY 5 CO 0.00 2.02 1.07 0.29 0.00 0.00 0.00 173.10 176.48 3i1z n ILE 6 N 4.86 0.00 -1.52 0.90 -6.64 -1.26 -4.68 119.36 111.02 3i1z n ILE 6 Ca 0.10 1.03 -0.44 0.00 -1.77 0.00 0.00 62.75 61.67 3i1z n ILE 6 Cb 0.48 -1.82 -0.01 0.00 -1.44 0.00 0.00 39.64 36.85 3i1z n ILE 6 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 3i1z n ASN 7 N -2.99 0.20 -4.07 7.28 4.13 -1.26 -4.51 115.26 114.04 3i1z n ASN 7 Ca 0.23 1.08 -0.35 0.00 1.68 0.00 0.00 54.58 57.22 3i1z n ASN 7 Cb 1.31 -1.18 -0.11 0.00 -1.54 0.00 0.00 39.78 38.26 3i1z n ASN 7 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3i1z s ILE 8 N -1.18 3.40 0.02 2.41 1.01 -1.26 -3.97 121.20 121.63 3i1z s ILE 8 Ca 0.61 -2.93 -0.14 0.00 0.00 0.00 0.00 60.65 58.20 3i1z s ILE 8 Cb -0.71 -3.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 3i1z s ILE 8 CO 0.58 -0.83 0.41 -2.16 0.00 0.00 0.00 174.94 172.94 3i1z s PRO 9 N 0.04 3.89 -0.04 2.79 0.05 -1.26 -5.02 135.00 135.45 3i1z s PRO 9 Ca 0.16 0.38 -0.13 0.00 0.05 0.00 0.00 61.00 61.46 3i1z s PRO 9 Cb -0.22 -3.17 0.04 0.00 0.05 0.00 0.00 34.50 31.21 3i1z s PRO 9 CO -0.03 0.66 0.58 -3.47 0.05 0.00 0.00 177.00 174.79 3i1z n ASP 10 N 1.62 -0.43 -1.07 6.66 2.03 -1.26 -4.95 116.55 119.15 3i1z n ASP 10 Ca -0.13 -1.02 -0.14 0.00 0.52 0.00 0.00 54.79 54.03 3i1z n ASP 10 Cb 0.52 0.66 -0.06 0.00 -0.72 0.00 0.00 41.12 41.52 3i1z n ASP 10 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3i1z n HIS 11 N -0.42 0.00 -4.24 -0.67 8.25 -1.26 -4.96 115.22 111.92 3i1z n HIS 11 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 3i1z n HIS 11 Cb 0.24 -2.75 -0.10 0.00 1.12 0.00 0.00 29.99 28.51 3i1z n HIS 11 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3i1z s LYS 12 N -3.12 1.36 0.57 -0.41 1.02 -1.26 -5.12 119.74 112.78 3i1z s LYS 12 Ca 0.00 -1.74 -0.21 0.00 0.02 0.00 0.00 55.97 54.04 3i1z s LYS 12 Cb 0.00 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 3i1z s LYS 12 CO 0.00 -0.42 1.35 -1.01 -0.92 0.00 0.00 175.35 174.35 3i1z s HIS 13 N -3.93 2.21 0.36 3.18 3.76 -1.26 -4.50 115.29 115.11 3i1z s HIS 13 Ca 0.39 1.39 0.08 0.00 -0.15 0.00 0.00 55.06 56.77 3i1z s HIS 13 Cb 0.06 -3.80 0.81 0.00 1.11 0.00 0.00 32.58 30.77 3i1z s HIS 13 CO 0.15 -2.97 1.91 0.00 -0.85 0.00 0.00 174.74 172.98 3i1z h ALA 14 N 1.24 1.81 -0.30 -1.40 0.00 -1.69 0.87 119.26 119.79 3i1z h ALA 14 Ca -0.51 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3i1z h ALA 14 Cb 1.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3i1z h ALA 14 CO 0.56 0.00 -0.04 -0.39 0.00 0.00 0.00 179.25 179.39 3i1z h VAL 15 N 0.69 1.27 -0.00 0.00 -1.51 -1.46 -3.16 116.25 112.08 3i1z h VAL 15 Ca 0.39 -1.03 -0.23 0.00 -1.23 0.00 0.00 66.70 64.60 3i1z h VAL 15 Cb 0.55 1.34 0.01 0.00 -2.13 0.00 0.00 31.29 31.06 3i1z h VAL 15 CO -0.16 0.33 -0.96 0.40 -1.23 0.00 0.00 177.57 175.95 3i1z h ILE 16 N 0.33 1.38 -0.73 7.19 2.04 -1.49 -3.24 117.51 122.99 3i1z h ILE 16 Ca 0.08 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.54 3i1z h ILE 16 Cb 0.50 2.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.95 3i1z h ILE 16 CO 0.02 0.72 0.46 0.00 0.00 0.00 0.00 178.15 179.36 3i1z h ALA 17 N 0.67 0.92 -0.87 1.87 0.00 -0.97 -2.66 119.26 118.23 3i1z h ALA 17 Ca -0.09 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.90 3i1z h ALA 17 Cb 1.60 -0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 3i1z h ALA 17 CO 0.17 0.37 0.46 -0.07 0.00 0.00 0.00 179.25 180.18 3i1z h LEU 18 N 0.99 0.56 -1.95 0.00 -0.00 -1.57 -1.65 115.31 111.70 3i1z h LEU 18 Ca 0.26 0.09 0.11 0.00 -0.00 0.00 0.00 57.88 58.34 3i1z h LEU 18 Cb -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 3i1z h LEU 18 CO -0.05 0.23 0.45 0.71 -0.00 0.00 0.00 178.44 179.78 3i1z h THR 19 N 0.64 0.32 0.00 0.22 1.35 -1.57 -1.52 112.91 112.36 3i1z h THR 19 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 3i1z h THR 19 Cb 0.68 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3i1z h THR 19 CO -0.36 0.00 0.11 0.28 -0.25 0.00 0.00 175.52 175.29 3i1z h SER 20 N 0.00 0.00 -3.75 5.36 0.02 -1.43 -3.43 113.55 110.32 3i1z h SER 20 Ca 0.18 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.64 3i1z h SER 20 Cb 1.