#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iir n PRO 2 N 0.00 0.65 -2.57 -0.24 -0.04 -1.26 -0.40 135.00 131.14 3iir n PRO 2 Ca 0.00 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 3iir n PRO 2 Cb 0.00 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 30.94 3iir n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iir s LEU 3 N -5.02 4.28 0.17 1.53 1.02 -0.20 -4.61 118.68 115.85 3iir s LEU 3 Ca 0.78 1.70 -0.16 0.00 0.02 0.00 0.00 54.13 56.48 3iir s LEU 3 Cb -0.34 -3.56 -0.07 0.00 0.02 0.00 0.00 46.19 42.24 3iir s LEU 3 CO 0.45 -0.49 0.60 -0.76 0.02 0.00 0.00 176.35 176.17 3iir s LEU 4 N 1.93 4.34 0.00 1.79 2.01 -1.26 -1.32 118.68 126.17 3iir s LEU 4 Ca 0.53 1.18 -0.00 0.00 0.01 0.00 0.00 54.13 55.85 3iir s LEU 4 Cb -0.22 -3.35 0.11 0.00 0.01 0.00 0.00 46.19 42.74 3iir s LEU 4 CO 0.21 0.09 0.73 -0.90 1.01 0.00 0.00 176.35 177.50 3iir n ASP 5 N 0.80 1.00 0.26 2.29 5.68 -0.22 -4.63 116.55 121.74 3iir n ASP 5 Ca -0.05 -1.84 0.11 0.00 -0.50 0.00 0.00 54.79 52.52 3iir n ASP 5 Cb 0.52 -0.47 0.73 0.00 -1.14 0.00 0.00 41.12 40.75 3iir n ASP 5 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3iir h ILE 6 N -0.54 0.70 0.00 2.12 2.10 -1.53 -0.79 117.51 119.58 3iir h ILE 6 Ca -0.24 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.33 3iir h ILE 6 Cb 0.90 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.85 3iir h ILE 6 CO 0.26 0.09 -0.34 0.59 -1.08 0.00 0.00 178.15 177.67 3iir n ASN 7 N -3.90 0.75 0.00 2.19 3.02 -1.26 -4.93 115.26 111.12 3iir n ASN 7 Ca -0.02 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 3iir n ASN 7 Cb 0.19 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3iir n ASN 7 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iir n GLY 8 N 1.33 0.49 3.81 7.41 0.00 -0.30 -5.10 105.19 112.83 3iir n GLY 8 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3iir n GLY 8 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iir s ASN 9 N -2.03 6.13 0.51 1.61 0.02 -1.26 -4.67 114.94 115.24 3iir s ASN 9 Ca 0.00 1.75 -0.21 0.00 -1.02 0.00 0.00 52.86 53.38 3iir s ASN 9 Cb 0.00 -2.53 -0.06 0.00 0.02 0.00 0.00 41.25 38.68 3iir s ASN 9 CO 0.00 -0.93 1.17 0.68 0.02 0.00 0.00 177.10 178.04 3iir s VAL 10 N -2.45 3.00 -0.10 1.60 -7.23 -1.26 -1.05 120.40 112.90 3iir s VAL 10 Ca 0.63 0.69 -0.23 0.00 -1.81 0.00 0.00 61.98 61.26 3iir s VAL 10 Cb -0.14 -3.32 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 3iir s VAL 10 CO 0.33 -0.06 0.69 -0.69 -0.31 0.00 0.00 175.10 175.05 3iir s VAL 11 N -1.60 5.03 0.09 1.32 1.01 -0.44 -4.82 120.40 120.99 3iir s VAL 11 Ca 0.69 1.39 0.05 0.00 0.00 0.00 0.00 61.98 64.11 3iir s VAL 11 Cb -0.28 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3iir s VAL 11 CO 0.33 0.21 -0.02 -1.61 0.00 0.00 0.00 175.10 174.01 3iir s GLU 12 N 1.13 2.47 0.40 2.72 2.02 -1.26 -1.32 118.70 124.86 3iir s GLU 12 Ca 0.35 -0.87 0.20 0.00 0.02 0.00 0.00 54.97 54.67 3iir s GLU 12 Cb -0.17 -2.50 0.82 0.00 0.10 0.00 0.00 34.13 32.38 3iir s GLU 12 CO 0.16 0.53 1.80 0.00 0.02 0.00 0.00 175.26 177.77 3iir h ALA 13 N 3.47 1.07 -0.39 5.21 0.00 -1.56 -3.09 119.26 123.96 3iir h ALA 13 Ca -0.48 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3iir h ALA 13 Cb 1.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3iir h ALA 13 CO 0.58 0.40 0.00 -1.13 0.00 0.00 0.00 179.25 179.10 3iir n SER 14 N -3.57 3.19 -4.79 0.00 3.41 -1.26 -4.61 113.62 105.98 3iir n SER 14 Ca -0.01 -1.95 -0.31 0.00 -0.26 0.00 0.00 58.87 56.34 3iir n SER 14 Cb 0.45 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 3iir n SER 14 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iir s ARG 15 N -1.49 2.96 0.13 4.33 0.52 -1.17 -5.12 118.95 119.11 3iir s ARG 15 Ca 0.38 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.81 3iir s ARG 15 Cb 0.22 -2.78 -0.07 0.00 0.52 0.00 0.00 34.95 32.85 3iir s ARG 15 CO 0.31 0.58 0.53 -0.51 0.02 0.00 0.00 175.30 176.23 3iir s ASP 16 N -2.30 6.83 0.04 0.23 1.01 -1.26 -4.70 116.67 116.51 3iir s ASP 16 Ca 0.29 1.06 0.00 0.00 0.71 0.00 0.00 52.55 54.61 3iir s ASP 16 Cb -0.12 -2.28 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 3iir s ASP 16 CO 0.21 0.14 -0.04 -0.31 0.21 0.00 0.00 175.17 175.38 3iir s TYR 17 N -1.41 0.44 -0.04 4.23 1.51 0.74 -4.18 117.35 118.63 3iir s TYR 17 Ca 0.36 -0.71 -0.00 0.00 -1.01 0.00 0.00 57.07 55.70 3iir s TYR 17 Cb -0.15 -0.30 -0.03 0.00 -0.11 0.00 0.00 41.96 41.36 3iir s TYR 17 CO 0.19 -0.23 0.01 0.71 -1.11 0.00 0.00 175.55 175.11 3iir s TYR 18 N -2.33 3.13 -0.26 2.71 2.02 0.41 -0.26 117.35 122.76 3iir s TYR 18 Ca -0.06 0.14 -0.06 0.00 -0.37 0.00 0.00 57.07 56.71 3iir s TYR 18 Cb -0.04 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3iir s TYR 18 CO -0.04 0.47 0.05 -0.51 -1.57 0.00 0.00 175.55 173.95 3iir s LEU 19 N -1.23 3.49 0.05 -1.29 1.43 -1.26 -0.12 118.68 119.74 3iir s LEU 19 Ca 0.17 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3iir s LEU 19 Cb -0.11 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 3iir s LEU 19 CO 0.06 -0.10 -0.15 -0.69 0.23 0.00 0.00 176.35 175.71 3iir s VAL 20 N 1.53 1.20 0.25 -1.59 1.01 -0.79 -2.66 120.40 119.36 3iir s VAL 20 Ca 0.05 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 3iir s VAL 20 Cb -0.16 -1.09 -0.10 0.00 0.00 0.00 0.00 36.38 35.03 3iir s VAL 20 CO 0.01 -0.03 1.45 -0.44 0.00 0.00 0.00 175.10 176.10 3iir s SER 21 N -1.30 6.63 -0.21 3.32 0.01 -1.19 -0.02 113.70 120.93 3iir s SER 21 Ca 0.02 2.69 -0.02 0.00 1.31 0.00 0.00 55.95 59.95 3iir s SER 21 Cb -0.08 -2.62 0.07 0.00 0.21 0.00 0.00 66.02 63.59 3iir s SER 21 CO 0.02 -0.72 0.04 0.54 0.41 0.00 0.00 173.24 173.52 3iir s VAL 22 N -0.03 0.65 -0.04 3.43 0.11 -1.13 -4.23 120.40 119.15 3iir s VAL 22 Ca 0.59 -0.73 0.06 0.00 -2.93 0.00 0.00 61.98 58.98 3iir s VAL 22 Cb -0.42 -1.18 -0.01 0.00 -1.53 0.00 0.00 36.38 33.23 3iir s VAL 22 CO 0.44 -0.27 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.08 3iir s ILE 23 N 1.79 1.89 0.00 7.04 1.01 -1.26 -4.44 121.20 127.23 3iir s ILE 23 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3iir s ILE 23 Cb -0.17 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.71 3iir s ILE 23 CO -0.11 0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.98 3iir n GLY 24 N 2.77 2.34 