#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 0.66 -2.58 -0.24 -0.04 -1.26 -0.47 135.00 131.07 3iir n PRO 2 Ca 0.00 0.29 -0.43 0.00 -0.04 0.00 0.00 63.50 63.32 3iir n PRO 2 Cb 0.00 -2.38 -0.02 0.00 -0.04 0.00 0.00 33.50 31.05 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 -4.12 4.21 -0.02 1.53 1.02 -0.18 -4.61 118.68 116.52 3iir s LEU 3 Ca 0.77 1.60 -0.17 0.00 0.02 0.00 0.00 54.13 56.35 3iir s LEU 3 Cb -0.35 -3.55 -0.05 0.00 0.02 0.00 0.00 46.19 42.26 3iir s LEU 3 CO 0.47 -0.58 0.46 -0.76 0.02 0.00 0.00 176.35 175.95 3iir s LEU 4 N 2.56 4.43 0.00 1.79 2.01 -1.26 -1.00 118.68 127.21 3iir s LEU 4 Ca 0.50 0.98 -0.03 0.00 0.01 0.00 0.00 54.13 55.59 3iir s LEU 4 Cb -0.20 -2.68 0.07 0.00 0.01 0.00 0.00 46.19 43.39 3iir s LEU 4 CO 0.16 0.22 0.41 -0.90 1.01 0.00 0.00 176.35 177.25 3iir n ASP 5 N 2.33 0.23 0.11 2.29 5.68 -0.01 -4.54 116.55 122.64 3iir n ASP 5 Ca -0.11 -1.27 0.01 0.00 -0.50 0.00 0.00 54.79 52.92 3iir n ASP 5 Cb 0.52 -0.29 0.34 0.00 -1.14 0.00 0.00 41.12 40.54 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 -0.90 1.22 0.00 2.12 2.10 -1.26 -1.49 117.51 119.31 3iir h ILE 6 Ca -0.13 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 64.77 3iir h ILE 6 Cb 0.42 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 3iir h ILE 6 CO 0.11 0.32 0.00 0.78 -1.08 0.00 0.00 178.15 178.28 3iir h ASN 7 N 0.21 0.00 0.00 2.19 2.35 -1.94 -3.47 115.58 114.92 3iir h ASN 7 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3iir h ASN 7 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3iir h ASN 7 CO 0.04 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 3iir n GLY 8 N 0.69 0.48 3.79 2.83 0.00 -0.56 -5.11 105.19 107.31 3iir n GLY 8 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.24 5.10 0.51 1.61 0.02 -1.26 -4.68 114.94 114.00 3iir s ASN 9 Ca 0.00 1.80 -0.19 0.00 -1.02 0.00 0.00 52.86 53.45 3iir s ASN 9 Cb 0.00 -2.52 -0.08 0.00 0.02 0.00 0.00 41.25 38.67 3iir s ASN 9 CO 0.00 -1.63 1.04 0.68 0.02 0.00 0.00 177.10 177.21 3iir s VAL 10 N -2.75 3.82 -0.04 1.60 -7.23 -1.26 -0.83 120.40 113.71 3iir s VAL 10 Ca 0.62 1.07 -0.21 0.00 -1.81 0.00 0.00 61.98 61.65 3iir s VAL 10 Cb -0.17 -3.45 -0.05 0.00 0.56 0.00 0.00 36.38 33.28 3iir s VAL 10 CO 0.49 -0.30 0.61 -0.69 -0.31 0.00 0.00 175.10 174.90 3iir s VAL 11 N -2.09 5.00 0.14 1.32 1.01 -0.17 -4.81 120.40 120.81 3iir s VAL 11 Ca 0.66 1.26 0.08 0.00 0.00 0.00 0.00 61.98 63.97 3iir s VAL 11 Cb -0.16 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3iir s VAL 11 CO 0.23 0.35 -0.08 -1.61 0.00 0.00 0.00 175.10 173.99 3iir s GLU 12 N 0.25 2.15 0.34 2.72 2.02 -1.26 -1.51 118.70 123.41 3iir s GLU 12 Ca 0.32 -1.12 0.15 0.00 0.02 0.00 0.00 54.97 54.35 3iir s GLU 12 Cb -0.18 -2.27 0.58 0.00 0.10 0.00 0.00 34.13 32.37 3iir s GLU 12 CO 0.16 0.47 1.70 0.00 0.02 0.00 0.00 175.26 177.62 3iir h ALA 13 N 3.22 1.03 -0.09 5.21 0.00 -1.55 -3.15 119.26 123.93 3iir h ALA 13 Ca -0.48 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3iir h ALA 13 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3iir h ALA 13 CO 0.54 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 179.23 3iir n SER 14 N -3.68 2.12 -4.84 0.00 3.41 -1.26 -4.58 113.62 104.79 3iir n SER 14 Ca -0.01 -1.72 -0.29 0.00 -0.26 0.00 0.00 58.87 56.59 3iir n SER 14 Cb 0.53 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.90 3.11 0.12 4.33 0.52 -1.19 -5.11 118.95 118.82 3iir s ARG 15 Ca 0.34 -0.64 -0.17 0.00 -0.52 0.00 0.00 55.73 54.75 3iir s ARG 15 Cb 0.20 -2.83 -0.07 0.00 0.52 0.00 0.00 34.95 32.77 3iir s ARG 15 CO 0.31 0.56 0.57 -0.51 0.02 0.00 0.00 175.30 176.25 3iir s ASP 16 N -2.64 6.93 0.15 0.23 1.01 -1.26 -4.68 116.67 116.40 3iir s ASP 16 Ca 0.32 1.17 0.01 0.00 0.71 0.00 0.00 52.55 54.76 3iir s ASP 16 Cb -0.12 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 3iir s ASP 16 CO 0.25 0.16 -0.00 -0.31 0.21 0.00 0.00 175.17 175.48 3iir s TYR 17 N -1.33 1.07 0.04 4.23 1.51 0.12 -4.23 117.35 118.76 3iir s TYR 17 Ca 0.35 -1.04 0.08 0.00 -1.01 0.00 0.00 57.07 55.45 3iir s TYR 17 Cb -0.17 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 3iir s TYR 17 CO 0.19 -0.26 -0.22 0.71 -1.11 0.00 0.00 175.55 174.87 3iir s TYR 18 N -3.73 2.46 -0.23 2.71 2.02 0.32 0.15 117.35 121.06 3iir s TYR 18 Ca 0.21 -0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 56.54 3iir s TYR 18 Cb 0.06 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 40.18 3iir s TYR 18 CO 0.01 0.20 -0.02 -0.51 -1.57 0.00 0.00 175.55 173.67 3iir s LEU 19 N -1.36 3.01 0.05 -1.29 1.43 -1.26 -0.68 118.68 118.58 3iir s LEU 19 Ca 0.13 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3iir s LEU 19 Cb -0.10 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 3iir s LEU 19 CO 0.04 -0.02 -0.15 -0.69 0.23 0.00 0.00 176.35 175.76 3iir s VAL 20 N 1.51 1.16 0.28 -1.59 1.01 -0.94 -2.86 120.40 118.97 3iir s VAL 20 Ca 0.06 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 3iir s VAL 20 Cb -0.14 -1.06 -0.10 0.00 0.00 0.00 0.00 36.38 35.07 3iir s VAL 20 CO -0.02 -0.04 1.40 -0.44 0.00 0.00 0.00 175.10 176.00 3iir s SER 21 N -1.29 6.68 -0.14 3.32 0.01 -1.20 -0.75 113.70 120.32 3iir s SER 21 Ca 0.01 2.68 -0.03 0.00 1.31 0.00 0.00 55.95 59.92 3iir s SER 21 Cb -0.08 -2.63 0.05 0.00 0.21 0.00 0.00 66.02 63.56 3iir s SER 21 CO 0.02 -0.65 0.05 0.54 0.41 0.00 0.00 173.24 173.60 3iir s VAL 22 N -0.40 0.20 -0.07 3.43 0.11 -1.11 -4.19 120.40 118.37 3iir s VAL 22 Ca 0.56 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 59.47 3iir s VAL 22 Cb -0.41 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 3iir s VAL 22 CO 0.47 -0.10 