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 3i1z h SER 20 CO -0.00 0.00 0.30 -0.63 -1.14 0.00 0.00 176.83 175.36 3i1z s ILE 21 N -3.55 4.21 -1.61 3.27 1.09 -0.57 -4.95 121.20 119.09 3i1z s ILE 21 Ca -0.02 1.87 -0.10 0.00 -1.10 0.00 0.00 60.65 61.29 3i1z s ILE 21 Cb 0.06 -4.14 -0.08 0.00 -1.06 0.00 0.00 42.46 37.24 3i1z s ILE 21 CO 0.19 0.35 2.90 -1.22 -0.10 0.00 0.00 174.94 177.05 3i1z n TYR 22 N 1.09 2.53 0.00 3.97 4.02 -1.26 -2.86 117.16 124.65 3i1z n TYR 22 Ca -0.01 -3.09 0.00 0.00 -0.01 0.00 0.00 57.90 54.79 3i1z n TYR 22 Cb 0.49 -2.51 0.00 0.00 -0.02 0.00 0.00 39.34 37.30 3i1z n TYR 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1z n GLY 23 N 3.63 0.00 2.85 2.72 0.00 -1.26 0.09 105.19 113.22 3i1z n GLY 23 Ca 0.76 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.61 3i1z n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1z s VAL 24 N 0.00 0.25 0.00 1.61 -7.23 -1.13 -4.87 120.40 109.03 3i1z s VAL 24 Ca 0.00 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 3i1z s VAL 24 Cb 0.00 -0.31 0.00 0.00 0.56 0.00 0.00 36.38 36.63 3i1z s VAL 24 CO 0.00 0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 3i1z n GLY 25 N 3.89 4.55 0.31 2.32 0.00 -1.26 -4.68 105.19 110.32 3i1z n GLY 25 Ca -0.24 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 43.61 3i1z n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1z h LYS 26 N 0.00 1.04 -0.56 1.61 1.79 -1.97 0.26 116.57 118.74 3i1z h LYS 26 Ca 0.00 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 3i1z h LYS 26 Cb 0.00 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.39 3i1z h LYS 26 CO 0.00 0.69 0.12 1.15 -1.08 0.00 0.00 179.45 180.33 3i1z h THR 27 N 1.07 1.23 0.00 -0.16 2.02 -2.01 -2.19 112.91 112.88 3i1z h THR 27 Ca 0.30 -0.85 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 3i1z h THR 27 Cb -0.08 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3i1z h THR 27 CO -0.08 0.32 -0.47 0.03 0.37 0.00 0.00 175.52 175.69 3i1z h ARG 28 N 0.83 0.00 0.00 6.66 3.08 -1.88 -3.20 114.38 119.87 3i1z h ARG 28 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3i1z h ARG 28 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3i1z h ARG 28 CO 0.00 0.47 0.00 0.45 -1.07 0.00 0.00 179.97 179.82 3i1z n SER 29 N -3.22 0.00 -0.13 7.04 2.88 0.06 -3.48 113.62 116.77 3i1z n SER 29 Ca 0.02 0.28 -0.23 0.00 -1.33 0.00 0.00 58.87 57.60 3i1z n SER 29 Cb 0.72 -0.40 -0.11 0.00 -0.75 0.00 0.00 64.21 63.66 3i1z n SER 29 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i1z n LYS 30 N -1.40 0.63 0.00 -1.46 5.02 -1.12 -3.69 118.16 116.13 3i1z n LYS 30 Ca 0.07 0.22 0.04 0.00 -2.02 0.00 0.00 58.31 56.62 3i1z n LYS 30 Cb 0.19 -1.53 0.24 0.00 -0.02 0.00 0.00 35.03 33.91 3i1z n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1z n ALA 31 N -3.67 1.91 -0.39 7.82 0.00 -1.23 -1.64 120.51 123.31 3i1z n ALA 31 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3i1z n ALA 31 Cb 0.94 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3i1z n ALA 31 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1z n ILE 32 N -0.84 0.00 -0.23 0.00 2.08 -1.23 -4.21 119.36 114.94 3i1z n ILE 32 Ca 0.06 0.26 0.10 0.00 0.56 0.00 0.00 62.75 63.73 3i1z n ILE 32 Cb 