7.00 6.18 0.00 -1.26 -5.00 105.19 117.23 3iir n GLY 24 Ca -0.17 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.90 3iir n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iir n GLY 25 N 1.05 2.31 0.00 -0.02 0.00 -1.26 -4.52 105.19 102.76 3iir n GLY 25 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3iir n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iir n ALA 26 N 9.85 0.00 -3.35 4.61 0.00 -1.26 -2.91 120.51 127.45 3iir n ALA 26 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 3iir n ALA 26 Cb 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 3iir n ALA 26 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iir s GLY 27 N 0.00 2.66 0.00 0.00 0.00 -1.26 -4.81 107.32 103.91 3iir s GLY 27 Ca 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 44.72 41.40 3iir s GLY 27 CO 0.00 1.25 0.00 0.61 0.00 0.00 0.00 173.10 174.96 3iir n GLY 28 N 3.94 -0.47 0.00 0.20 0.00 -1.15 -4.20 105.19 103.51 3iir n GLY 28 Ca 0.13 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.94 3iir n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iir n GLY 29 N 0.00 6.53 1.35 -0.02 0.00 -0.72 -3.22 105.19 109.11 3iir n GLY 29 Ca 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 3iir n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iir n GLY 30 N 5.00 -0.08 3.63 -0.02 0.00 0.14 -3.17 105.19 110.68 3iir n GLY 30 Ca 0.00 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 3iir n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iir s LEU 31 N 0.00 3.55 0.00 0.99 1.02 -1.09 0.24 118.68 123.40 3iir s LEU 31 Ca 0.24 0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.46 3iir s LEU 31 Cb -0.01 -1.84 -0.00 0.00 0.02 0.00 0.00 46.19 44.36 3iir s LEU 31 CO 0.17 0.28 0.26 1.07 0.02 0.00 0.00 176.35 178.14 3iir n THR 32 N 2.79 0.00 -3.73 5.49 5.66 0.11 -1.79 114.28 122.81 3iir n THR 32 Ca -0.18 -1.19 -0.36 0.00 -3.05 0.00 0.00 64.05 59.28 3iir n THR 32 Cb 0.53 0.68 -0.06 0.00 -1.55 0.00 0.00 70.33 69.93 3iir n THR 32 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3iir s LEU 33 N 0.00 4.39 0.04 1.09 1.43 -1.26 -1.33 118.68 123.04 3iir s LEU 33 Ca 0.19 0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3iir s LEU 33 Cb -0.00 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 3iir s LEU 33 CO 0.14 0.30 -0.04 -0.47 0.23 0.00 0.00 176.35 176.51 3iir s TYR 34 N -1.21 0.49 0.60 0.29 5.04 0.32 -4.87 117.35 118.00 3iir s TYR 34 Ca 0.24 -0.80 -0.19 0.00 -2.44 0.00 0.00 57.07 53.88 3iir s TYR 34 Cb -0.14 -0.34 -0.05 0.00 0.35 0.00 0.00 41.96 41.79 3iir s TYR 34 CO 0.13 -0.26 1.01 2.89 -1.34 0.00 0.00 175.55 177.99 3iir n ARG 35 N 0.75 0.96 -1.12 4.97 1.85 -1.26 0.75 116.66 123.57 3iir n ARG 35 Ca -0.18 0.37 -0.30 0.00 -1.00 0.00 0.00 57.85 56.74 3iir n ARG 35 Cb 0.58 -2.22 0.15 0.00 -1.05 0.00 0.00 32.46 29.92 3iir n ARG 35 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3iir s GLY 36 N -1.23 1.62 -0.06 2.89 0.00 -0.64 -4.30 107.32 105.59 3iir s GLY 36 Ca 0.76 -0.01 -0.24 0.00 0.00 0.00 0.00 44.72 45.23 3iir s GLY 36 CO 0.47 0.49 0.93 3.21 0.00 0.00 0.00 173.10 178.20 3iir h ARG 37 N -1.65 0.21 -0.27 2.90 3.08 -1.90 -3.36 114.38 113.39 3iir h ARG 37 Ca -0.50 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.27 3iir h ARG 37 Cb 1.28 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3iir h ARG 37 CO 0.53 1.07 0.00 0.09 -1.07 0.00 0.00 179.97 180.59 3iir n ASN 38 N -4.36 3.23 -3.62 7.04 3.02 -1.26 -4.99 115.26 114.31 3iir n ASN 38 Ca -0.11 -1.96 -0.05 0.00 -0.03 0.00 0.00 54.58 52.43 3iir n ASN 38 Cb 0.63 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 3iir n ASN 38 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3iir s GLU 39 N -1.55 0.24 0.22 3.52 2.56 -1.26 -5.04 118.70 117.40 3iir s GLU 39 Ca 0.34 0.10 -0.08 0.00 0.00 0.00 0.00 54.97 55.32 3iir s GLU 39 Cb 0.21 0.11 0.34 0.00 2.00 0.00 0.00 34.13 36.79 3iir s GLU 39 CO 0.29 -0.07 1.73 -0.07 -0.56 0.00 0.00 175.26 176.58 3iir h LEU 40 N 2.48 0.18 -9.47 2.70 -0.00 -1.94 -3.01 115.31 106.25 3iir h LEU 40 Ca -0.15 0.10 -0.59 0.00 -0.00 0.00 0.00 57.88 57.24 3iir h LEU 40 Cb 1.18 0.09 -0.11 0.00 -0.00 0.00 0.00 40.66 41.82 3iir h LEU 40 CO 0.23 0.09 -0.67 0.00 -0.00 0.00 0.00 178.44 178.10 3iir s PRO 42 N -3.24 3.42 0.49 0.00 0.02 -1.26 -4.85 135.00 129.58 3iir s PRO 42 Ca 0.28 1.19 -0.24 0.00 0.02 0.00 0.00 61.00 62.26 3iir s PRO 42 Cb -0.08 -2.05 -0.07 0.00 0.02 0.00 0.00 34.50 32.33 3iir s PRO 42 CO 0.18 -0.73 1.36 -0.51 -0.33 0.00 0.00 177.00 176.97 3iir s LEU 43 N -4.37 4.00 0.27 -5.54 1.02 -1.26 -3.63 118.68 109.17 3iir s LEU 43 Ca 0.63 2.76 0.01 0.00 0.02 0.00 0.00 54.13 57.55 3iir s LEU 43 Cb -0.15 -4.11 -0.04 0.00 0.02 0.00 0.00 46.19 41.91 3iir s LEU 43 CO 0.35 -1.29 0.45 -1.81 0.02 0.00 0.00 176.35 174.06 3iir s ASP 44 N -0.82 6.34 -0.24 2.29 1.01 0.23 -2.31 116.67 123.17 3iir s ASP 44 Ca 0.65 0.35 -0.16 0.00 0.71 0.00 0.00 52.55 54.10 3iir s ASP 44 Cb -0.40 -1.99 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 3iir s ASP 44 CO 0.49 -0.15 0.44 -0.69 0.21 0.00 0.00 175.17 175.48 3iir s VAL 45 N -2.06 5.14 0.26 -1.27 1.01 -1.02 -0.52 120.40 121.94 3iir s VAL 45 Ca 0.38 0.74 0.11 0.00 0.00 0.00 0.00 61.98 63.22 3iir s VAL 45 Cb -0.10 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 3iir s VAL 45 CO 0.32 0.16 -0.18 0.27 0.00 0.00 0.00 175.10 175.67 3iir s ILE 46 N 1.88 2.62 0.04 2.22 -4.36 -0.44 -1.60 121.20 121.56 3iir s ILE 46 Ca 0.19 -2.25 -0.03 0.00 -0.26 0.00 0.00 60.65 58.29 3iir s ILE 46 Cb -0.15 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.15 3iir s ILE 46 CO 0.09 -0.34 0.25 -1.58 0.24 0.00 0.00 174.94 173.60 3iir s GLN 47 N -3.37 3.51 0.27 0.37 0.74 -0.61 -0.71 119.66 119.87 3iir s GLN 47 Ca 0.28 -0.24 -0.09 0.00 0.05 0.00 0.00 55.36 55.37 3iir s GLN 47 Cb -0.06 -3.03 -0.07 0.00 1.10 0.00 0.00 33.01 30.95 3iir s GLN 47 CO 0.15 0.61 0.59 -0.51 -0.55 0.00 0.00 175.29 175.58 3iir s LEU 48 N -2.16 4.09 0.04 3.68 1.43 0.14 -4.79 118.68 121.11 3iir s LEU 48 Ca 0.32 0.91 -0.22 0.00 -1.03 0.00 0.00 54.13 54.11 3iir s LEU 48 Cb -0.13 -3.71 -0.14 0.00 0.03 0.00 0.00 46.19 42.24 3iir s LEU 48 CO 0.21 -0.15 1.46 0.28 0.23 0.00 0.00 176.35 178.38 3iir h SER 49 N 2.14 0.20 -3.40 2.29 0.02 -1.93 -1.92 113.55 110.95 3iir h SER 49 Ca -0.47 -0.33 -0.55 0.00 -0.84 0.00 0.00 61.79 59.60 3iir h SER 49 Cb 1.18 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 3iir h SER 49 CO 0.67 0.48 0.17 -2.16 -1.14 0.00 0.00 176.83 174.85 3iir s PRO 50 N -4.89 4.49 0.00 3.45 0.04 -1.26 -3.43 135.00 133.39 3iir s PRO 50 Ca -0.14 1.06 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3iir s PRO 50 Cb 0.05 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.18 3iir s PRO 50 CO 0.71 0.16 0.92 -0.40 0.04 0.00 0.00 177.00 178.42 3iir n ASP 51 N 3.30 0.00 0.18 6.66 5.68 -1.20 -0.91 116.55 130.27 3iir n ASP 51 Ca -0.01 0.42 0.12 0.00 -0.50 0.00 0.00 54.79 54.83 3iir n ASP 51 Cb 0.51 -0.42 0.19 0.00 -1.14 0.00 0.00 41.12 40.25 3iir n ASP 51 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3iir h LEU 52 N 0.00 0.00 -8.75 -2.12 3.38 -1.90 -3.45 115.31 102.47 3iir h LEU 52 Ca 0.00 -0.01 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 3iir h LEU 52 Cb 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.60 3iir h LEU 52 CO 0.00 0.00 -0.50 -1.00 0.09 0.00 0.00 178.44 177.04 3iir s HIS 53 N -3.21 3.22 -0.87 1.13 3.76 -0.09 -4.96 115.29 114.27 3iir s HIS 53 Ca 0.07 -0.15 0.27 0.00 -0.15 0.00 0.00 55.06 55.09 3iir s HIS 53 Cb 0.07 -2.44 0.80 0.00 1.11 0.00 0.00 32.58 32.13 3iir s HIS 53 CO 0.68 -0.31 1.66 1.63 -0.85 0.00 0.00 174.74 177.54 3iir n LYS 54 N 5.08 0.11 0.00 1.40 5.02 -1.26 0.24 118.16 128.75 3iir n LYS 54 Ca -0.13 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3iir n LYS 54 Cb 0.50 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3iir n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iir n GLY 55 N 1.43 -0.42 3.88 0.72 0.00 -1.26 -3.87 105.19 105.66 3iir n GLY 55 Ca 0.06 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 3iir n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iir s THR 56 N 0.00 5.15 0.41 2.61 2.01 -0.74 -4.96 115.64 120.13 3iir s THR 56 Ca 0.00 0.27 -0.23 0.00 0.31 0.00 0.00 61.69 62.04 3iir s THR 56 Cb 0.00 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 3iir s THR 56 CO 0.00 0.22 1.04 0.00 -0.69 0.00 0.00 174.62 175.19 3iir s ARG 57 N -2.13 4.12 0.14 4.92 1.70 -1.26 -4.77 118.95 121.66 3iir s ARG 57 Ca 0.35 1.48 -0.01 0.00 -0.47 0.00 0.00 55.73 57.07 3iir s ARG 57 Cb -0.13 -2.47 -0.04 0.00 -0.57 0.00 0.00 34.95 31.74 3iir s ARG 57 CO 0.20 -0.18 0.07 -0.48 -1.08 0.00 0.00 175.30 173.83 3iir s LEU 58 N -2.78 1.69 0.00 -1.89 0.05 0.65 -0.29 118.68 116.12 3iir s LEU 58 Ca 0.59 -1.23 0.02 0.00 0.05 0.00 0.00 54.13 53.56 3iir s LEU 58 Cb -0.21 0.32 -0.01 0.00 -2.05 0.00 0.00 46.19 44.24 3iir s LEU 58 CO 0.26 -0.74 -0.05 -0.60 -0.55 0.00 0.00 176.35 174.67 3iir s ARG 59 N -4.06 0.40 0.02 1.48 6.06 0.90 -0.19 118.95 123.56 3iir s ARG 59 Ca 0.26 -0.25 0.01 0.00 -2.50 0.00 0.00 55.73 53.24 3iir s ARG 59 Cb 0.07 -0.35 -0.04 0.00 0.06 0.00 0.00 34.95 34.69 3iir s ARG 59 CO 0.03 0.09 0.07 -0.06 -2.50 0.00 0.00 175.30 172.93 3iir s PHE 60 N -0.30 3.24 -0.05 5.12 0.08 -1.26 -2.04 117.98 122.77 3iir s PHE 60 Ca -0.00 0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.20 3iir s PHE 60 Cb -0.03 -1.70 0.03 0.00 -0.57 0.00 0.00 43.02 40.75 3iir s PHE 60 CO -0.00 0.53 0.01 0.00 -0.10 0.00 0.00 175.22 175.66 3iir s ALA 61 N -1.24 0.46 0.28 5.36 0.00 -0.31 -4.62 121.76 121.68 3iir s ALA 61 Ca 0.24 0.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.10 3iir s ALA 61 Cb -0.12 -0.55 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 3iir s ALA 61 CO 0.16 -0.30 0.70 0.00 0.00 0.00 0.00 175.76 176.32 3iir s ALA 62 N 1.61 3.38 0.55 0.00 0.00 -1.26 0.34 121.76 126.39 3iir s ALA 62 Ca -0.01 0.03 0.25 0.00 0.00 0.00 0.00 51.96 52.23 3iir s ALA 62 Cb -0.13 -2.73 1.46 0.00 0.00 0.00 0.00 23.12 21.72 3iir s ALA 62 CO -0.03 0.36 2.04 0.10 0.00 0.00 0.00 175.76 178.22 3iir h TYR 63 N 2.65 0.00 0.00 0.00 -0.00 -1.69 0.23 116.97 118.16 3iir h TYR 63 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3iir h TYR 63 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.91 3iir h TYR 63 CO 0.62 0.00 0.00 -0.91 -0.00 0.00 0.00 178.16 177.87 3iir h ASN 64 N 0.00 0.00 -4.51 0.10 4.21 -1.93 -3.47 115.58 109.98 3iir h ASN 64 Ca 0.17 0.00 -0.41 0.00 1.21 0.00 0.00 56.30 57.27 3iir h ASN 64 Cb 0.75 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 38.00 3iir h ASN 64 CO -0.00 0.00 -0.60 0.59 -1.29 0.00 0.00 177.43 176.12 3iir n ASN 65 N -2.84 -5.98 -4.79 5.81 3.02 0.80 -5.02 115.26 106.26 3iir n ASN 65 Ca 0.01 -0.29 -0.36 0.00 -0.03 0.00 0.00 54.58 53.92 3iir n ASN 65 Cb 0.28 -4.84 -0.06 0.00 -0.61 0.00 0.00 39.78 34.55 3iir n ASN 65 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3iir s THR 66 N -3.16 4.15 0.29 3.41 -4.23 -1.26 -4.99 115.64 109.85 3iir s THR 66 Ca 0.30 1.62 0.02 0.00 -1.18 0.00 0.00 61.69 62.45 3iir s THR 66 Cb -0.14 -3.82 0.11 0.00 1.34 0.00 0.00 72.50 69.99 3iir s THR 66 CO 0.37 -0.02 1.78 0.28 -0.54 0.00 0.00 174.62 176.49 3iir h SER 67 N 2.66 0.56 -3.32 3.99 0.02 -1.96 -3.43 113.55 112.07 3iir h SER 67 Ca -0.48 -0.15 -0.63 0.00 -0.84 0.00 0.00 61.79 59.69 3iir h SER 67 Cb 1.19 -0.15 -0.20 0.00 0.14 0.00 0.00 62.40 63.38 3iir h SER 67 CO 0.63 0.71 -0.63 -0.63 -1.14 0.00 0.00 176.83 175.76 3iir s ILE 68 N -4.78 4.17 -0.27 3.27 -1.09 -1.26 -1.63 121.20 119.62 3iir s ILE 68 Ca -0.08 -0.25 -0.15 0.00 -2.23 0.00 0.00 60.65 57.94 3iir s ILE 68 Cb 0.14 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 3iir s ILE 68 CO 0.79 0.47 0.39 -0.63 -1.23 0.00 0.00 174.94 174.73 3iir s ILE 69 N 0.47 5.17 0.24 2.92 1.01 -0.43 -4.98 121.20 125.59 3iir s ILE 69 Ca -0.01 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3iir s ILE 69 Cb -0.14 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 3iir s ILE 69 CO 0.02 0.16 0.43 -1.00 0.00 0.00 0.00 174.94 174.54 3iir s HIS 70 N 2.05 3.48 0.80 3.97 3.76 -1.26 -1.04 115.29 127.06 3iir s HIS 70 Ca 0.16 0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 55.27 3iir s HIS 70 Cb -0.16 -1.84 0.07 0.00 1.11 0.00 0.00 32.58 31.77 3iir s HIS 70 CO 0.10 0.33 1.09 -1.83 -0.85 0.00 0.00 174.74 173.57 3iir s GLU 71 N -3.61 2.06 -1.80 1.40 -1.05 0.46 -3.94 118.70 112.22 3iir s GLU 71 Ca 0.38 0.92 0.00 0.00 -0.15 0.00 0.00 54.97 