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.37 3iir s ILE 23 N 2.02 2.99 0.00 7.04 1.01 -1.26 -4.38 121.20 128.62 3iir s ILE 23 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3iir s ILE 23 Cb -0.15 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3iir s ILE 23 CO -0.07 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3iir n GLY 24 N 2.66 2.83 7.00 6.18 0.00 -1.26 -5.00 105.19 117.59 3iir n GLY 24 Ca -0.17 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 0.30 1.72 0.00 -0.02 0.00 -1.26 -4.58 105.19 101.35 3iir n GLY 25 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 8.04 0.00 -3.45 4.61 0.00 -1.26 -2.87 120.51 125.58 3iir n ALA 26 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3iir n ALA 26 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 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 2.84 -0.40 0.00 0.00 -1.26 -4.79 107.32 103.71 3iir s GLY 27 Ca 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 44.72 41.19 3iir s GLY 27 CO 0.00 1.24 0.90 -0.32 0.00 0.00 0.00 173.10 174.92 3iir s GLY 28 N 1.34 -1.53 0.00 0.20 0.00 -1.14 -4.40 107.32 101.79 3iir s GLY 28 Ca 0.22 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.36 3iir s GLY 28 CO -0.08 4.02 0.00 0.61 0.00 0.00 0.00 173.10 177.64 3iir n GLY 29 N 3.31 3.86 0.00 0.20 0.00 -0.46 -3.30 105.19 108.79 3iir n GLY 29 Ca 0.12 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 0.32 3.46 -0.02 0.00 0.13 -3.25 105.19 110.83 3iir n GLY 30 Ca 0.00 -1.88 -0.33 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 2.88 0.00 0.99 1.02 -1.14 0.66 118.68 123.10 3iir s LEU 31 Ca 0.00 -0.20 0.01 0.00 0.02 0.00 0.00 54.13 53.95 3iir s LEU 31 Cb 0.00 -1.63 -0.00 0.00 0.02 0.00 0.00 46.19 44.57 3iir s LEU 31 CO 0.00 0.26 0.20 1.07 0.02 0.00 0.00 176.35 177.90 3iir n THR 32 N 2.92 0.00 -3.79 5.49 5.66 0.32 -1.82 114.28 123.07 3iir n THR 32 Ca -0.18 -0.97 -0.33 0.00 -3.05 0.00 0.00 64.05 59.53 3iir n THR 32 Cb 0.53 0.55 -0.05 0.00 -1.55 0.00 0.00 70.33 69.81 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 4.34 0.04 1.09 1.43 -1.26 -0.84 118.68 123.48 3iir s LEU 33 Ca 0.16 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.69 3iir s LEU 33 Cb 0.00 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 3iir s LEU 33 CO 0.11 0.18 0.08 -0.47 0.23 0.00 0.00 176.35 176.48 3iir s TYR 34 N -1.46 0.23 0.66 0.29 5.04 0.65 -4.83 117.35 117.93 3iir s TYR 34 Ca 0.33 -0.56 -0.17 0.00 -2.44 0.00 0.00 57.07 54.23 3iir s TYR 34 Cb -0.13 -0.16 -0.04 0.00 0.35 0.00 0.00 41.96 41.98 3iir s TYR 34 CO 0.22 -0.37 0.72 2.89 -1.34 0.00 0.00 175.55 177.67 3iir n ARG 35 N 0.72 0.53 -1.22 4.97 1.85 -1.26 0.11 116.66 122.36 3iir n ARG 35 Ca -0.19 0.22 -0.30 0.00 -1.00 0.00 0.00 57.85 56.59 3iir n ARG 35 Cb 0.59 -1.96 0.14 0.00 -1.05 0.00 0.00 32.46 30.18 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 -1.38 1.61 -0.07 2.89 0.00 -0.96 -4.26 107.32 105.15 3iir s GLY 36 Ca 0.71 -0.11 -0.25 0.00 0.00 0.00 0.00 44.72 45.07 3iir s GLY 36 CO 0.53 0.39 0.95 3.21 0.00 0.00 0.00 173.10 178.17 3iir h ARG 37 N -1.57 -0.06 -0.02 2.90 3.08 -1.91 -3.38 114.38 113.42 3iir h ARG 37 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3iir h ARG 37 Cb 1.29 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3iir h ARG 37 CO 0.55 0.56 -0.28 0.09 -1.07 0.00 0.00 179.97 179.82 3iir n ASN 38 N -4.79 2.26 -3.56 7.04 3.02 -1.26 -4.99 115.26 112.97 3iir n ASN 38 Ca -0.08 -1.63 -0.12 0.00 -0.03 0.00 0.00 54.58 52.71 3iir n ASN 38 Cb 0.32 0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 39.71 3iir n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3iir s GLU 39 N -2.30 0.72 0.26 3.52 0.41 -1.26 -5.03 118.70 115.02 3iir s GLU 39 Ca 0.23 0.17 -0.01 0.00 -0.41 0.00 0.00 54.97 54.95 3iir s GLU 39 Cb 0.19 0.34 0.51 0.00 -1.78 0.00 0.00 34.13 33.39 3iir s GLU 39 CO 0.47 -0.23 1.80 -0.07 -0.49 0.00 0.00 175.26 176.74 3iir h LEU 40 N 2.66 0.71 -9.07 1.80 -0.00 -1.94 -3.04 115.31 106.43 3iir h LEU 40 Ca -0.21 0.07 -0.67 0.00 -0.00 0.00 0.00 57.88 57.07 3iir h LEU 40 Cb 1.16 -0.07 -0.19 0.00 -0.00 0.00 0.00 40.66 41.56 3iir h LEU 40 CO 0.33 0.36 -0.81 0.00 -0.00 0.00 0.00 178.44 178.31 3iir s PRO 42 N -2.36 3.49 0.42 0.00 0.02 -1.26 -4.89 135.00 130.43 3iir s PRO 42 Ca 0.19 0.89 -0.26 0.00 0.02 0.00 0.00 61.00 61.84 3iir s PRO 42 Cb -0.09 -2.07 -0.09 0.00 0.02 0.00 0.00 34.50 32.27 3iir s PRO 42 CO 0.10 -0.65 1.33 -0.51 -0.33 0.00 0.00 177.00 176.94 3iir s LEU 43 N -4.95 4.19 0.10 -5.54 2.01 -1.26 -3.62 118.68 109.60 3iir s LEU 43 Ca 0.57 2.72 -0.05 0.00 0.01 0.00 0.00 54.13 57.39 3iir s LEU 43 Cb -0.12 -3.91 -0.05 0.00 0.01 0.00 0.00 46.19 42.12 3iir s LEU 43 CO 0.47 -0.93 0.33 -1.81 1.01 0.00 0.00 176.35 175.42 3iir s ASP 44 N -0.68 6.48 -0.21 2.29 1.01 0.30 -2.81 116.67 123.04 3iir s ASP 44 Ca 0.58 0.54 -0.25 0.00 0.71 0.00 0.00 52.55 54.13 3iir s ASP 44 Cb -0.39 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 3iir s ASP 44 CO 0.51 0.12 0.84 -0.69 0.21 0.00 0.00 175.17 176.16 3iir s VAL 45 N -1.54 4.85 0.23 -1.27 1.01 -0.99 -0.26 120.40 122.43 3iir s VAL 45 Ca 0.37 1.61 0.10 0.00 0.00 0.00 0.00 61.98 64.06 3iir s VAL 45 Cb -0.13 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3iir s VAL 45 CO 0.23 -0.04 -0.14 0.27 0.00 0.00 0.00 175.10 175.43 3iir s ILE 46 N 2.59 2.87 0.20 2.22 -4.36 -0.02 -1.73 121.20 122.98 3iir s ILE 46 Ca 0.37 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.69 3iir s ILE 46 Cb -0.16 -2.46 -0.06 0.00 1.25 0.00 0.00 42.46 41.03 3iir s ILE 46 CO 0.09 -0.25 0.47 -1.58 0.24 0.00 0.00 174.94 173.91 3iir s GLN 47 N -3.16 3.69 