0.03 -1.23 0.38 0.00 -0.75 0.00 0.00 39.64 38.06 3i1z n ILE 32 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3i1z h LEU 33 N 0.00 0.63 -0.34 1.39 3.38 -1.63 0.59 115.31 119.33 3i1z h LEU 33 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i1z h LEU 33 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3i1z h LEU 33 CO 0.00 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3i1z n ALA 34 N -2.45 2.59 0.49 1.53 0.00 -0.65 -0.38 120.51 121.64 3i1z n ALA 34 Ca 0.14 -0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.39 3i1z n ALA 34 Cb 0.38 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 18.60 3i1z n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1z n ALA 35 N -0.46 2.71 -2.23 0.00 0.00 0.20 -4.44 120.51 116.29 3i1z n ALA 35 Ca 0.15 -0.51 0.02 0.00 0.00 0.00 0.00 53.44 53.10 3i1z n ALA 35 Cb 0.15 -0.39 0.08 0.00 0.00 0.00 0.00 19.45 19.29 3i1z n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1z n ALA 36 N 0.16 2.95 -0.72 0.00 0.00 -0.98 -4.97 120.51 116.96 3i1z n ALA 36 Ca 0.06 -2.78 0.00 0.00 0.00 0.00 0.00 53.44 50.72 3i1z n ALA 36 Cb 0.26 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3i1z n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1z n GLY 37 N -0.19 0.07 3.74 0.00 0.00 -1.21 -4.92 105.19 102.68 3i1z n GLY 37 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3i1z n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1z s ILE 38 N -1.20 4.10 0.34 -0.61 -1.09 0.49 -4.99 121.20 118.25 3i1z s ILE 38 Ca 0.00 1.95 -0.06 0.00 -2.23 0.00 0.00 60.65 60.31 3i1z s ILE 38 Cb 0.00 -4.24 0.08 0.00 -1.58 0.00 0.00 42.46 36.72 3i1z s ILE 38 CO 0.00 0.40 0.34 0.00 -1.23 0.00 0.00 174.94 174.45 3i1z n ALA 39 N 1.96 -0.87 -0.07 9.38 0.00 -1.26 -3.90 120.51 125.74 3i1z n ALA 39 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 3i1z n ALA 39 Cb 0.47 -0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 3i1z n ALA 39 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i1z h GLU 40 N 0.00 0.00 -0.49 0.00 4.11 -1.96 -3.39 114.58 112.85 3i1z h GLU 40 Ca -0.12 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.07 3i1z h GLU 40 Cb 0.36 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.47 3i1z h GLU 40 CO 0.08 0.68 0.09 -0.40 0.07 0.00 0.00 179.01 179.53 3i1z n ASP 41 N -4.60 2.96 -4.57 3.06 3.85 -1.26 -1.23 116.55 114.76 3i1z n ASP 41 Ca -0.13 -3.65 -0.41 0.00 -0.71 0.00 0.00 54.79 49.89 3i1z n ASP 41 Cb 0.41 -0.67 -0.02 0.00 -1.35 0.00 0.00 41.12 39.48 3i1z n ASP 41 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3i1z s VAL 42 N -3.21 3.98 1.18 2.12 -7.23 -1.26 -4.48 120.40 111.49 3i1z s VAL 42 Ca 0.47 -1.29 -0.16 0.00 -1.81 0.00 0.00 61.98 59.19 3i1z s VAL 42 Cb 0.42 -5.06 0.21 0.00 0.56 0.00 0.00 36.38 32.51 3i1z s VAL 42 CO 0.03 -1.90 0.49 0.29 -0.31 0.00 0.00 175.10 173.71 3i1z n LYS 43 N 8.63 -2.31 0.00 4.82 5.02 -1.26 -4.14 118.16 128.91 3i1z n LYS 43 Ca 0.41 -0.66 0.14 0.00 -2.02 0.00 0.00 58.31 56.19 3i1z n LYS 43 Cb 0.48 -1.90 0.58 0.00 -0.02 0.00 0.00 35.03 34.18 3i1z n LYS 43 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i1z n ILE 44 N -4.81 0.00 -0.55 -0.18 -0.00 -1.26 -3.40 119.36 109.17 3i1z n ILE 44 Ca 0.02 -0.18 -0.03 0.00 -0.00 0.00 0.00 62.75 62.57 3i1z n ILE 44 Cb 0.58 0.27 -0.04 0.00 -0.00 0.00 0.00 39.64 40.45 3i1z n ILE 44 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 3i1z n SER 45 N -0.23 4.63 0.00 4.38 2.88 -1.26 -2.33 113.62 121.70 3i1z n SER 45 Ca 0.18 -2.26 0.00 0.00 -1.33 0.00 0.00 58.87 55.46 3i1z n SER 45 Cb 0.31 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 3i1z n SER 45 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i1z n GLU 46 N 1.83 0.00 -2.94 -1.46 4.07 -1.25 -5.10 120.64 115.79 3i1z n GLU 46 Ca 0.10 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.77 3i1z n GLU 46 Cb 0.53 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.86 3i1z n GLU 46 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3i1z s LEU 47 N 0.00 4.18 0.31 4.31 0.20 -0.98 -5.04 118.68 121.66 3i1z s LEU 47 Ca 0.00 0.08 -0.28 0.00 0.69 0.00 0.00 54.13 54.62 3i1z s LEU 47 Cb 0.00 -3.02 -0.09 0.00 -0.43 0.00 0.00 46.19 42.65 3i1z s LEU 47 CO 0.00 -0.87 1.02 -0.44 -0.29 0.00 0.00 176.35 175.77 3i1z s SER 48 N 2.06 7.23 0.25 3.68 0.01 -1.26 -4.85 113.70 120.82 3i1z s SER 48 Ca 0.31 2.06 -0.07 0.00 1.31 0.00 0.00 55.95 59.57 3i1z s SER 48 Cb -0.12 -2.60 0.46 0.00 0.21 0.00 0.00 66.02 63.96 3i1z s SER 48 CO 0.21 -0.15 1.62 -0.08 0.41 0.00 0.00 173.24 175.25 3i1z h GLU 49 N 3.42 0.08 -0.27 12.44 4.57 -1.96 0.93 114.58 133.79 3i1z h GLU 49 Ca -0.47 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 57.79 3i1z h GLU 49 Cb 1.21 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 3i1z h GLU 49 CO 0.66 0.05 0.44 0.78 -1.18 0.00 0.00 179.01 179.75 3i1z h GLY 50 N 0.08 0.00 0.48 1.92 0.00 -2.01 0.97 103.07 104.51 3i1z h GLY 50 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.63 3i1z h GLY 50 CO -0.72 0.00 -1.73 -0.18 0.00 0.00 0.00 176.54 173.91 3i1z n GLN 51 N -3.38 0.64 0.10 4.80 7.27 0.32 -4.21 117.38 122.92 3i1z n GLN 51 Ca 0.04 0.03 0.12 0.00 0.07 0.00 0.00 57.00 57.26 3i1z n GLN 51 Cb 0.57 -1.66 0.23 0.00 2.41 0.00 0.00 30.24 31.79 3i1z n GLN 51 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 3i1z h ILE 52 N 0.00 0.00 0.00 1.69 2.10 -0.14 -3.25 117.51 117.91 3i1z h ILE 52 Ca -0.17 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 65.17 3i1z h ILE 52 Cb 1.45 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 38.55 3i1z h ILE 52 CO 0.02 0.00 -0.16 -2.24 -1.08 0.00 0.00 178.15 174.69 3i1z h ASP 53 N 0.00 0.00 0.56 2.19 -0.00 -1.58 -2.18 116.42 115.41 3i1z h ASP 53 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 3i1z h ASP 53 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.13 3i1z h ASP 53 CO 0.00 0.01 0.00 0.35 -0.00 0.00 0.00 179.24 179.60 3i1z n THR 54 N -2.60 0.11 -0.10 1.15 -2.24 -1.22 -2.46 114.28 106.91 3i1z n THR 54 Ca 0.04 0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.74 3i1z n THR 54 Cb 0.48 -0.57 -0.14 0.00 -2.10 0.00 0.00 70.33 67.99 3i1z n THR 54 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i1z n LEU 55 N -1.31 0.67 0.14 3.22 4.77 -0.98 -3.83 117.00 119.68 3i1z n LEU 55 Ca 0.12 -0.03 0.05 0.00 -0.03 0.00 0.00 56.01 56.12 3i1z n LEU 55 Cb 0.23 0.17 0.49 0.00 -2.33 0.00 0.00 43.42 41.98 3i1z n LEU 55 CO 0.21 0.58 1.02 -0.09 -1.33 0.00 0.00 177.39 177.78 3i1z h ARG 56 N 0.00 0.22 0.03 3.23 2.43 -1.07 -2.40 114.38 116.81 3i1z h ARG 56 Ca -0.53 -0.03 -0.38 0.00 -0.81 0.00 0.00 59.98 58.24 3i1z h ARG 56 Cb 2.11 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 31.56 3i1z h ARG 56 CO 0.00 0.23 -2.33 -3.47 -1.51 0.00 0.00 179.97 172.89 3i1z n ASP 57 N -4.42 1.64 -0.18 -3.80 2.03 -1.13 -3.37 116.55 107.32 3i1z n ASP 57 Ca -0.01 -0.02 0.20 0.00 0.52 0.00 0.00 54.79 55.49 3i1z n ASP 57 Cb 0.15 -0.26 0.57 0.00 -0.72 0.00 0.00 41.12 40.86 3i1z n ASP 57 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3i1z h GLU 58 N 0.01 0.27 0.00 -0.67 4.57 -1.63 -1.80 114.58 115.33 3i1z h GLU 58 Ca -0.53 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.49 3i1z h GLU 58 Cb 1.99 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 30.49 3i1z h GLU 58 CO -0.03 0.18 -1.81 1.55 -1.18 0.00 0.00 179.01 177.72 3i1z n VAL 59 N -4.44 0.80 0.19 0.32 3.14 -0.92 -4.07 118.33 