56.12 3iir s GLU 71 Cb -0.10 -1.89 0.00 0.00 -0.44 0.00 0.00 34.13 31.69 3iir s GLU 71 CO 0.30 -1.71 0.00 0.00 0.95 0.00 0.00 175.26 174.81 3iir n ALA 72 N -3.53 -0.43 -3.01 -0.84 0.00 -0.62 -4.64 120.51 107.45 3iir n ALA 72 Ca 0.08 0.24 -0.28 0.00 0.00 0.00 0.00 53.44 53.48 3iir n ALA 72 Cb 0.54 -1.90 -0.16 0.00 0.00 0.00 0.00 19.45 17.93 3iir n ALA 72 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iir s VAL 73 N -2.69 1.63 0.15 0.00 1.01 -1.25 -5.00 120.40 114.25 3iir s VAL 73 Ca 0.00 -0.81 -0.34 0.00 0.00 0.00 0.00 61.98 60.83 3iir s VAL 73 Cb 0.00 -1.40 -0.14 0.00 0.00 0.00 0.00 36.38 34.84 3iir s VAL 73 CO 0.00 0.46 1.55 0.47 0.00 0.00 0.00 175.10 177.58 3iir n ASP 74 N 3.27 2.91 -4.09 3.32 10.43 -1.26 -4.50 116.55 126.63 3iir n ASP 74 Ca -0.19 1.09 -0.17 0.00 2.57 0.00 0.00 54.79 58.09 3iir n ASP 74 Cb 0.53 -1.40 -0.13 0.00 1.84 0.00 0.00 41.12 41.96 3iir n ASP 74 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iir s LEU 75 N 0.85 2.17 -0.09 0.64 1.02 0.91 -1.69 118.68 122.49 3iir s LEU 75 Ca 0.79 -0.42 -0.17 0.00 0.02 0.00 0.00 54.13 54.35 3iir s LEU 75 Cb -0.71 -0.42 -0.05 0.00 0.02 0.00 0.00 46.19 45.03 3iir s LEU 75 CO 0.39 -0.03 0.45 0.20 0.02 0.00 0.00 176.35 177.38 3iir s ASN 76 N -1.09 6.71 -0.12 2.29 0.01 0.15 -0.75 114.94 122.14 3iir s ASN 76 Ca -0.02 0.84 0.02 0.00 -0.71 0.00 0.00 52.86 52.99 3iir s ASN 76 Cb -0.07 -2.27 -0.01 0.00 0.41 0.00 0.00 41.25 39.31 3iir s ASN 76 CO 0.01 0.09 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.81 3iir s VAL 77 N 0.18 2.51 -0.04 1.60 1.01 -1.26 -1.16 120.40 123.23 3iir s VAL 77 Ca 0.25 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 3iir s VAL 77 Cb -0.15 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.24 3iir s VAL 77 CO 0.11 0.54 0.34 -1.59 0.00 0.00 0.00 175.10 174.50 3iir s LYS 78 N 0.40 0.63 -0.02 2.72 -2.85 -0.87 -0.24 119.74 119.52 3iir s LYS 78 Ca -0.14 -0.02 -0.27 0.00 -1.00 0.00 0.00 55.97 54.55 3iir s LYS 78 Cb -0.17 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 3iir s LYS 78 CO 0.07 -0.16 0.84 -0.06 0.10 0.00 0.00 175.35 176.13 3iir s PHE 79 N -0.98 3.63 -1.15 1.78 0.08 -1.13 -0.07 117.98 120.15 3iir s PHE 79 Ca -0.10 1.48 -0.19 0.00 0.12 0.00 0.00 56.93 58.24 3iir s PHE 79 Cb -0.04 -2.95 0.09 0.00 -0.57 0.00 0.00 43.02 39.54 3iir s PHE 79 CO 0.04 0.07 1.52 -1.12 -0.10 0.00 0.00 175.22 175.62 3iir s SER 80 N 0.79 6.74 0.18 1.36 0.01 0.60 -4.74 113.70 118.64 3iir s SER 80 Ca 0.44 -2.16 -0.23 0.00 1.31 0.00 0.00 55.95 55.31 3iir s SER 80 Cb -0.20 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.58 3iir s SER 80 CO 0.23 -1.20 0.99 0.28 0.41 0.00 0.00 173.24 173.95 3iir s THR 81 N 3.86 0.00 -0.06 1.44 -1.32 -1.26 -4.65 115.64 113.65 3iir s THR 81 Ca 0.47 -0.64 0.05 0.00 -1.21 0.00 0.00 61.69 60.36 3iir s THR 81 Cb 0.00 -2.45 -0.01 0.00 -1.51 0.00 0.00 72.50 68.53 3iir s THR 81 CO -0.01 0.00 -0.23 -0.70 -2.21 0.00 0.00 174.62 171.47 3iir s GLU 82 N -2.71 2.56 0.34 7.08 2.12 -1.26 -4.95 118.70 121.89 3iir s GLU 82 Ca 0.17 -0.86 0.07 0.00 0.36 0.00 0.00 54.97 54.70 3iir s GLU 82 Cb -0.02 -2.22 -0.07 0.00 0.26 0.00 0.00 34.13 32.08 3iir s GLU 82 CO 0.04 0.42 -0.02 0.95 -0.54 0.00 0.00 175.26 176.11 3iir s THR 83 N -0.25 1.79 -0.37 -1.70 -4.23 -1.26 -5.03 115.64 104.59 3iir s THR 83 Ca -0.01 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.48 3iir s THR 83 Cb -0.13 -2.73 0.56 0.00 1.34 0.00 0.00 72.50 71.54 3iir s THR 83 CO 0.03 -0.13 1.64 -1.54 -0.54 0.00 0.00 174.62 174.08 3iir n SER 84 N -0.77 3.91 -0.05 3.99 3.41 -1.26 -3.95 113.62 118.91 3iir n SER 84 Ca -0.05 -3.10 -0.05 0.00 -0.26 0.00 0.00 58.87 55.42 3iir n SER 84 Cb 0.65 -0.73 -0.07 0.00 -0.26 0.00 0.00 64.21 63.80 3iir n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iir n ASN 86 N -2.36 -4.53 -4.92 0.00 3.02 -1.25 -5.03 115.26 100.18 3iir n ASN 86 Ca -0.16 0.23 -0.26 0.00 -0.03 0.00 0.00 54.58 54.36 3iir n ASN 86 Cb 0.81 -2.84 -0.02 0.00 -0.61 0.00 0.00 39.78 37.11 3iir n ASN 86 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3iir s GLU 87 N -2.58 3.55 0.74 3.52 2.02 -1.26 -5.08 118.70 119.60 3iir s GLU 87 Ca 0.00 -0.21 -0.16 0.00 0.02 0.00 0.00 54.97 54.62 3iir s GLU 87 Cb 0.00 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.54 3iir s GLU 87 CO 0.00 0.23 0.93 -2.30 0.02 0.00 0.00 175.26 174.14 3iir n PRO 88 N -1.20 0.42 -0.81 0.39 -0.02 -1.26 -4.85 135.00 127.68 3iir n PRO 88 Ca -0.04 0.20 -0.05 0.00 -2.02 0.00 0.00 63.50 61.59 3iir n PRO 88 Cb 0.55 -2.19 0.24 0.00 -0.02 0.00 0.00 33.50 32.07 3iir n PRO 88 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iir n THR 89 N -2.62 2.38 -2.61 3.45 -2.24 -1.26 -1.65 114.28 109.73 3iir n THR 89 Ca 0.13 -1.25 -0.42 0.00 -2.27 0.00 0.00 64.05 60.23 3iir n THR 89 Cb 0.50 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 3iir n THR 89 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3iir s VAL 90 N -2.44 4.60 0.60 2.28 1.01 -1.26 -2.85 120.40 122.34 3iir s VAL 90 Ca 0.43 1.87 -0.19 0.00 0.00 0.00 0.00 61.98 64.09 3iir s VAL 90 Cb 0.34 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3iir s VAL 90 CO 0.11 0.09 1.28 0.26 0.00 0.00 0.00 175.10 176.84 3iir s TRP 91 N 1.43 2.24 -0.06 5.22 0.52 0.67 -1.07 118.94 127.90 3iir s TRP 91 Ca 0.53 1.47 -0.26 0.00 0.02 0.00 0.00 56.10 57.85 3iir s TRP 91 Cb -0.23 -3.65 0.06 0.00 -1.15 0.00 0.00 33.47 28.50 3iir s TRP 91 CO 0.25 -2.67 0.59 -0.98 0.02 0.00 0.00 176.95 174.16 3iir s ARG 92 N -3.23 0.94 0.05 4.98 1.70 -0.73 -4.48 118.95 118.19 3iir s ARG 92 Ca 0.78 0.22 -0.31 0.00 -0.47 0.00 0.00 55.73 55.95 3iir s ARG 92 Cb -0.36 0.44 -0.06 0.00 -0.57 0.00 0.00 34.95 34.40 3iir s ARG 92 CO 0.39 -0.27 1.25 0.54 -1.08 0.00 0.00 175.30 176.13 3iir s VAL 93 N -1.07 3.89 1.06 4.99 0.11 -0.52 -0.83 120.40 128.02 3iir s VAL 93 Ca -0.11 1.34 -0.17 0.00 -2.93 0.00 0.00 61.98 60.12 3iir s VAL 93 Cb -0.02 -3.86 0.23 0.00 -1.53 0.00 0.00 36.38 31.20 3iir s VAL 93 CO 0.08 0.08 1.21 -0.62 -3.33 0.00 0.00 175.10 172.52 3iir s ASP 94 N 1.19 2.25 0.76 3.54 -1.08 -0.30 -4.90 116.67 118.12 3iir s ASP 94 Ca 0.60 0.51 -0.11 0.00 -0.52 0.00 0.00 52.55 53.03 3iir s ASP 94 Cb -0.30 -0.70 0.05 0.00 -1.46 0.00 0.00 42.92 40.50 3iir s ASP 94 CO 0.28 -3.29 1.08 0.20 0.52 0.00 0.00 175.17 173.97 3iir s ASN 95 N -4.37 4.70 0.15 -0.34 0.02 -1.26 -4.72 114.94 109.12 3iir s ASN 95 Ca 0.71 1.77 -0.28 0.00 -1.02 0.00 0.00 52.86 54.04 3iir s ASN 95 Cb -0.08 -2.51 -0.03 0.00 0.02 0.00 0.00 41.25 38.65 3iir s ASN 95 CO 0.54 -1.90 1.57 0.22 0.02 0.00 0.00 177.10 177.55 3iir h TYR 96 N -1.04 -1.36 -3.66 2.20 3.20 -1.98 -3.42 116.97 110.92 3iir h TYR 96 Ca -0.44 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.51 3iir h TYR 96 Cb 1.23 0.65 0.00 0.00 1.54 0.00 0.00 36.73 40.15 3iir h TYR 96 CO 0.59 -0.46 -0.14 -3.47 -1.64 0.00 0.00 178.16 173.04 3iir n ASP 97 N -5.41 -3.73 0.10 -2.11 4.64 -1.26 -3.92 116.55 104.86 3iir n ASP 97 Ca -0.01 0.15 0.02 0.00 -1.38 0.00 0.00 54.79 53.56 3iir n ASP 97 Cb 0.35 -2.28 0.36 0.00 -1.04 0.00 0.00 41.12 38.52 3iir n ASP 97 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3iir h PRO 98 N 0.56 0.28 -0.21 -0.67 0.11 -1.93 -1.61 132.00 128.54 3iir h PRO 98 Ca 0.00 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3iir h PRO 98 Cb 0.32 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3iir h PRO 98 CO 0.06 0.42 0.10 1.03 -0.21 0.00 0.00 178.00 179.39 3iir h SER 99 N 0.27 0.25 -0.00 -2.05 0.87 -1.97 -2.86 113.55 108.05 3iir h SER 99 Ca 0.05 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3iir h SER 99 Cb 0.40 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3iir h SER 99 CO 0.02 0.22 -0.42 0.54 -0.53 0.00 0.00 176.83 176.66 3iir n ARG 100 N -4.46 3.83 -3.28 2.24 1.74 -1.18 -5.02 116.66 110.52 3iir n ARG 100 Ca 0.00 -0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.89 3iir n ARG 100 Cb 0.11 -0.94 0.08 0.00 -1.02 0.00 0.00 32.46 30.68 3iir n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iir n GLY 101 N 1.20 -0.35 3.40 -0.13 0.00 -0.61 -5.02 105.19 103.68 3iir n GLY 101 Ca 0.02 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 3iir n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iir s LYS 102 N -5.15 0.77 -0.78 1.61 1.02 -1.21 -5.07 119.74 110.93 3iir s LYS 102 Ca 0.04 0.33 -0.16 0.00 0.02 0.00 0.00 55.97 56.20 3iir s LYS 102 Cb -0.01 0.36 0.17 0.00 -0.52 0.00 0.00 37.83 37.84 3iir s LYS 102 CO 0.67 -0.18 0.80 -1.58 -0.92 0.00 0.00 175.35 174.13 3iir s TRP 103 N -0.62 3.47 0.46 3.18 0.52 -1.25 -4.29 118.94 120.40 3iir s TRP 103 Ca -0.07 -1.65 -0.21 0.00 0.02 0.00 0.00 56.10 54.20 3iir s TRP 103 Cb -0.03 -3.94 -0.10 0.00 -1.15 0.00 0.00 33.47 28.25 3iir s TRP 103 CO 0.05 -1.14 0.99 -0.06 0.02 0.00 0.00 176.95 176.81 3iir s PHE 104 N 1.19 3.16 -0.34 -1.98 0.08 -1.26 -1.61 117.98 117.21 3iir s PHE 104 Ca 0.18 1.59 -0.25 0.00 0.12 0.00 0.00 56.93 58.58 3iir s PHE 104 Cb -0.13 -2.96 0.01 0.00 -0.57 0.00 0.00 43.02 39.37 3iir s PHE 104 CO -0.06 -0.47 0.87 0.42 -0.10 0.00 0.00 175.22 175.89 3iir s ILE 105 N -2.08 4.67 0.00 0.64 1.09 0.42 -1.15 121.20 124.78 3iir s ILE 105 Ca 0.65 1.18 0.00 0.00 -1.10 0.00 0.00 60.65 61.37 3iir s ILE 105 Cb -0.13 -4.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.01 3iir s ILE 105 CO 0.16 -0.43 0.00 1.07 -0.10 0.00 0.00 174.94 175.65 3iir n THR 106 N 5.80 0.00 -4.58 2.92 5.66 -0.01 -2.42 114.28 121.64 3iir n THR 106 Ca 0.06 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.75 3iir n THR 106 Cb 0.48 -0.21 -0.08 0.00 -1.55 0.00 0.00 70.33 68.98 3iir n THR 106 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3iir s THR 107 N 0.27 1.53 0.00 1.09 -1.32 -0.98 -1.77 115.64 114.47 3iir s THR 107 Ca 0.00 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 3iir s THR 107 Cb 0.00 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.53 3iir s THR 107 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3iir n GLY 108 N -1.23 0.77 3.69 6.08 0.00 -0.66 -4.74 105.19 109.10 3iir n GLY 108 Ca -0.12 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 3iir n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iir n GLY 109 N -0.85 -1.57 3.47 -0.02 0.00 -0.23 -4.79 105.19 101.20 3iir n GLY 109 Ca 0.00 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 3iir n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iir s VAL 110 N -3.75 2.64 -0.22 1.61 -7.23 -1.26 -4.54 120.40 107.64 3iir s VAL 110 Ca 0.72 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 3iir s VAL 110 Cb -0.02 -2.25 0.05 0.00 0.56 0.00 0.00 36.38 34.72 3iir s VAL 110 CO 0.51 -0.05 -0.08 -1.83 -0.31 0.00 0.00 175.10 173.34 3iir s GLU 111 N -2.53 1.84 0.00 4.82 1.03 -1.26 -4.83 118.70 117.77 3iir s GLU 111 Ca 0.20 -0.93 0.00 0.00 0.03 0.00 0.00 54.97 54.27 3iir s GLU 111 Cb -0.09 -2.51 0.00 0.00 -0.80 0.00 0.00 34.13 30.73 3iir s GLU 111 CO 0.11 -0.51 0.00 0.41 -1.33 0.00 0.00 175.26 173.93 3iir n GLY 112 N 4.67 -2.00 0.00 -3.83 0.00 -1.26 -5.18 105.19 97.58 3iir n GLY 112 Ca -0.13 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3iir n GLY 112 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3iir n ASN 113 N -0.34 0.00 -4.71 1.61 2.85 -1.26 -5.00 115.26 108.41 3iir n ASN 113 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 3iir n ASN 113 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 3iir n ASN 113 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 3iir s PRO 114 N 0.00 4.30 0.00 1.20 0.02 -1.26 -4.57 135.00 134.69 3iir s PRO 114 Ca 0.00 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3iir s PRO 114 Cb 0.00 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3iir s PRO 114 CO 0.00 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 3iir n GLY 115 N 3.57 0.71 1.82 0.52 0.00 -1.25 -4.95 105.19 105.60 3iir n GLY 115 Ca 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3iir n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iir n ALA 116 N 0.72 -2.26 0.00 4.61 0.00 -1.26 -4.64 120.51 117.68 3iir n ALA 116 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3iir n ALA 116 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3iir n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3iir n GLN 117 N 1.46 0.00 0.00 0.00 3.00 -1.26 -4.67 117.38 115.91 3iir n GLN 117 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3iir n GLN 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3iir n GLN 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3iir n THR 118 