0.18 0.37 0.74 -0.72 -0.52 119.66 120.23 3iir s GLN 47 Ca 0.27 0.06 -0.08 0.00 0.05 0.00 0.00 55.36 55.66 3iir s GLN 47 Cb -0.07 -2.74 -0.06 0.00 1.10 0.00 0.00 33.01 31.24 3iir s GLN 47 CO 0.15 0.37 0.47 -0.51 -0.55 0.00 0.00 175.29 175.21 3iir s LEU 48 N -2.87 4.23 0.02 3.68 1.43 0.21 -4.80 118.68 120.58 3iir s LEU 48 Ca 0.44 0.77 -0.25 0.00 -1.03 0.00 0.00 54.13 54.06 3iir s LEU 48 Cb -0.11 -3.47 -0.17 0.00 0.03 0.00 0.00 46.19 42.46 3iir s LEU 48 CO 0.24 0.00 1.39 0.28 0.23 0.00 0.00 176.35 178.49 3iir h SER 49 N 2.77 -0.23 -3.42 2.29 0.02 -1.92 -1.22 113.55 111.83 3iir h SER 49 Ca -0.47 -0.19 -0.54 0.00 -0.84 0.00 0.00 61.79 59.75 3iir h SER 49 Cb 1.17 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3iir h SER 49 CO 0.70 0.07 0.24 -2.16 -1.14 0.00 0.00 176.83 174.55 3iir s PRO 50 N -5.03 4.53 0.00 3.45 0.04 -1.26 -3.49 135.00 133.24 3iir s PRO 50 Ca -0.15 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.09 3iir s PRO 50 Cb 0.03 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.14 3iir s PRO 50 CO 0.61 0.08 0.70 -0.40 0.04 0.00 0.00 177.00 178.03 3iir n ASP 51 N 3.50 0.00 0.17 6.66 5.68 -1.21 -0.75 116.55 130.60 3iir n ASP 51 Ca 0.02 0.23 0.10 0.00 -0.50 0.00 0.00 54.79 54.64 3iir n ASP 51 Cb 0.51 -0.23 0.09 0.00 -1.14 0.00 0.00 41.12 40.35 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 -1.89 -3.46 115.31 102.47 3iir h LEU 52 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 3iir h LEU 52 Cb 0.06 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.63 3iir h LEU 52 CO 0.00 0.08 -0.41 -1.00 0.09 0.00 0.00 178.44 177.20 3iir s HIS 53 N -3.22 3.22 -1.63 1.13 3.76 0.07 -4.96 115.29 113.66 3iir s HIS 53 Ca 0.04 -0.10 0.29 0.00 -0.15 0.00 0.00 55.06 55.14 3iir s HIS 53 Cb 0.07 -2.54 1.30 0.00 1.11 0.00 0.00 32.58 32.52 3iir s HIS 53 CO 0.72 -0.36 1.91 1.63 -0.85 0.00 0.00 174.74 177.78 3iir n LYS 54 N 5.21 0.67 0.00 1.40 5.02 -1.26 0.19 118.16 129.38 3iir n LYS 54 Ca -0.11 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 3iir n LYS 54 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 1.27 -0.15 3.83 0.72 0.00 -1.26 -4.03 105.19 105.57 3iir n GLY 55 Ca 0.15 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 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 4.84 0.40 2.61 2.01 -0.76 -4.93 115.64 119.81 3iir s THR 56 Ca 0.00 0.93 -0.25 0.00 0.31 0.00 0.00 61.69 62.68 3iir s THR 56 Cb 0.00 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 3iir s THR 56 CO 0.00 0.35 1.14 0.00 -0.69 0.00 0.00 174.62 175.42 3iir s ARG 57 N -1.67 4.07 0.14 4.92 1.70 -1.26 -4.77 118.95 122.09 3iir s ARG 57 Ca 0.34 1.76 0.00 0.00 -0.47 0.00 0.00 55.73 57.36 3iir s ARG 57 Cb -0.16 -2.64 -0.04 0.00 -0.57 0.00 0.00 34.95 31.53 3iir s ARG 57 CO 0.19 -0.28 0.03 -0.48 -1.08 0.00 0.00 175.30 173.67 3iir s LEU 58 N -2.53 1.97 0.00 -1.89 0.05 0.12 -0.46 118.68 115.95 3iir s LEU 58 Ca 0.57 -1.18 0.02 0.00 0.05 0.00 0.00 54.13 53.60 3iir s LEU 58 Cb -0.29 0.14 -0.01 0.00 -2.05 0.00 0.00 46.19 43.98 3iir s LEU 58 CO 0.36 -0.65 -0.08 -0.60 -0.55 0.00 0.00 176.35 174.83 3iir s ARG 59 N -3.98 0.63 -0.02 1.48 6.06 0.66 0.14 118.95 123.93 3iir s ARG 59 Ca 0.23 -0.34 -0.02 0.00 -2.50 0.00 0.00 55.73 53.10 3iir s ARG 59 Cb 0.07 -0.60 -0.04 0.00 0.06 0.00 0.00 34.95 34.44 3iir s ARG 59 CO 0.02 0.16 0.13 -0.06 -2.50 0.00 0.00 175.30 173.05 3iir s PHE 60 N -0.31 3.44 -0.05 5.12 0.08 -1.26 -2.06 117.98 122.94 3iir s PHE 60 Ca 0.02 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.36 3iir s PHE 60 Cb -0.04 -1.80 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 3iir s PHE 60 CO -0.00 0.61 0.02 0.00 -0.10 0.00 0.00 175.22 175.76 3iir s ALA 61 N -1.24 0.39 0.33 5.36 0.00 -0.10 -4.61 121.76 121.89 3iir s ALA 61 Ca 0.24 0.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 3iir s ALA 61 Cb -0.12 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.35 3iir s ALA 61 CO 0.15 -0.35 0.74 0.00 0.00 0.00 0.00 175.76 176.30 3iir s ALA 62 N 1.74 3.33 0.53 0.00 0.00 -1.26 0.11 121.76 126.21 3iir s ALA 62 Ca 0.00 0.01 0.22 0.00 0.00 0.00 0.00 51.96 52.19 3iir s ALA 62 Cb -0.13 -2.76 1.36 0.00 0.00 0.00 0.00 23.12 21.60 3iir s ALA 62 CO -0.03 0.29 2.07 0.10 0.00 0.00 0.00 175.76 178.18 3iir h TYR 63 N 2.13 0.00 0.00 0.00 -0.00 -1.67 -0.28 116.97 117.14 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 0.09 -0.00 0.00 0.00 178.16 178.87 3iir n ASN 64 N -4.41 0.66 -3.28 0.10 4.13 -1.26 -4.93 115.26 106.26 3iir n ASN 64 Ca 0.04 0.65 -0.24 0.00 1.68 0.00 0.00 54.58 56.72 3iir n ASN 64 Cb 0.38 -0.80 0.03 0.00 -1.54 0.00 0.00 39.78 37.85 3iir n ASN 64 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3iir n ASN 65 N -2.22 -5.21 -4.79 6.41 3.02 -0.12 -4.99 115.26 107.36 3iir n ASN 65 Ca 0.02 -0.40 -0.37 0.00 -0.03 0.00 0.00 54.58 53.81 3iir n ASN 65 Cb 0.24 -4.22 -0.06 0.00 -0.61 0.00 0.00 39.78 35.13 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 -3.12 4.29 0.25 3.41 -4.23 -1.26 -4.98 115.64 109.99 3iir s THR 66 Ca 0.40 1.70 -0.04 0.00 -1.18 0.00 0.00 61.69 62.58 3iir s THR 66 Cb -0.19 -3.96 0.12 0.00 1.34 0.00 0.00 72.50 69.81 3iir s THR 66 CO 0.50 0.12 1.76 0.28 -0.54 0.00 0.00 174.62 176.74 3iir h SER 67 N 3.13 0.86 -3.16 3.99 0.02 -1.96 -3.42 113.55 113.00 3iir h SER 67 Ca -0.47 -0.19 -0.62 0.00 -0.84 0.00 0.00 61.79 59.67 3iir h SER 67 Cb 1.19 -0.23 -0.12 0.00 0.14 0.00 0.00 62.40 63.38 3iir h SER 67 CO 0.65 0.88 -0.52 -0.63 -1.14 0.00 0.00 176.83 176.07 3iir s ILE 68 N -5.12 5.20 -0.25 3.27 -1.09 -1.26 -1.59 121.20 120.36 3iir s ILE 68 Ca -0.10 0.11 -0.13 0.00 -2.23 0.00 0.00 60.65 58.30 3iir s