113.36 3i1z n VAL 59 Ca 0.17 -0.66 0.09 0.00 -2.96 0.00 0.00 64.34 60.98 3i1z n VAL 59 Cb 0.70 -0.39 0.44 0.00 -1.06 0.00 0.00 33.84 33.53 3i1z n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i1z n ALA 60 N -2.42 1.19 0.06 1.55 0.00 -0.68 -2.69 120.51 117.52 3i1z n ALA 60 Ca -0.13 0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3i1z n ALA 60 Cb 0.80 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 3i1z n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1z h LYS 61 N 0.00 -0.06 -7.48 0.00 1.57 -1.69 -3.44 116.57 105.48 3i1z h LYS 61 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3i1z h LYS 61 Cb 0.08 0.01 0.08 0.00 0.08 0.00 0.00 32.23 32.49 3i1z h LYS 61 CO 0.00 -0.01 0.39 0.12 -0.57 0.00 0.00 179.45 179.38 3i1z s PHE 62 N -6.06 3.20 -0.44 -1.35 5.36 -1.09 -5.03 117.98 112.57 3i1z s PHE 62 Ca -0.13 0.91 -0.17 0.00 -0.96 0.00 0.00 56.93 56.57 3i1z s PHE 62 Cb 0.06 -3.16 0.03 0.00 -0.34 0.00 0.00 43.02 39.61 3i1z s PHE 62 CO 0.66 -1.32 0.45 0.08 -1.46 0.00 0.00 175.22 173.64 3i1z s VAL 63 N -3.38 5.08 0.40 3.12 1.01 -1.26 -5.05 120.40 120.32 3i1z s VAL 63 Ca 0.59 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3i1z s VAL 63 Cb -0.11 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3i1z s VAL 63 CO 0.50 -0.50 0.13 0.68 0.00 0.00 0.00 175.10 175.91 3i1z s VAL 64 N 2.12 0.59 0.00 2.92 -7.23 -1.26 -4.56 120.40 112.98 3i1z s VAL 64 Ca 0.11 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 3i1z s VAL 64 Cb -0.19 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3i1z s VAL 64 CO 0.12 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.29 3i1z n GLU 65 N -0.89 0.00 -0.26 4.82 -0.58 0.11 -2.92 120.64 120.92 3i1z n GLU 65 Ca -0.05 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.63 3i1z n GLU 65 Cb 0.65 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.57 3i1z n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3i1z h GLY 66 N 0.00 1.07 1.75 0.62 0.00 -1.98 0.36 103.07 104.89 3i1z h GLY 66 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3i1z h GLY 66 CO 0.00 0.46 0.08 -0.55 0.00 0.00 0.00 176.54 176.53 3i1z h ASP 67 N 1.00 0.29 0.01 0.19 5.19 -1.96 0.98 116.42 122.12 3i1z h ASP 67 Ca 0.26 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 3i1z h ASP 67 Cb 0.01 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3i1z h ASP 67 CO -0.04 0.29 -0.00 0.25 -3.12 0.00 0.00 179.24 176.61 3i1z h LEU 68 N 0.33 -0.01 -0.86 1.55 5.85 -1.01 -2.96 115.31 118.21 3i1z h LEU 68 Ca 0.08 -0.84 0.22 0.00 0.84 0.00 0.00 57.88 58.18 3i1z h LEU 68 Cb 0.10 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.98 3i1z h LEU 68 CO -0.01 0.89 0.08 0.03 -0.34 0.00 0.00 178.44 179.10 3i1z h ARG 69 N -0.96 0.11 -0.01 1.25 2.47 -0.28 1.54 114.38 118.49 3i1z h ARG 69 Ca -0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3i1z h ARG 69 Cb 0.85 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.14 3i1z h ARG 69 CO 0.00 0.07 -0.00 -2.13 0.56 0.00 0.00 179.97 178.47 3i1z n ARG 70 N -5.35 -0.00 0.12 0.04 0.63 0.33 0.06 116.66 112.49 3i1z n ARG 70 Ca 0.19 0.07 -0.24 0.00 -0.92 0.00 0.00 57.85 56.95 3i1z n ARG 70 Cb 0.62 -0.11 -0.16 0.00 0.45 0.00 0.00 32.46 33.26 3i1z n ARG 70 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3i1z h GLU 71 N 0.00 0.48 0.29 -0.14 4.22 0.22 0.13 114.58 119.78 3i1z h GLU 71 Ca 0.00 -0.82 -0.01 0.00 0.08 0.00 0.00 59.36 58.60 3i1z h GLU 71 Cb 0.00 0.31 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3i1z h GLU 71 CO -0.01 1.39 -0.14 0.82 -2.18 0.00 0.00 179.01 178.89 3i1z h ILE 72 N 0.13 0.75 0.00 2.32 2.04 -0.54 -1.92 117.51 120.29 3i1z h ILE 72 Ca -0.27 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3i1z