N 0.00 0.00 -0.37 5.09 -1.04 -1.26 -4.84 114.28 111.87 3iir n THR 118 Ca 0.00 -0.28 0.04 0.00 -2.04 0.00 0.00 64.05 61.77 3iir n THR 118 Cb 0.00 1.43 0.12 0.00 -1.82 0.00 0.00 70.33 70.05 3iir n THR 118 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3iir h LEU 119 N 0.00 -1.05 0.00 -4.42 5.85 -1.88 0.61 115.31 114.43 3iir h LEU 119 Ca 0.00 0.30 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3iir h LEU 119 Cb 0.21 0.65 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3iir h LEU 119 CO 0.00 -0.32 0.00 0.29 -0.34 0.00 0.00 178.44 178.07 3iir n LYS 120 N -5.59 0.40 -0.27 1.25 5.02 -1.26 -3.46 118.16 114.25 3iir n LYS 120 Ca 0.15 0.06 0.11 0.00 -2.02 0.00 0.00 58.31 56.61 3iir n LYS 120 Cb 0.48 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.26 3iir n LYS 120 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iir n ASN 121 N -1.20 3.33 -4.43 4.39 3.02 0.21 -1.44 115.26 119.13 3iir n ASN 121 Ca 0.12 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.35 3iir n ASN 121 Cb 0.14 -0.36 -0.13 0.00 -0.61 0.00 0.00 39.78 38.82 3iir n ASN 121 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3iir s TRP 122 N -1.28 2.94 0.17 3.10 0.52 -1.22 -4.46 118.94 118.71 3iir s TRP 122 Ca 0.41 -0.48 0.08 0.00 0.02 0.00 0.00 56.10 56.13 3iir s TRP 122 Cb 0.22 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 3iir s TRP 122 CO 0.30 -0.15 -0.17 -0.06 0.02 0.00 0.00 176.95 176.89 3iir s PHE 123 N 0.49 1.73 0.18 -1.98 0.08 0.07 -4.52 117.98 114.03 3iir s PHE 123 Ca -0.05 -0.51 0.09 0.00 0.12 0.00 0.00 56.93 56.58 3iir s PHE 123 Cb -0.15 -0.85 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 3iir s PHE 123 CO 0.03 0.31 -0.20 0.15 -0.10 0.00 0.00 175.22 175.42 3iir s LYS 124 N -3.00 1.36 -0.20 0.44 1.02 0.64 -0.06 119.74 119.93 3iir s LYS 124 Ca 0.16 -1.46 0.01 0.00 0.02 0.00 0.00 55.97 54.70 3iir s LYS 124 Cb -0.04 -1.47 0.02 0.00 -0.52 0.00 0.00 37.83 35.82 3iir s LYS 124 CO 0.06 0.30 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.13 3iir s LEU 125 N -2.74 2.52 0.09 3.17 1.02 -1.26 -0.33 118.68 121.16 3iir s LEU 125 Ca 0.18 -0.77 0.10 0.00 0.02 0.00 0.00 54.13 53.66 3iir s LEU 125 Cb -0.06 -1.53 -0.03 0.00 0.02 0.00 0.00 46.19 44.58 3iir s LEU 125 CO 0.08 -0.05 -0.25 -1.61 0.02 0.00 0.00 176.35 174.54 3iir s GLU 126 N 1.28 1.66 0.26 1.70 2.02 -0.65 -1.59 118.70 123.39 3iir s GLU 126 Ca 0.02 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.51 3iir s GLU 126 Cb -0.15 -1.98 -0.10 0.00 0.10 0.00 0.00 34.13 32.00 3iir s GLU 126 CO -0.10 0.49 1.39 -0.98 0.02 0.00 0.00 175.26 176.08 3iir s ARG 127 N -1.68 4.30 0.12 1.61 1.70 -1.26 0.46 118.95 124.21 3iir s ARG 127 Ca 0.14 2.25 -0.15 0.00 -0.47 0.00 0.00 55.73 57.49 3iir s ARG 127 Cb -0.10 -3.11 -0.02 0.00 -0.57 0.00 0.00 34.95 31.14 3iir s ARG 127 CO 0.05 -0.35 1.57 0.28 -1.08 0.00 0.00 175.30 175.77 3iir h VAL 128 N 3.47 1.26 0.00 4.99 2.07 -1.40 -3.44 116.25 123.20 3iir h VAL 128 Ca -0.46 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3iir h VAL 128 Cb 1.22 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3iir h VAL 128 CO 0.75 0.33 0.00 0.61 0.02 0.00 0.00 177.57 179.28 3iir n GLY 129 N -0.38 2.87 0.02 2.17 0.00 -1.26 -5.01 105.19 103.60 3iir n GLY 129 Ca -0.01 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 44.06 3iir n GLY 129 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3iir n THR 130 N -0.90 0.10 0.00 2.61 5.66 -1.26 -4.85 114.28 115.64 3iir n THR 130 Ca 0.00 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 3iir n THR 130 Cb 0.00 0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 3iir n THR 130 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3iir n ASP 131 N -1.76 0.00 0.00 1.09 5.68 -1.26 -5.13 116.55 115.17 3iir n ASP 131 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 3iir n ASP 131 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3iir n ASP 131 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 3iir n GLN 132 N 0.00 0.00 0.00 0.11 7.27 -1.26 -4.95 117.38 118.55 3iir n GLN 132 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3iir n GLN 132 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3iir n GLN 132 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3iir n GLY 133 N 0.00 2.23 3.29 1.69 0.00 -1.26 -4.84 105.19 106.30 3iir n GLY 133 Ca 0.00 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 3iir n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iir s THR 134 N 0.00 2.40 0.12 2.61 2.01 -1.26 -4.66 115.64 116.86 3iir s THR 134 Ca 0.00 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.15 3iir s THR 134 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 3iir s THR 134 CO 0.00 0.55 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.03 3iir s TYR 135 N 0.18 1.41 0.17 4.92 2.02 -0.48 -1.08 117.35 124.48 3iir s TYR 135 Ca -0.12 -0.54 0.07 0.00 -0.37 0.00 0.00 57.07 56.11 3iir s TYR 135 Cb -0.16 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 3iir s TYR 135 CO 0.06 0.14 0.00 -1.83 -1.57 0.00 0.00 175.55 172.36 3iir s GLU 136 N -2.60 2.42 -0.07 -0.62 -1.05 0.17 -0.06 118.70 116.89 3iir s GLU 136 Ca 0.08 -1.09 -0.16 0.00 -0.15 0.00 0.00 54.97 53.66 3iir s GLU 136 Cb -0.05 -2.37 -0.05 0.00 -0.44 0.00 0.00 34.13 31.21 3iir s GLU 136 CO 0.03 0.46 0.42 0.42 0.95 0.00 0.00 175.26 177.54 3iir s ILE 137 N -1.70 5.14 0.02 1.83 1.01 -1.26 -1.64 121.20 124.60 3iir s ILE 137 Ca 0.27 0.84 0.05 0.00 0.00 0.00 0.00 60.65 61.81 3iir s ILE 137 Cb -0.09 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3iir s ILE 137 CO 0.19 0.44 -0.14 -0.69 0.00 0.00 0.00 174.94 174.74 3iir s VAL 138 N -0.13 1.11 -0.31 2.92 1.01 0.56 -1.26 120.40 124.31 3iir s VAL 138 Ca 0.23 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 3iir s VAL 138 Cb -0.15 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.28 3iir s VAL 138 CO 0.11 0.12 0.05 -2.28 0.00 0.00 0.00 175.10 173.09 3iir s HIS 139 N -0.66 3.20 -0.43 5.22 2.46 -0.42 -0.26 115.29 124.40 3iir s HIS 139 Ca 0.03 -1.45 0.03 0.00 0.47 0.00 0.00 55.06 54.14 3iir s HIS 139 Cb -0.07 -2.20 0.24 0.00 -0.13 0.00 0.00 32.58 30.43 3iir s HIS 139 CO 0.01 -0.71 0.99 0.00 -2.47 0.00 0.00 174.74 172.56 3iir s PRO 141 N 0.55 3.62 -0.03 