ILE 68 Cb 0.15 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.65 3iir s ILE 68 CO 0.82 0.49 0.26 -0.63 -1.23 0.00 0.00 174.94 174.65 3iir s ILE 69 N 0.06 5.27 0.24 2.92 1.01 -0.57 -4.97 121.20 125.16 3iir s ILE 69 Ca 0.08 0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.13 3iir s ILE 69 Cb -0.12 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3iir s ILE 69 CO -0.00 0.26 0.39 -1.00 0.00 0.00 0.00 174.94 174.59 3iir s HIS 70 N 1.51 3.47 0.77 3.97 3.76 -1.26 -1.01 115.29 126.50 3iir s HIS 70 Ca 0.11 0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 55.06 3iir s HIS 70 Cb -0.15 -1.71 0.05 0.00 1.11 0.00 0.00 32.58 31.89 3iir s HIS 70 CO 0.08 0.37 1.08 -1.83 -0.85 0.00 0.00 174.74 173.60 3iir s GLU 71 N -3.81 2.30 -1.68 1.40 -1.05 0.38 -3.99 118.70 112.26 3iir s GLU 71 Ca 0.36 0.78 0.00 0.00 -0.15 0.00 0.00 54.97 55.96 3iir s GLU 71 Cb -0.10 -1.93 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 3iir s GLU 71 CO 0.30 -1.50 0.00 0.00 0.95 0.00 0.00 175.26 175.01 3iir n ALA 72 N -3.37 -0.45 -2.89 -0.84 0.00 -0.69 -4.62 120.51 107.65 3iir n ALA 72 Ca 0.07 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 3iir n ALA 72 Cb 0.55 -1.81 -0.16 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.63 1.79 0.14 0.00 1.01 -1.26 -4.99 120.40 114.46 3iir s VAL 73 Ca 0.00 -0.91 -0.34 0.00 0.00 0.00 0.00 61.98 60.73 3iir s VAL 73 Cb 0.00 -1.53 -0.14 0.00 0.00 0.00 0.00 36.38 34.71 3iir s VAL 73 CO 0.00 0.50 1.58 0.47 0.00 0.00 0.00 175.10 177.65 3iir n ASP 74 N 3.13 2.99 -4.17 3.32 10.43 -1.26 -4.51 116.55 126.48 3iir n ASP 74 Ca -0.18 1.08 -0.18 0.00 2.57 0.00 0.00 54.79 58.07 3iir n ASP 74 Cb 0.52 -1.40 -0.12 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 1.07 2.26 -0.16 0.64 1.02 0.20 -1.64 118.68 122.07 3iir s LEU 75 Ca 0.80 -0.60 -0.15 0.00 0.02 0.00 0.00 54.13 54.21 3iir s LEU 75 Cb -0.70 -0.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.94 3iir s LEU 75 CO 0.39 -0.07 0.34 0.20 0.02 0.00 0.00 176.35 177.24 3iir s ASN 76 N -1.67 6.47 -0.20 2.29 0.01 0.31 -1.06 114.94 121.10 3iir s ASN 76 Ca -0.02 0.56 -0.03 0.00 -0.71 0.00 0.00 52.86 52.66 3iir s ASN 76 Cb -0.10 -2.21 -0.01 0.00 0.41 0.00 0.00 41.25 39.34 3iir s ASN 76 CO 0.02 0.05 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.92 3iir s VAL 77 N 0.66 3.42 -0.01 1.60 1.01 -1.26 -0.93 120.40 124.89 3iir s VAL 77 Ca 0.18 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 3iir s VAL 77 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3iir s VAL 77 CO 0.06 0.45 0.09 -1.59 0.00 0.00 0.00 175.10 174.11 3iir s LYS 78 N 1.12 0.32 -0.22 2.72 -2.85 -0.87 -0.06 119.74 119.89 3iir s LYS 78 Ca 0.01 -0.23 -0.23 0.00 -1.00 0.00 0.00 55.97 54.52 3iir s LYS 78 Cb -0.15 0.13 -0.01 0.00 -2.06 0.00 0.00 37.83 35.74 3iir s LYS 78 CO -0.01 -0.06 0.76 -0.06 0.10 0.00 0.00 175.35 176.07 3iir s PHE 79 N -0.86 3.34 -1.18 1.78 0.08 -1.11 -0.24 117.98 119.79 3iir s PHE 79 Ca -0.09 1.06 -0.22 0.00 0.12 0.00 0.00 56.93 57.80 3iir s PHE 79 Cb -0.06 -2.96 -0.07 0.00 -0.57 0.00 0.00 43.02 39.36 3iir s PHE 79 CO 0.01 -0.31 1.91 0.43 -0.10 0.00 0.00 175.22 177.15 3iir n SER 80 N 5.63 3.27 -3.44 1.36 7.64 0.40 -4.75 113.62 123.73 3iir n SER 80 Ca 0.03 -2.72 -0.04 0.00 1.01 0.00 0.00 58.87 57.15 3iir n SER 80 Cb 0.48 -1.71 0.01 0.00 -1.01 0.00 0.00 64.21 61.99 3iir n SER 80 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3iir s THR 81 N 9.86 0.00 -0.05 0.44 -1.32 -1.26 -4.72 115.64 118.59 3iir s THR 81 Ca 0.66 -0.65 0.05 0.00 -1.21 0.00 0.00 61.69 60.55 3iir s THR 81 Cb 0.01 -2.62 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 3iir s THR 81 CO 0.13 0.00 -0.21 -0.70 -2.21 0.00 0.00 174.62 171.63 3iir s GLU 82 N -2.51 2.07 0.38 7.08 2.12 -1.26 -4.93 118.70 121.64 3iir s GLU 82 Ca 0.18 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.82 3iir s GLU 82 Cb -0.02 -1.80 -0.07 0.00 0.26 0.00 0.00 34.13 32.50 3iir s GLU 82 CO 0.05 0.32 0.04 0.95 -0.54 0.00 0.00 175.26 176.08 3iir s THR 83 N -0.11 1.51 -0.37 -1.70 -4.23 -1.26 -5.03 115.64 104.46 3iir s THR 83 Ca -0.02 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 3iir s THR 83 Cb -0.12 -2.83 0.63 0.00 1.34 0.00 0.00 72.50 71.52 3iir s THR 83 CO 0.02 0.00 1.73 -1.54 -0.54 0.00 0.00 174.62 174.29 3iir n SER 84 N -0.87 4.16 -0.02 3.99 3.41 -1.26 -4.11 113.62 118.91 3iir n SER 84 Ca -0.05 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 3iir n SER 84 Cb 0.67 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.08 -4.92 -4.95 0.00 3.02 -1.26 -5.01 115.26 100.06 3iir n ASN 86 Ca -0.08 0.20 -0.25 0.00 -0.03 0.00 0.00 54.58 54.43 3iir n ASN 86 Cb 0.52 -3.14 -0.03 0.00 -0.61 0.00 0.00 39.78 36.52 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 -2.43 3.46 0.87 3.52 2.02 -1.26 -5.08 118.70 119.80 3iir s GLU 87 Ca 0.00 -0.58 -0.13 0.00 0.02 0.00 0.00 54.97 54.29 3iir s GLU 87 Cb 0.00 -2.90 0.07 0.00 0.10 0.00 0.00 34.13 31.41 3iir s GLU 87 CO 0.00 0.44 0.88 -2.30 0.02 0.00 0.00 175.26 174.30 3iir n PRO 88 N -0.92 -0.12 -0.92 0.39 -0.02 -1.26 -4.83 135.00 127.31 3iir n PRO 88 Ca -0.07 0.03 -0.07 0.00 -2.02 0.00 0.00 63.50 61.37 3iir n PRO 88 Cb 0.55 -2.18 0.26 0.00 -0.02 0.00 0.00 33.50 32.11 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 -3.54 2.66 -2.54 3.45 -2.24 -1.26 -1.78 114.28 109.03 3iir n THR 89 Ca 0.11 -1.