h ILE 72 Cb 2.14 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3i1z h ILE 72 CO 0.24 0.08 0.00 -1.20 0.00 0.00 0.00 178.15 177.27 3i1z n SER 73 N -5.17 0.00 -0.02 1.72 7.64 0.11 -1.70 113.62 116.20 3i1z n SER 73 Ca -0.10 0.11 -0.21 0.00 1.01 0.00 0.00 58.87 59.68 3i1z n SER 73 Cb 0.23 -0.26 -0.14 0.00 -1.01 0.00 0.00 64.21 63.04 3i1z n SER 73 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 3i1z n MET 74 N -1.26 0.74 -0.23 1.43 1.56 0.41 -3.38 117.12 116.39 3i1z n MET 74 Ca 0.05 0.25 -0.07 0.00 -0.27 0.00 0.00 57.70 57.66 3i1z n MET 74 Cb 0.07 -1.68 0.04 0.00 2.15 0.00 0.00 33.22 33.80 3i1z n MET 74 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3i1z h SER 75 N 0.04 0.85 -0.04 6.12 4.64 -0.56 -0.43 113.55 124.17 3i1z h SER 75 Ca -0.45 -0.13 0.04 0.00 -0.47 0.00 0.00 61.79 60.78 3i1z h SER 75 Cb 2.00 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 63.83 3i1z h SER 75 CO 0.06 0.74 -0.25 0.40 -0.87 0.00 0.00 176.83 176.90 3i1z h ILE 76 N 0.90 0.42 -0.85 0.95 2.04 -1.62 0.83 117.51 120.17 3i1z h ILE 76 Ca 0.22 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.28 3i1z h ILE 76 Cb 0.11 0.42 -0.12 0.00 -0.74 0.00 0.00 36.82 36.49 3i1z h ILE 76 CO -0.03 0.00 0.35 0.50 0.00 0.00 0.00 178.15 178.97 3i1z h LYS 77 N -0.37 0.40 0.04 2.37 3.64 -1.51 -1.64 116.57 119.50 3i1z h LYS 77 Ca 0.07 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3i1z h LYS 77 Cb 0.47 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3i1z h LYS 77 CO -0.25 0.26 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.04 3i1z h ARG 78 N 0.41 -0.12 -0.61 1.90 2.43 0.74 -1.69 114.38 117.45 3i1z h ARG 78 Ca 0.51 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.76 3i1z h ARG 78 Cb 0.91 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.43 3i1z h ARG 78 CO -0.50 -0.08 0.28 -0.07 -1.51 0.00 0.00 179.97 178.09 3i1z h LEU 79 N -0.12 0.35 -0.31 3.80 3.38 -0.01 -1.41 115.31 121.00 3i1z h LEU 79 Ca 0.01 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3i1z h LEU 79 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3i1z h LEU 79 CO -0.04 0.22 -0.02 0.24 0.09 0.00 0.00 178.44 178.94 3i1z h MET 80 N 0.50 0.55 0.00 1.13 2.86 -1.20 -2.55 114.93 116.22 3i1z h MET 80 Ca 0.29 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3i1z h MET 80 Cb 0.29 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 3i1z h MET 80 CO -0.24 0.70 -0.09 -0.44 1.06 0.00 0.00 176.91 177.90 3i1z h ASP 81 N 0.34 0.00 -0.39 1.22 3.45 -1.00 -0.70 116.42 119.34 3i1z h ASP 81 Ca 0.08 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.41 3i1z h ASP 81 Cb 0.47 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 3i1z h ASP 81 CO 0.02 0.09 -0.29 -0.07 -1.57 0.00 0.00 179.24 177.42 3i1z h LEU 82 N 0.00 0.95 0.26 1.55 3.38 -0.89 -3.48 115.31 117.09 3i1z h LEU 82 Ca -0.00 -0.39 -0.15 0.00 0.09 0.00 0.00 57.88 57.43 3i1z h LEU 82 Cb 0.31 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.81 3i1z h LEU 82 CO 0.01 1.17 -0.21 0.61 0.09 0.00 0.00 178.44 180.11 3i1z n GLY 83 N -0.04 0.21 0.00 0.83 0.00 -0.27 -5.04 105.19 100.88 3i1z n GLY 83 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3i1z n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1z n TYR 85 N 0.00 0.00 -0.41 0.00 9.36 -1.26 -4.25 117.16 120.60 3i1z n TYR 85 Ca 0.00 0.00 0.36 0.00 3.32 0.00 0.00 57.90 61.58 3i1z n TYR 85 Cb 0.00 0.00 0.62 0.00 -0.63 0.00 0.00 39.34 39.33 3i1z n TYR 85 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3i1z n ARG 86 N -1.93 -0.04 0.29 2.98 1.74 -1.26 0.15 116.66 118.59 3i1z n ARG 86 Ca 0.00 1.21 -0.17 0.00 -0.77 0.00 0.00 57.85 58.13 3i1z n ARG 86 Cb 0.00 -2.34 -0.08 0.00 -1.02 0.00 0.00 32.46 29.02 3i1z n ARG 86 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3i1z h GLY 87 N 0.00 -0.81 0.29 -0.13 0.00 -1.82 -0.79 103.07 99.82 3i1z h GLY 87 Ca 0.83 0.33 0.07 0.00 0.00 0.00 0.00 47.33 48.56 3i1z h GLY 87 CO -0.51 -0.30 -0.07 1.41 0.00 0.00 0.00 176.54 177.08 3i1z h LEU 88 N -0.76 -0.29 -0.54 3.11 3.38 0.12 0.17 115.31 120.49 3i1z h LEU 88 Ca -0.06 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3i1z h LEU 88 Cb 0.61 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 3i1z h LEU 88 CO 0.08 -0.10 0.28 0.03 0.09 0.00 0.00 178.44 178.81 3i1z h ARG 89 N 0.03 0.53 0.00 1.13 2.47 -1.31 0.53 114.38 117.75 3i1z h ARG 89 Ca 0.18 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.84 3i1z h ARG 89 Cb 0.27 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3i1z h ARG 89 CO -0.37 0.35 -0.13 0.45 0.56 0.00 0.00 179.97 180.84 3i1z h HIS 90 N 0.54 0.00 0.00 3.04 3.86 -0.23 0.46 115.15 122.82 3i1z h HIS 90 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3i1z h HIS 90 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3i1z h HIS 90 CO -0.10 0.13 -0.39 -2.13 0.86 0.00 0.00 177.93 176.30 3i1z n ARG 91 N -4.33 0.04 -0.00 2.45 0.63 0.50 -3.90 116.66 112.03 3i1z n ARG 91 Ca -0.03 0.01 0.06 0.00 -0.92 0.00 0.00 57.85 56.98 3i1z n ARG 91 Cb 0.20 -1.53 -0.08 0.00 0.45 0.00 0.00 32.46 31.50 3i1z n ARG 91 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i1z n ARG 92 N -1.59 1.41 -2.70 -0.14 1.74 0.17 -5.02 116.66 110.52 3i1z n ARG 92 Ca 0.06 -0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 3i1z n ARG 92 Cb 0.35 -1.20 0.04 0.00 -1.02 0.00 0.00 32.46 30.63 3i1z n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1z n GLY 93 N 1.61 0.11 3.33 -0.13 0.00 0.15 -5.04 105.19 105.22 3i1z n GLY 93 Ca -0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 3i1z n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1z s LEU 94 N -3.96 2.22 -0.39 0.99 1.43 -0.93 -4.06 118.68 113.98 3i1z s LEU 94 Ca 0.04 -1.21 -0.38 0.00 -1.03 0.00 0.00 54.13 51.55 3i1z s LEU 94 Cb -0.02 -0.30 -0.14 0.00 0.03 0.00 0.00 46.19 45.77 3i1z s LEU 94 CO 0.33 -0.49 2.13 -0.81 0.23 0.00 0.00 176.35 177.74 3i1z n PRO 95 N -0.42 0.74 0.05 1.29 -0.04 -1.26 -4.65 135.00 130.71 3i1z n PRO 95 Ca -0.05 0.21 -0.05 0.00 -0.04 0.00 0.00 63.50 63.57 3i1z n PRO 95 Cb 0.64 -2.13 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 3i1z n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i1z h VAL 96 N 6.90 1.17 -0.49 0.52 2.07 -1.91 -3.32 116.25 121.19 3i1z h VAL 96 Ca -0.24 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.46 3i1z h VAL 96 Cb 1.35 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 3i1z h VAL 96 CO 1.04 0.67 0.00 0.54 0.02 0.00 0.00 177.57 179.83 3i1z n ARG 97 N -3.18 3.62 -0.40 1.57 1.74 -1.26 -4.80 116.66 113.94 3i1z n ARG 97 Ca -0.05 -2.38 0.00 0.00 -0.77 0.00 0.00 57.85 54.64 3i1z n ARG 97 Cb 0.92 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3i1z n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1z n GLY 98 N 0.75 0.85 3.55 -0.13 0.00 -1.25 -5.03 105.19 103.94 3i1z n GLY 98 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 3i1z n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1z n GLN 99 N -2.00 1.09 -1.29 1.61 3.00 -1.26 -4.82 117.38 113.71 3i1z n GLN 99 Ca 0.00 0.38 -0.36 0.00 -0.01 0.00 0.00 57.00 57.01 3i1z n GLN 99 Cb 0.00 -1.71 0.07 0.00 0.00 0.00 0.00 30.24 28.59 3i1z n GLN 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 3i1z n ARG 100 N 0.69 0.34 -0.04 -1.09 1.85 -1.26 -4.77 116.66 112.39 3i1z n ARG 100 Ca 0.11 0.16 -0.02 0.00 -1.00 0.00 0.00 57.85 57.09 3i1z n ARG 100 Cb 0.33 -1.84 -0.08 0.00 -1.05 0.00 0.00 32.46 29.82 3i1z n ARG 100 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3i1z n THR 101 N -2.31 0.50 -0.36 8.89 -2.24 -1.26 -4.60 114.28 112.90 3i1z n THR 101 Ca 0.10 -0.36 0.26 0.00 -2.27 0.00 0.00 64.05 61.78 3i1z n THR 101 Cb 0.50 -0.51 0.52 0.00 -2.10 0.00 0.00 70.33 68.74 3i1z n THR 101 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3i1z h LYS 102 N 0.00 0.31 -2.54 -0.78 3.64 -2.01 -3.43 116.57 111.76 3i1z h LYS 102 Ca -0.20 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 3i1z h LYS 102 Cb 1.33 -0.07 -0.16 0.00 -0.41 0.00 0.00 32.23 32.92 3i1z h LYS 102 CO 0.01 0.21 0.16 0.95 -2.27 0.00 0.00 179.45 178.51 3i1z s THR 103 N -5.51 0.01 -0.28 1.00 -4.23 -1.26 -5.08 115.64 100.28 3i1z s THR 103 Ca -0.09 -0.06 -0.00 0.00 -1.18 0.00 0.00 61.69 60.36 3i1z s THR 103 Cb 0.28 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 73.12 3i1z s THR 103 CO 0.80 -0.03 0.00 0.59 -0.54 0.00 0.00 174.62 175.44 3i1z n ASN 104 N 0.33 -7.47 -0.71 3.99 3.02 -1.26 -4.80 115.26 108.36 3i1z n ASN 104 Ca -0.18 1.30 -0.01 0.00 -0.03 0.00 0.00 54.58 55.66 3i1z n ASN 104 Cb 0.61 -4.94 -0.02 0.00 -0.61 0.00 0.00 39.78 34.82 3i1z n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1z n ALA 105 N 0.63 2.48 0.06 5.41 0.00 -1.26 -4.79 120.51 123.04 3i1z n ALA 105 Ca 0.00 -0.54 0.21 0.00 0.00 0.00 0.00 53.44 53.11 3i1z n ALA 105 Cb 0.00 -0.23 0.63 0.00 0.00 0.00 0.00 19.45 19.85 3i1z n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1z h ARG 106 N 0.08 0.00 0.00 0.00 2.47 -1.95 0.12 114.38 115.10 3i1z h ARG 106 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3i1z h ARG 106 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 3i1z h ARG 106 CO -0.07 0.00 0.00 2.41 0.56 0.00 0.00 179.97 182.87 3i1z n THR 107 N -3.39 0.00 0.05 2.04 -1.04 -1.26 -2.18 114.28 108.50 3i1z n THR 107 Ca 0.10 0.65 0.02 0.00 -2.04 0.00 0.00 64.05 62.78 3i1z n THR 107 Cb 0.86 -1.60 0.39 0.00 -1.82 0.00 0.00 70.33 68.16 3i1z n THR 107 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3i1z h ARG 108 N 0.00 0.41 0.14 -2.82 9.65 -1.88 -3.25 114.38 116.64 3i1z h ARG 108 Ca 0.00 -0.06 -0.21 0.00 -1.10 0.00 0.00 59.98 58.61 3i1z h ARG 108 Cb 0.00 -0.07 0.02 0.00 -1.39 0.00 0.00 29.97 28.53 3i1z h ARG 108 CO 0.00 0.40 -0.89 -0.22 2.80 0.00 0.00 179.97 182.06 3i1z h LYS 109 N 0.41 0.35 0.00 0.20 3.64 -0.91 -3.40 116.57 116.85 3i1z h LYS 109 Ca 0.10 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3i1z h LYS 109 Cb 0.19 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3i1z h LYS 109 CO -0.00 1.26 0.00 0.41 -2.27 0.00 0.00 179.45 178.85 3i1z n GLY 110 N 1.61 2.62 3.76 5.01 0.00 -0.92 -4.98 105.19 112.30 3i1z n GLY 110 Ca -0.14 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 3i1z n GLY 110 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i1z s PRO 111 N -3.28 3.59 0.74 1.61 0.02 -1.26 -4.73 135.00 131.70 3i1z s PRO 111 Ca 0.00 2.31 -0.11 0.00 0.02 0.00 0.00 61.00 63.22 3i1z s PRO 111 Cb 0.00 -2.56 0.04 0.00 0.02 0.00 0.00 34.50 32.00 3i1z s PRO 111 CO 0.00 -0.86 1.08 -0.98 -0.33 0.00 0.00 177.00 175.91 3i1z s ARG 112 N -2.55 2.54 -0.28 5.54 1.70 -1.26 -4.99 118.95 119.66 3i1z s ARG 112 Ca 0.63 0.77 -0.27 0.00 -0.47 0.00 0.00 55.73 56.39 3i1z s ARG 112 Cb -0.42 -1.96 0.01 0.00 -0.57 0.00 0.00 34.95 32.01 3i1z s ARG 112 CO 0.52 -1.33 0.98 0.15 -1.08 0.00 0.00 175.30 174.54 3i1z s LYS 113 N -5.12 4.11 0.00 3.89 -0.14 -1.26 -5.27 119.74 115.95 3i1z s LYS 113 Ca 0.59 1.04 0.00 0.00 -1.36 0.00 0.00 55.97 56.24 3i1z s LYS 113 Cb -0.14 -3.70 0.00 0.00 -1.68 0.00 0.00 37.83 32.31 3i1z s LYS 113 CO 0.54 -0.74 0.45 -2.30 -0.76 0.00 0.00 175.35 172.55