0.00 0.04 -1.26 -4.94 135.00 132.97 3iir s PRO 141 Ca 0.29 2.08 0.10 0.00 0.04 0.00 0.00 61.00 63.52 3iir s PRO 141 Cb 0.19 -2.48 0.30 0.00 0.04 0.00 0.00 34.50 32.55 3iir s PRO 141 CO -0.17 -0.76 1.24 0.43 0.04 0.00 0.00 177.00 177.78 3iir n SER 142 N -0.46 2.92 0.03 6.66 7.64 -1.26 -4.72 113.62 124.44 3iir n SER 142 Ca 0.07 -2.19 0.13 0.00 1.01 0.00 0.00 58.87 57.89 3iir n SER 142 Cb 0.45 -0.25 0.52 0.00 -1.01 0.00 0.00 64.21 63.93 3iir n SER 142 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3iir n VAL 143 N 0.14 0.30 -3.37 0.44 3.14 -1.26 -4.45 118.33 113.27 3iir n VAL 143 Ca 0.12 -0.04 -0.13 0.00 -2.96 0.00 0.00 64.34 61.33 3iir n VAL 143 Cb 0.48 -0.61 -0.08 0.00 -1.06 0.00 0.00 33.84 32.57 3iir n VAL 143 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3iir h LYS 145 N 8.22 0.18 -0.02 0.00 -0.00 -1.96 -2.98 116.57 120.01 3iir h LYS 145 Ca -0.13 -0.09 0.00 0.00 -0.00 0.00 0.00 60.65 60.43 3iir h LYS 145 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 3iir h LYS 145 CO 0.30 0.59 -0.08 -1.13 -0.00 0.00 0.00 179.45 179.13 3iir n SER 146 N -4.00 2.35 -4.79 7.07 3.41 -1.26 -4.97 113.62 111.41 3iir n SER 146 Ca -0.02 -1.73 -0.34 0.00 -0.26 0.00 0.00 58.87 56.52 3iir n SER 146 Cb 0.49 0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 3iir n SER 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iir s VAL 148 N -1.98 4.90 0.07 0.00 1.01 -1.26 -5.06 120.40 118.08 3iir s VAL 148 Ca 0.68 1.54 0.00 0.00 0.00 0.00 0.00 61.98 64.21 3iir s VAL 148 Cb -0.18 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3iir s VAL 148 CO 0.23 0.03 -0.04 0.72 0.00 0.00 0.00 175.10 176.03 3iir s PHE 149 N 2.18 0.65 0.46 5.22 -0.12 -1.26 -5.15 117.98 119.96 3iir s PHE 149 Ca 0.36 -0.97 -0.19 0.00 -0.05 0.00 0.00 56.93 56.09 3iir s PHE 149 Cb -0.16 -0.43 -0.09 0.00 -0.63 0.00 0.00 43.02 41.71 3iir s PHE 149 CO 0.11 -0.28 0.95 -0.51 -0.05 0.00 0.00 175.22 175.45 3iir s LEU 150 N -2.85 3.81 -0.39 -1.99 1.43 -1.26 -5.05 118.68 112.38 3iir s LEU 150 Ca 0.07 1.60 0.03 0.00 -1.03 0.00 0.00 54.13 54.80 3iir s LEU 150 Cb 0.06 -4.49 0.16 0.00 0.03 0.00 0.00 46.19 41.95 3iir s LEU 150 CO -0.07 -0.45 0.31 0.00 0.23 0.00 0.00 176.35 176.36 3iir s ASN 152 N 0.38 0.13 0.82 0.00 0.01 0.15 -4.93 114.94 111.51 3iir s ASN 152 Ca 0.28 -0.42 -0.11 0.00 -0.71 0.00 0.00 52.86 51.91 3iir s ASN 152 Cb -0.04 0.21 0.09 0.00 0.41 0.00 0.00 41.25 41.92 3iir s ASN 152 CO -0.14 -0.45 1.10 -1.81 -1.51 0.00 0.00 177.10 174.29 3iir s ASP 153 N -1.84 3.99 -0.11 -1.22 -0.00 -1.25 -1.30 116.67 114.94 3iir s ASP 153 Ca -0.09 1.83 -0.03 0.00 -0.00 0.00 0.00 52.55 54.26 3iir s ASP 153 Cb -0.04 -2.47 -0.03 0.00 -0.00 0.00 0.00 42.92 40.37 3iir s ASP 153 CO -0.02 -2.36 0.01 -0.69 -0.00 0.00 0.00 175.17 172.11 3iir s VAL 154 N -2.85 4.40 0.10 -1.27 1.01 -0.39 -1.14 120.40 120.27 3iir s VAL 154 Ca 0.63 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.41 3iir s VAL 154 Cb -0.18 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 3iir s VAL 154 CO 0.57 0.58 0.11 0.61 0.00 0.00 0.00 175.10 176.97 3iir n GLY 155 N 2.45 3.29 3.46 4.51 0.00 -0.01 -4.60 105.19 114.28 3iir n GLY 155 Ca -0.18 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 3iir n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iir s VAL 156 N -2.47 4.02 -0.68 1.61 0.11 -1.26 -1.53 120.40 120.19 3iir s VAL 156 Ca 0.11 -0.29 -0.23 0.00 -2.93 0.00 0.00 61.98 58.64 3iir s VAL 156 Cb 0.00 -2.82 0.07 0.00 -1.53 0.00 0.00 36.38 32.10 3iir s VAL 156 CO 0.07 0.43 1.00 -0.55 -3.33 0.00 0.00 175.10 172.72 3iir s SER 157 N 0.98 6.19 0.44 3.54 0.15 0.69 -4.89 113.70 120.81 3iir s SER 157 Ca 0.02 -0.99 0.23 0.00 0.70 0.00 0.00 55.95 55.91 3iir s SER 157 Cb -0.14 -2.43 0.96 0.00 -1.71 0.00 0.00 66.02 62.70 3iir s SER 157 CO 0.02 -1.46 1.85 1.88 1.20 0.00 0.00 173.24 176.73 3iir h TYR 158 N 9.58 0.00 0.00 3.44 0.05 -1.92 -2.24 116.97 125.88 3iir h TYR 158 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.51 3iir h TYR 158 Cb 1.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.81 3iir h TYR 158 CO 0.99 0.24 0.00 -0.44 -1.05 0.00 0.00 178.16 177.90 3iir h ASP 159 N 0.00 0.00 -1.62 3.88 5.19 -1.96 -3.32 116.42 118.60 3iir h ASP 159 Ca -0.00 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.92 3iir h ASP 159 Cb 0.70 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.80 3iir h ASP 159 CO 0.03 0.00 -0.97 -1.22 -3.12 0.00 0.00 179.24 173.96 3iir n TYR 160 N -2.93 2.06 -3.66 4.55 4.02 -0.89 -4.93 117.16 115.38 3iir n TYR 160 Ca -0.00 -3.35 -0.21 0.00 -0.01 0.00 0.00 57.90 54.33 3iir n TYR 160 Cb 0.21 -0.33 0.04 0.00 -0.02 0.00 0.00 39.34 39.24 3iir n TYR 160 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3iir n ARG 161 N -0.12 -5.19 -1.91 -0.72 0.63 -1.25 -2.47 116.66 105.63 3iir n ARG 161 Ca 0.25 0.66 -0.17 0.00 -0.92 0.00 0.00 57.85 57.66 3iir n ARG 161 Cb 0.66 -5.29 -0.05 0.00 0.45 0.00 0.00 32.46 28.23 3iir n ARG 161 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3iir n ARG 162 N -4.25 -1.61 -2.09 -0.14 1.74 -0.95 -4.76 116.66 104.60 3iir n ARG 162 Ca -0.30 0.94 -0.39 0.00 -0.77 0.00 0.00 57.85 57.34 3iir n ARG 162 Cb 0.68 -5.41 -0.00 0.00 -1.02 0.00 0.00 32.46 26.71 3iir n ARG 162 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3iir s ARG 163 N -4.17 3.81 0.16 5.56 0.52 -1.03 -1.57 118.95 122.24 3iir s ARG 163 Ca 0.00 2.04 -0.30 0.00 -0.52 0.00 0.00 55.73 56.95 3iir s ARG 163 Cb 0.00 -2.60 -0.07 0.00 0.52 0.00 0.00 34.95 32.80 3iir s ARG 163 CO 0.00 -0.58 0.94 -0.51 0.02 0.00 0.00 175.30 175.17 3iir s LEU 164 N -2.73 4.56 0.14 2.53 1.02 -0.62 -0.22 118.68 123.36 3iir s LEU 164 Ca 0.60 1.84 -0.08 0.00 0.02 0.00 0.00 54.13 56.51 3iir s LEU 164 Cb -0.35 -3.58 -0.01 0.00 0.02 0.00 0.00 46.19 42.27 3iir s LEU 164 CO 0.44 0.03 0.24 0.00 0.02 0.00 0.00 176.35 177.09 3iir s ALA 165 N -0.50 0.01 0.49 4.21 0.00 -0.59 -0.44 121.76 124.95 3iir s ALA 165 Ca 0.44 -0.86 -0.22 0.00 0.00 0.00 0.00 51.96 51.32 3iir s ALA 165 Cb -0.24 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 23.58 3iir s ALA 165 CO 0.30 -0.60 1.19 -0.51 0.00 0.00 0.00 175.76 176.14 3iir s LEU 166 N -2.95 3.93 0.03 0.00 1.43 -0.64 -0.83 118.68 119.65 3iir s LEU 166 Ca 0.15 2.36 0.05 0.00 -1.03 