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.03 3iir n THR 89 Cb 0.52 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.70 4.43 0.45 2.28 1.01 -1.26 -2.75 120.40 121.86 3iir s VAL 90 Ca 0.49 1.74 -0.25 0.00 0.00 0.00 0.00 61.98 63.96 3iir s VAL 90 Cb 0.39 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 3iir s VAL 90 CO 0.12 0.02 1.39 0.79 0.00 0.00 0.00 175.10 177.42 3iir n TRP 91 N 4.92 2.53 -3.75 5.22 7.02 0.91 -1.22 117.44 133.06 3iir n TRP 91 Ca 0.10 0.45 -0.12 0.00 -1.02 0.00 0.00 57.50 56.91 3iir n TRP 91 Cb 0.47 -2.43 -0.08 0.00 -2.42 0.00 0.00 31.31 26.85 3iir n TRP 91 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 3iir s ARG 92 N -2.41 0.76 0.02 -0.99 1.70 -0.95 -4.58 118.95 112.49 3iir s ARG 92 Ca 0.62 -0.37 -0.30 0.00 -0.47 0.00 0.00 55.73 55.20 3iir s ARG 92 Cb -0.46 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.21 3iir s ARG 92 CO 0.57 -0.23 1.10 0.54 -1.08 0.00 0.00 175.30 176.20 3iir s VAL 93 N -2.05 4.44 1.02 4.99 0.11 -0.57 -0.90 120.40 127.44 3iir s VAL 93 Ca -0.08 1.75 -0.16 0.00 -2.93 0.00 0.00 61.98 60.55 3iir s VAL 93 Cb -0.03 -4.12 0.21 0.00 -1.53 0.00 0.00 36.38 30.92 3iir s VAL 93 CO -0.00 0.12 1.23 -0.62 -3.33 0.00 0.00 175.10 172.50 3iir s ASP 94 N 1.07 2.59 0.79 3.54 -1.08 -0.12 -4.90 116.67 118.57 3iir s ASP 94 Ca 0.55 0.48 -0.11 0.00 -0.52 0.00 0.00 52.55 52.95 3iir s ASP 94 Cb -0.25 -0.66 0.07 0.00 -1.46 0.00 0.00 42.92 40.61 3iir s ASP 94 CO 0.28 -3.08 1.09 0.20 0.52 0.00 0.00 175.17 174.17 3iir s ASN 95 N -4.49 4.43 0.14 -0.34 0.02 -1.26 -4.68 114.94 108.75 3iir s ASN 95 Ca 0.71 1.65 -0.21 0.00 -1.02 0.00 0.00 52.86 53.99 3iir s ASN 95 Cb -0.07 -2.38 -0.00 0.00 0.02 0.00 0.00 41.25 38.82 3iir s ASN 95 CO 0.54 -2.06 1.68 0.22 0.02 0.00 0.00 177.10 177.50 3iir h TYR 96 N -1.14 -0.28 -3.64 2.20 3.20 -1.98 -3.42 116.97 111.92 3iir h TYR 96 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3iir h TYR 96 Cb 1.24 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.67 3iir h TYR 96 CO 0.54 -0.18 -0.18 -3.47 -1.64 0.00 0.00 178.16 173.23 3iir n ASP 97 N -5.27 -3.71 0.09 -2.11 4.64 -1.26 -3.80 116.55 105.12 3iir n ASP 97 Ca -0.02 0.22 0.00 0.00 -1.38 0.00 0.00 54.79 53.61 3iir n ASP 97 Cb 0.19 -2.25 0.30 0.00 -1.04 0.00 0.00 41.12 38.32 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 0.65 0.30 -0.55 -0.67 0.11 -1.93 -2.10 132.00 127.80 3iir h PRO 98 Ca 0.00 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 3iir h PRO 98 Cb 0.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 3iir h PRO 98 CO 0.05 0.51 0.19 0.66 -0.21 0.00 0.00 178.00 179.20 3iir h SER 99 N 0.27 0.75 -0.00 -2.05 4.64 -1.98 -2.90 113.55 112.28 3iir h SER 99 Ca 0.05 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3iir h SER 99 Cb 0.55 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3iir h SER 99 CO 0.04 0.70 -0.63 0.54 -0.87 0.00 0.00 176.83 176.60 3iir n ARG 100 N -4.31 1.54 -3.44 4.77 1.74 -1.21 -5.01 116.66 110.74 3iir n ARG 100 Ca 0.04 -0.31 -0.18 0.00 -0.77 0.00 0.00 57.85 56.64 3iir n ARG 100 Cb 0.19 -1.30 0.07 0.00 -1.02 0.00 0.00 32.46 30.40 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 1.33 -0.55 3.41 -0.13 0.00 -0.79 -5.01 105.19 103.45 3iir n GLY 101 Ca 0.05 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.27 0.81 -0.65 1.61 1.02 -1.20 -5.07 119.74 110.99 3iir s LYS 102 Ca 0.12 0.27 -0.15 0.00 0.02 0.00 0.00 55.97 56.22 3iir s LYS 102 Cb -0.02 0.38 0.16 0.00 -0.52 0.00 0.00 37.83 37.84 3iir s LYS 102 CO 0.75 -0.21 0.61 -1.58 -0.92 0.00 0.00 175.35 174.00 3iir s TRP 103 N -0.79 3.44 0.47 3.18 0.52 -1.26 -4.33 118.94 120.17 3iir s TRP 103 Ca -0.09 -1.55 -0.13 0.00 0.02 0.00 0.00 56.10 54.35 3iir s TRP 103 Cb -0.03 -3.81 -0.07 0.00 -1.15 0.00 0.00 33.47 28.41 3iir s TRP 103 CO 0.05 -1.02 0.88 -0.06 0.02 0.00 0.00 176.95 176.83 3iir s PHE 104 N 1.08 3.47 -0.40 -1.98 0.08 -1.26 -1.79 117.98 117.17 3iir s PHE 104 Ca 0.09 1.25 -0.22 0.00 0.12 0.00 0.00 56.93 58.17 3iir s PHE 104 Cb -0.22 -2.61 0.02 0.00 -0.57 0.00 0.00 43.02 39.63 3iir s PHE 104 CO -0.02 -0.26 0.71 0.42 -0.10 0.00 0.00 175.22 175.98 3iir s ILE 105 N -2.53 4.78 0.00 0.64 1.09 -0.30 -0.94 121.20 123.94 3iir s ILE 105 Ca 0.55 0.48 0.00 0.00 -1.10 0.00 0.00 60.65 60.58 3iir s ILE 105 Cb -0.10 -4.20 0.00 0.00 -1.06 0.00 0.00 42.46 37.10 3iir s ILE 105 CO 0.32 -0.52 0.00 1.07 -0.10 0.00 0.00 174.94 175.72 3iir n THR 106 N 5.84 0.00 -4.35 2.92 5.66 -0.08 -2.36 114.28 121.92 3iir n THR 106 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.82 3iir n THR 106 Cb 0.48 -0.20 -0.09 0.00 -1.55 0.00 0.00 70.33 68.96 3iir n THR 106 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3iir s THR 107 N 1.85 0.43 0.00 1.09 2.01 -1.12 -2.25 115.64 117.65 3iir s THR 107 Ca 0.00 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.00 3iir s THR 107 Cb 0.00 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.97 3iir s THR 107 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 3iir n GLY 108 N -0.57 0.92 3.96 4.40 0.00 -0.73 -4.76 105.19 108.40 3iir n GLY 108 Ca 0.00 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 3iir n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iir s GLY 109 N -3.00 1.78 0.19 -0.02 0.00 -0.36 -4.81 107.32 101.10 3iir s GLY 109 Ca 0.00 -1.44 0.09 0.00 0.00 0.00 0.00 44.72 43.37 3iir s GLY 109 CO 0.00 -0.72 -0.09 -1.34 0.00 0.00 0.00 173.10 170.95 3iir s VAL 110 N -3.65 3.19 -0.18 1.40 -7.23 -1.26 -4.51 120.40 108.17 3iir s VAL 110 Ca 0.72 -1.69 -0.00 0.00 -1.81 0.00 0.00 61.98 59.20 3iir s VAL 110 Cb -0.04 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.36 3iir s VAL 110 CO 0.50 -0.13 -0.07 -1.83 -0.31 0.00 0.00 175.10 173.26 3iir s GLU 111 N -2.89 1.67 0.00 4.82 1.03 -1.26 -4.85 118.70 117.21 3iir s GLU 111 Ca 0.25 -0.63 0.00 0.00 0.03 0.00 0.00 54.97 54.63 3iir s GLU 111 Cb -0.09 -2.14 0.00 0.00 -0.80 