0.00 0.00 54.13 55.65 3iir s LEU 166 Cb 0.04 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 41.92 3iir s LEU 166 CO -0.03 -1.10 -0.14 0.28 0.23 0.00 0.00 176.35 175.60 3iir s THR 167 N -1.55 1.11 -1.10 5.49 -1.32 -0.29 -4.67 115.64 113.31 3iir s THR 167 Ca 0.67 -0.90 0.17 0.00 -1.21 0.00 0.00 61.69 60.42 3iir s THR 167 Cb -0.30 -0.98 0.18 0.00 -1.51 0.00 0.00 72.50 69.89 3iir s THR 167 CO 0.35 0.08 1.53 0.00 -2.21 0.00 0.00 174.62 174.37 3iir n ALA 168 N 2.11 1.81 -1.66 11.08 0.00 -1.26 -3.95 120.51 128.63 3iir n ALA 168 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3iir n ALA 168 Cb 0.55 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3iir n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iir n GLY 169 N 0.21 0.93 1.75 0.00 0.00 -1.26 -4.98 105.19 101.84 3iir n GLY 169 Ca 0.05 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.56 3iir n GLY 169 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iir n ASN 170 N 1.19 0.95 -0.12 1.61 0.23 -1.26 -4.86 115.26 113.00 3iir n ASN 170 Ca 0.00 -2.01 0.04 0.00 -0.53 0.00 0.00 54.58 52.08 3iir n ASN 170 Cb 0.36 -0.28 -0.01 0.00 -2.08 0.00 0.00 39.78 37.76 3iir n ASN 170 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 3iir n GLU 171 N 0.22 2.95 -0.21 -3.83 4.07 -1.26 -5.07 120.64 117.49 3iir n GLU 171 Ca 0.04 -0.37 0.00 0.00 -0.06 0.00 0.00 57.16 56.77 3iir n GLU 171 Cb 1.05 -0.96 0.00 0.00 -0.06 0.00 0.00 31.44 31.47 3iir n GLU 171 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3iir n ARG 172 N -0.56 0.00 -1.72 5.31 0.63 -1.26 -4.98 116.66 114.07 3iir n ARG 172 Ca 0.03 0.21 -0.42 0.00 -0.92 0.00 0.00 57.85 56.75 3iir n ARG 172 Cb 0.15 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.03 3iir n ARG 172 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3iir n VAL 173 N 0.33 0.49 -2.84 5.15 0.31 -1.26 -4.92 118.33 115.59 3iir n VAL 173 Ca 0.00 -0.12 -0.43 0.00 -0.01 0.00 0.00 64.34 63.78 3iir n VAL 173 Cb 0.00 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 3iir n VAL 173 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3iir s PHE 174 N 0.58 2.91 0.25 3.52 5.36 -1.26 -5.03 117.98 124.31 3iir s PHE 174 Ca 0.70 -1.10 -0.05 0.00 -0.96 0.00 0.00 56.93 55.53 3iir s PHE 174 Cb -0.52 -4.36 -0.05 0.00 -0.34 0.00 0.00 43.02 37.74 3iir s PHE 174 CO 0.41 -1.61 0.50 0.20 -1.46 0.00 0.00 175.22 173.26 3iir s GLY 175 N 3.88 1.93 -0.01 13.12 0.00 -1.26 -4.51 107.32 120.46 3iir s GLY 175 Ca 0.33 -0.58 -0.04 0.00 0.00 0.00 0.00 44.72 44.42 3iir s GLY 175 CO -0.05 -0.49 0.10 0.54 0.00 0.00 0.00 173.10 173.20 3iir s VAL 176 N -1.97 0.05 0.07 1.40 0.11 0.92 -2.86 120.40 118.13 3iir s VAL 176 Ca 0.43 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 3iir s VAL 176 Cb -0.11 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 3iir s VAL 176 CO 0.28 -0.23 -0.11 0.68 -3.33 0.00 0.00 175.10 172.40 3iir s VAL 177 N -0.73 3.30 -0.39 2.04 -7.23 0.97 -1.39 120.40 116.98 3iir s VAL 177 Ca -0.08 -1.16 -0.14 0.00 -1.81 0.00 0.00 61.98 58.79 3iir s VAL 177 Cb -0.05 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.41 3iir s VAL 177 CO 0.00 0.21 0.27 -0.63 -0.31 0.00 0.00 175.10 174.64 3iir s ILE 178 N -1.12 5.12 -0.23 -0.62 1.01 -1.26 -1.89 121.20 122.22 3iir s ILE 178 Ca 0.19 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 3iir s ILE 178 Cb -0.11 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3iir s ILE 178 CO 0.11 -0.22 0.10 -0.69 0.00 0.00 0.00 174.94 174.24 3iir s VAL 179 N 1.66 4.79 0.04 2.92 1.01 0.82 -1.30 120.40 130.35 3iir s VAL 179 Ca 0.05 -0.02 0.21 0.00 0.00 0.00 0.00 61.98 62.22 3iir s VAL 179 Cb -0.19 -3.22 0.21 0.00 0.00 0.00 0.00 36.38 33.19 3iir s VAL 179 CO 0.09 0.37 1.61 -0.65 0.00 0.00 0.00 175.10 176.52 3iir h PRO 180 N 7.59 0.00 0.00 2.72 0.11 -1.86 0.12 132.00 140.67 3iir h PRO 180 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3iir h PRO 180 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iir h PRO 180 CO 0.63 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 3iir n ALA 181 N -1.73 0.00 -2.57 -0.75 0.00 -1.26 -4.56 120.51 109.64 3iir n ALA 181 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 3iir n ALA 181 Cb 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 3iir n ALA 181 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3iir s ASN 182 N 0.00 6.85 1.03 0.00 0.02 -1.26 -5.03 114.94 116.55 3iir s ASN 182 Ca 0.00 1.02 -0.15 0.00 -1.02 0.00 0.00 52.86 52.71 3iir s ASN 182 Cb 0.00 -2.32 0.20 0.00 0.02 0.00 0.00 41.25 39.15 3iir s ASN 182 CO 0.00 0.10 1.10 -1.84 0.02 0.00 0.00 177.10 176.48 3iir n GLU 183 N 2.90 -1.37 -2.41 -0.60 -0.00 -1.26 -4.44 120.64 113.46 3iir n GLU 183 Ca -0.08 -1.71 -0.39 0.00 -0.00 0.00 0.00 57.16 54.98 3iir n GLU 183 Cb 0.51 -1.20 -0.03 0.00 -0.00 0.00 0.00 31.44 30.72 3iir n GLU 183 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3iir s GLY 184 N -5.28 0.80 -0.30 -1.84 0.00 -1.26 -5.10 107.32 94.34 3iir s GLY 184 Ca 0.64 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 43.70 3iir s GLY 184 CO 0.45 2.89 1.05 -0.45 0.00 0.00 0.00 173.10 177.05 3iir s SER 185 N 5.36 -0.38 0.00 1.64 0.15 -1.26 -5.04 113.70 114.16 3iir s SER 185 Ca 0.48 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.15 3iir s SER 185 Cb -0.06 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 3iir s SER 185 CO 0.06 -0.07 0.60 0.00 1.20 0.00 0.00 173.24 175.04 3iir n ALA 186 N 4.97 1.27 -2.48 5.45 0.00 -1.26 -4.76 120.51 123.69 3iir n ALA 186 Ca 0.09 -0.60 -0.26 0.00 0.00 0.00 0.00 53.44 52.67 3iir n ALA 186 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 3iir n ALA 186 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3iir s SER 187 N -0.29 3.74 -0.74 0.00 0.01 -1.26 -5.11 113.70 110.05 3iir s SER 187 Ca 0.00 -0.83 0.04 0.00 1.31 0.00 0.00 55.95 56.46 3iir s SER 187 Cb 0.00 -0.41 0.18 0.00 0.21 0.00 0.00 66.02 66.00 3iir s SER 187 CO 0.00 0.09 0.55 0.00 0.41 0.00 0.00 173.24 174.28 3iir s VAL 189 N -1.44 -0.32 -2.81 0.00 1.01 -1.26 -5.25 120.40 110.34 3iir s VAL 189 Ca 0.25 0.03 0.26 0.00 0.00 0.00 0.00 61.98 62.51 3iir s VAL 189 Cb -0.05 -0.92 0.33 0.00 0.00 0.00 0.00 36.38 35.74 3iir s VAL 189 CO -0.16 0.01 1.44 -1.20 0.00 0.00 0.00 175.10 175.20