0.00 0.00 34.13 31.10 3iir s GLU 111 CO 0.15 -0.42 0.00 0.41 -1.33 0.00 0.00 175.26 174.07 3iir n GLY 112 N 4.81 -0.62 0.00 -3.83 0.00 -1.26 -5.18 105.19 99.10 3iir n GLY 112 Ca -0.13 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.23 0.00 -4.71 1.61 2.85 -1.26 -5.00 115.26 108.53 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 4.41 0.00 1.20 0.02 -1.26 -4.59 135.00 134.77 3iir s PRO 114 Ca 0.00 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.81 3iir s PRO 114 Cb 0.00 -3.38 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3iir s PRO 114 CO 0.00 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 3iir n GLY 115 N 3.28 0.73 1.86 0.52 0.00 -1.25 -4.95 105.19 105.37 3iir n GLY 115 Ca 0.10 -0.76 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 0.43 -2.30 0.00 4.61 0.00 -1.26 -4.70 120.51 117.29 3iir n ALA 116 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3iir n ALA 116 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.34 0.00 0.00 0.00 3.00 -1.26 -4.70 117.38 115.76 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 -0.35 5.09 -1.04 -1.26 -4.87 114.28 111.85 3iir n THR 118 Ca 0.00 -0.28 0.09 0.00 -2.04 0.00 0.00 64.05 61.83 3iir n THR 118 Cb 0.00 1.36 0.20 0.00 -1.82 0.00 0.00 70.33 70.07 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 -0.75 0.00 -4.42 5.85 -1.89 0.20 115.31 114.31 3iir h LEU 119 Ca 0.00 0.29 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3iir h LEU 119 Cb 0.18 0.56 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3iir h LEU 119 CO 0.00 -0.34 0.00 0.29 -0.34 0.00 0.00 178.44 178.05 3iir n LYS 120 N -5.57 0.21 -0.24 1.25 5.02 -1.26 -3.39 118.16 114.18 3iir n LYS 120 Ca 0.19 0.12 0.10 0.00 -2.02 0.00 0.00 58.31 56.69 3iir n LYS 120 Cb 0.60 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.34 2.84 -4.35 4.39 3.02 0.72 -1.51 115.26 119.03 3iir n ASN 121 Ca 0.08 -1.96 -0.34 0.00 -0.03 0.00 0.00 54.58 52.34 3iir n ASN 121 Cb 0.17 -0.31 -0.14 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.38 2.87 0.21 3.10 0.52 -1.22 -4.47 118.94 118.57 3iir s TRP 122 Ca 0.36 -0.74 0.08 0.00 0.02 0.00 0.00 56.10 55.82 3iir s TRP 122 Cb 0.19 -1.93 -0.05 0.00 -1.15 0.00 0.00 33.47 30.54 3iir s TRP 122 CO 0.26 -0.32 -0.16 -0.06 0.02 0.00 0.00 176.95 176.69 3iir s PHE 123 N 0.72 1.80 0.14 -1.98 0.08 -0.22 -4.42 117.98 114.10 3iir s PHE 123 Ca -0.05 -0.52 0.07 0.00 0.12 0.00 0.00 56.93 56.55 3iir s PHE 123 Cb -0.15 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 3iir s PHE 123 CO 0.02 0.40 -0.16 0.15 -0.10 0.00 0.00 175.22 175.53 3iir s LYS 124 N -3.44 1.12 -0.21 0.44 1.02 0.64 0.58 119.74 119.89 3iir s LYS 124 Ca 0.22 -1.30 0.01 0.00 0.02 0.00 0.00 55.97 54.92 3iir s LYS 124 Cb -0.02 -1.07 0.03 0.00 -0.52 0.00 0.00 37.83 36.24 3iir s LYS 124 CO 0.08 0.21 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.05 3iir s LEU 125 N -2.51 2.55 0.09 3.17 1.02 -1.26 -0.49 118.68 121.25 3iir s LEU 125 Ca 0.11 -0.82 0.09 0.00 0.02 0.00 0.00 54.13 53.54 3iir s LEU 125 Cb -0.05 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 3iir s LEU 125 CO 0.04 -0.05 -0.23 -1.61 0.02 0.00 0.00 176.35 174.52 3iir s GLU 126 N 1.26 1.71 0.24 1.70 2.02 -0.60 -1.70 118.70 123.33 3iir s GLU 126 Ca 0.02 -1.19 -0.30 0.00 0.02 0.00 0.00 54.97 53.51 3iir s GLU 126 Cb -0.15 -2.02 -0.11 0.00 0.10 0.00 0.00 34.13 31.95 3iir s GLU 126 CO -0.10 0.49 1.53 -0.98 0.02 0.00 0.00 175.26 176.22 3iir s ARG 127 N -1.79 4.20 0.10 1.61 1.70 -1.26 0.62 118.95 124.13 3iir s ARG 127 Ca 0.15 2.42 -0.16 0.00 -0.47 0.00 0.00 55.73 57.67 3iir s ARG 127 Cb -0.10 -3.09 -0.07 0.00 -0.57 0.00 0.00 34.95 31.12 3iir s ARG 127 CO 0.06 -0.55 1.48 0.28 -1.08 0.00 0.00 175.30 175.49 3iir h VAL 128 N 3.61 1.29 0.00 4.99 2.07 -1.16 -3.44 116.25 123.61 3iir h VAL 128 Ca -0.45 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 65.86 3iir h VAL 128 Cb 1.21 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3iir h VAL 128 CO 0.82 0.39 0.00 0.61 0.02 0.00 0.00 177.57 179.41 3iir n GLY 129 N -0.09 3.06 0.05 2.17 0.00 -1.26 -5.01 105.19 104.12 3iir n GLY 129 Ca -0.03 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.10 0.00 0.00 2.61 5.66 -1.26 -4.86 114.28 115.33 3iir n THR 130 Ca 0.00 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 3iir n THR 130 Cb 0.00 0.94 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 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 -1.34 0.00 0.00 1.09 5.68 -1.26 -5.14 116.55 115.58 3iir n ASP 131 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 3iir n ASP 131 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 -4.94 117.38 118.56 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 2.47 3.39 1.69 0.00 -1.26 -4.86 105.19 106.62 3iir n GLY 133 Ca 0.00 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 3.20 0.16 2.61 2.01 -1.26 -4.64 115.64 117.72 3iir s THR 134 Ca 0.00 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.48 3iir s THR 134 Cb 0.00 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 3iir s THR 134 CO 0.00 0.52 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.95 3iir s TYR 135 N 0.39 1.82 0.21 4.92 2.02 0.10 -0.62 117.35 126.18 3iir s TYR 135 Ca -0.09 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 56.21 3iir s TYR 135 Cb -0.16 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.46 3iir s TYR 135 CO 0.05 0.32 0.08 -1.83 -1.57 0.00 0.00 175.55 172.60 3iir s GLU 136 N -2.76 2.62 -0.17 -0.62 -1.05 0.20 -0.24 118.70 116.69 3iir s GLU 136 Ca 0.15 -1.10 -0.11 0.00 -0.15 0.00 0.00 54.97 53.76 3iir s GLU 136 Cb -0.06 -2.44 -0.05 0.00 -0.44 0.00 0.00 34.13 31.15 3iir s GLU 136 CO 0.06 0.43 0.20 0.42 0.95 0.00 0.00 175.26 177.33 3iir s ILE 137 N -1.93 5.37 -0.01 1.83 1.01 -1.26 -1.56 121.20 124.65 3iir s ILE 137 Ca 0.30 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.34 3iir s ILE 137 Cb -0.09 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 3iir s ILE 137 CO 0.21 0.45 -0.14 -0.69 0.00 0.00 0.00 174.94 174.77 3iir s VAL 138 N 0.19 1.11 -0.34 2.92 1.01 0.35 -0.72 120.40 124.92 3iir s VAL 138 Ca 0.12 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 3iir s VAL 138 Cb -0.12 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3iir s VAL 138 CO 0.01 0.31 0.13 -2.28 0.00 0.00 0.00 175.10 173.27 3iir s HIS 139 N -0.31 3.23 -0.42 5.22 2.46 -0.38 -0.26 115.29 124.82 3iir s HIS 139 Ca 0.05 -1.18 0.04 0.00 0.47 0.00 0.00 55.06 54.44 3iir s HIS 139 Cb -0.06 -2.32 0.28 0.00 -0.13 0.00 0.00 32.58 30.36 3iir s HIS 139 CO -0.00 -0.67 1.11 0.00 -2.47 0.00 0.00 174.74 172.71 3iir s PRO 141 N 0.35 3.77 -0.08 0.00 0.04 -1.26 -4.93 135.00 132.89 3iir s PRO 141 Ca 0.26 2.42 0.15 0.00 0.04 0.00 0.00 61.00 63.87 3iir s PRO 141 Cb 0.25 -2.71 0.51 0.00 0.04 0.00 0.00 34.50 32.60 3iir s PRO 141 CO -0.15 -0.75 1.43 0.43 0.04 0.00 0.00 177.00 178.00 3iir n SER 142 N -0.08 3.79 0.10 6.66 7.64 -1.26 -4.72 113.62 125.76 3iir n SER 142 Ca 0.04 -2.39 0.13 0.00 1.01 0.00 0.00 58.87 57.66 3iir n SER 142 Cb 0.42 -0.43 0.35 0.00 -1.01 0.00 0.00 64.21 63.53 3iir n SER 142 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3iir h VAL 143 N 2.74 0.00 -2.78 0.44 3.04 -1.97 -3.39 116.25 114.33 3iir h VAL 143 Ca 0.00 -0.51 -0.44 0.00 -1.01 0.00 0.00 66.70 64.74 3iir h VAL 143 Cb 1.14 1.44 -0.39 0.00 -2.01 0.00 0.00 31.29 31.47 3iir h VAL 143 CO 0.13 0.00 -0.72 0.00 -1.01 0.00 0.00 177.57 175.97 3iir h LYS 145 N 8.38 0.00 -0.40 0.00 -0.00 -1.96 -3.00 116.57 119.60 3iir h LYS 145 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.48 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 0.33 0.15 0.00 -1.13 -0.00 0.00 0.00 179.45 178.80 3iir n SER 146 N -3.25 3.17 -4.85 7.07 3.41 -1.26 -5.02 113.62 112.90 3iir n SER 146 Ca 0.01 -1.92 -0.32 0.00 -0.26 0.00 0.00 58.87 56.38 3iir n SER 146 Cb 0.42 -0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 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 -2.40 5.05 0.06 0.00 1.01 -1.26 -5.05 120.40 117.80 3iir s VAL 148 Ca 0.57 1.18 -0.05 0.00 0.00 0.00 0.00 61.98 63.69 3iir s VAL 148 Cb -0.10 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3iir s VAL 148 CO 0.26 0.16 0.08 0.72 0.00 0.00 0.00 175.10 176.32 3iir s PHE 149 N 1.55 0.29 0.53 5.22 -0.12 -1.26 -5.15 117.98 119.05 3iir s PHE 149 Ca 0.29 -0.71 -0.17 0.00 -0.05 0.00 0.00 56.93 56.29 3iir s PHE 149 Cb -0.16 -0.20 -0.07 0.00 -0.63 0.00 0.00 43.02 41.96 3iir s PHE 149 CO 0.11 -0.41 1.02 -0.51 -0.05 0.00 0.00 175.22 175.38 3iir s LEU 150 N -2.57 3.63 -0.41 -1.99 1.43 -1.26 -5.04 118.68 112.47 3iir s LEU 150 Ca 0.01 1.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.88 3iir s LEU 150 Cb 0.03 -4.53 0.17 0.00 0.03 0.00 0.00 46.19 41.89 3iir s LEU 150 CO -0.08 -0.82 0.42 0.00 0.23 0.00 0.00 176.35 176.10 3iir s ASN 152 N 0.84 0.01 0.74 0.00 0.01 0.56 -4.94 114.94 112.16 3iir s ASN 152 Ca 0.25 -0.24 -0.14 0.00 -0.71 0.00 0.00 52.86 52.02 3iir s ASN 152 Cb -0.07 0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.88 3iir s ASN 152 CO -0.08 -0.45 1.16 -1.81 -1.51 0.00 0.00 177.10 174.40 3iir s ASP 153 N -1.65 4.35 -0.13 -1.22 -0.00 -1.26 -1.25 116.67 115.51 3iir s ASP 153 Ca -0.11 2.16 -0.07 0.00 -0.00 0.00 0.00 52.55 54.53 3iir s ASP 153 Cb -0.05 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.92 40.26 3iir s ASP 153 CO -0.00 -2.15 0.12 -0.69 -0.00 0.00 0.00 175.17 172.45 3iir s VAL 154 N -2.28 5.37 0.16 -1.27 1.01 0.10 -0.46 120.40 123.03 3iir s VAL 154 Ca 0.70 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.85 3iir s VAL 154 Cb -0.24 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 3iir s VAL 154 CO 0.47 0.58 0.19 0.61 0.00 0.00 0.00 175.10 176.95 3iir n GLY 155 N 2.33 2.98 3.41 4.51 0.00 -0.35 -4.58 105.19 113.50 3iir n GLY 155 Ca -0.19 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.62 3.93 -0.72 1.61 0.11 -1.26 -1.36 120.40 120.09 3iir s VAL 156 Ca 0.15 -0.31 -0.24 0.00 -2.93 0.00 0.00 61.98 58.66 3iir s VAL 156 Cb 0.00 -2.80 0.06 0.00 -1.53 0.00 0.00 36.38 32.10 3iir s VAL 156 CO 0.11 0.39 1.11 -0.55 -3.33 0.00 0.00 175.10 172.84 3iir s SER 157 N 1.37 6.21 0.41 3.54 0.15 0.42 -4.87 113.70 120.93 3iir s SER 157 Ca 0.05 -0.87 0.18 0.00 0.70 0.00 0.00 55.95 56.01 3iir s SER 157 Cb -0.15 -2.48 0.91 0.00 -1.71 0.00 0.00 66.02 62.60 3iir s SER 157 CO 0.01 -1.57 1.87 1.88 1.20 0.00 0.00 173.24 176.63 3iir h TYR 158 N 9.71 0.00 0.00 3.44 0.05 -1.92 -2.30 116.97 125.95 3iir h TYR 158 Ca -0.24 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.54 3iir h TYR 158 Cb 1.06 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.80 3iir h TYR 158 CO 1.05 0.30 -0.02 -0.44 -1.05 0.00 0.00 178.16 178.00 3iir h ASP 159 N 0.00 0.00 -1.38 3.88 5.19 -1.96 -3.30 116.42 118.85 3iir h ASP 159 Ca -0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.90 3iir h ASP 159 Cb 0.62 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.72 3iir h ASP 159 CO 0.04 0.02 -0.91 -1.22 -3.12 0.00 0.00 179.24 174.05 3iir n TYR 160 N -3.60 2.54 -3.56 4.55 4.02 -0.91 -4.92 117.16 115.28 3iir n TYR 160 Ca -0.03 -3.06 -0.22 0.00 -0.01 0.00 0.00 57.90 54.58 3iir n TYR 160 Cb 0.11 -0.22 0.05 0.00 -0.02 0.00 0.00 39.34 39.26 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 -0.30 -3.52 -1.88 -0.72 0.63 -1.24 -3.16 116.66 106.47 3iir n ARG 161 Ca 0.27 0.66 -0.16 0.00 -0.92 0.00 0.00 57.85 57.71 3iir n ARG 161 Cb 0.70 -5.15 -0.04 0.00 0.45 0.00 0.00 32.46 28.42 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 -3.98 -1.63 -2.26 -0.14 1.74 -0.93 -4.78 116.66 104.68 3iir n ARG 162 Ca -0.19 0.88 -0.36 0.00 -0.77 0.00 0.00 57.85 57.40 3iir n ARG 162 Cb 0.64 -5.32 -0.01 0.00 -1.02 0.00 0.00 32.46 26.76 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 -4.09 3.61 0.17 5.56 0.52 -1.18 -1.76 118.95 121.78 3iir s ARG 163 Ca 0.00 1.71 -0.25 0.00 -0.52 0.00 0.00 55.73 56.67 3iir s ARG 163 Cb 0.00 -2.25 -0.08 0.00 0.52 0.00 0.00 34.95 33.14 3iir s ARG 163 CO 0.00 -0.66 0.78 -0.51 0.02 0.00 0.00 175.30 174.93 3iir s LEU 164 N -3.32 4.59 0.08 2.53 1.02 -0.70 -0.44 118.68 122.44 3iir s LEU 164 Ca 0.67 1.65 -0.15 0.00 0.02 0.00 0.00 54.13 56.32 3iir s LEU 164 Cb -0.27 -3.32 0.03 0.00 0.02 0.00 0.00 46.19 42.65 3iir s LEU 164 CO 0.32 0.20 0.36 0.00 0.02 0.00 0.00 176.35 177.25 3iir s ALA 165 N -1.16 -0.82 0.65 4.21 0.00 -0.46 -1.15 121.76 123.03 3iir s ALA 165 Ca 0.36 -0.00 -0.17 0.00 0.00 0.00 0.00 51.96 52.15 3iir s ALA 165 Cb -0.23 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 3iir s ALA 165 CO 0.26 -0.53 1.24 -0.51 0.00 0.00 0.00 175.76 176.22 3iir s LEU 166 N -2.43 3.53 0.01 0.00 1.43 -0.74 -1.21 118.68 119.28 3iir s LEU 166 Ca -0.01 2.47 0.03 0.00 -1.03 0.00 0.00 54.13 55.59 3iir s LEU 166 Cb 0.01 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 3iir s LEU 166 CO -0.07 -1.94 -0.11 0.28 0.23 0.00 0.00 176.35 174.74 3iir s THR 167 N -1.63 0.82 -1.98 5.49 -1.32 0.39 -4.70 115.64 112.71 3iir s THR 167 Ca 0.78 -0.65 0.16 0.00 -1.21 0.00 0.00 61.69 60.78 3iir s THR 167 Cb -0.33 -0.73 0.45 0.00 -1.51 0.00 0.00 72.50 70.39 3iir s THR 167 CO 0.39 0.08 1.38 0.00 -2.21 0.00 0.00 174.62 174.26 3iir n ALA 168 N 2.42 2.09 -2.63 11.08 0.00 -1.26 -4.07 120.51 128.15 3iir n ALA 168 Ca -0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 3iir n ALA 168 Cb 0.56 -1.26 0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 0.01 0.55 2.16 0.00 0.00 -1.26 -4.95 105.19 101.70 3iir n GLY 169 Ca 0.12 -0.45 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.05 0.37 -0.22 1.61 0.23 -1.26 -4.89 115.26 111.14 3iir n ASN 170 Ca -0.01 -2.05 0.04 0.00 -0.53 0.00 0.00 54.58 52.02 3iir n ASN 170 Cb 0.52 -0.06 0.01 0.00 -2.08 0.00 0.00 39.78 38.17 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 -0.42 1.76 -0.19 -3.83 4.07 -1.26 -5.08 120.64 115.70 3iir n GLU 171 Ca -0.04 -0.64 0.00 0.00 -0.06 0.00 0.00 57.16 56.42 3iir n GLU 171 Cb 0.89 -1.05 0.00 0.00 -0.06 0.00 0.00 31.44 31.22 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 -0.12 0.00 -1.74 5.31 0.63 -1.26 -4.97 116.66 114.51 3iir n ARG 172 Ca 0.04 0.19 -0.42 0.00 -0.92 0.00 0.00 57.85 56.73 3iir n ARG 172 Cb 0.18 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.07 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 0.27 1.03 -3.06 5.15 0.31 -1.26 -4.93 118.33 115.83 3iir n VAL 173 Ca 0.00 -0.26 -0.44 0.00 -0.01 0.00 0.00 64.34 63.63 3iir n VAL 173 Cb 0.00 -1.90 -0.04 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 -0.03 3.02 0.21 3.52 5.36 -1.26 -5.03 117.98 123.78 3iir s PHE 174 Ca 0.64 -1.04 -0.01 0.00 -0.96 0.00 0.00 56.93 55.56 3iir s PHE 174 Cb -0.52 -4.09 -0.04 0.00 -0.34 0.00 0.00 43.02 38.03 3iir s PHE 174 CO 0.49 -1.36 0.41 0.20 -1.46 0.00 0.00 175.22 173.50 3iir s GLY 175 N 3.52 1.80 -0.01 13.12 0.00 -1.26 -4.55 107.32 119.94 3iir s GLY 175 Ca 0.17 -0.79 -0.10 0.00 0.00 0.00 0.00 44.72 44.00 3iir s GLY 175 CO 0.03 -0.74 0.20 0.54 0.00 0.00 0.00 173.10 173.14 3iir s VAL 176 N -1.90 0.06 0.13 1.40 0.11 0.67 -2.74 120.40 118.13 3iir s VAL 176 Ca 0.39 -0.53 0.10 0.00 -2.93 0.00 0.00 61.98 59.01 3iir s VAL 176 Cb -0.11 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 3iir s VAL 176 CO 0.29 -0.29 -0.25 0.68 -3.33 0.00 0.00 175.10 172.20 3iir s VAL 177 N -1.17 2.09 -0.33 2.04 -7.23 0.07 -0.72 120.40 115.15 3iir s VAL 177 Ca -0.12 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.22 3iir s VAL 177 Cb -0.06 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 3iir s VAL 177 CO 0.02 0.02 0.18 -0.63 -0.31 0.00 0.00 175.10 174.38 3iir s ILE 178 N -1.17 4.81 -0.22 -0.62 1.01 -1.26 -2.21 121.20 121.54 3iir s ILE 178 Ca 0.12 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 3iir s ILE 178 Cb -0.10 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 3iir s ILE 178 CO 0.06 0.01 0.02 -0.69 0.00 0.00 0.00 174.94 174.34 3iir s VAL 179 N 1.64 4.01 -0.17 2.92 1.01 0.14 -0.73 120.40 129.22 3iir s VAL 179 Ca 0.05 -0.29 0.22 0.00 0.00 0.00 0.00 61.98 61.97 3iir s VAL 179 Cb -0.17 -2.84 0.23 0.00 0.00 0.00 0.00 36.38 33.60 3iir s VAL 179 CO 0.08 0.40 1.69 -2.65 0.00 0.00 0.00 175.10 174.61 3iir n PRO 180 N 4.55 0.15 0.00 2.72 -0.02 -1.26 -0.52 135.00 140.61 3iir n PRO 180 Ca -0.17 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3iir n PRO 180 Cb 0.51 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3iir n PRO 180 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iir n ALA 181 N -1.79 0.00 -2.16 3.55 0.00 -1.26 -4.57 120.51 114.29 3iir n ALA 181 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.02 3iir n ALA 181 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 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 7.43 0.94 0.00 0.02 -1.26 -4.99 114.94 117.07 3iir s ASN 182 Ca 0.00 1.70 -0.12 0.00 -1.02 0.00 0.00 52.86 53.42 3iir s ASN 182 Cb 0.00 -2.54 0.20 0.00 0.02 0.00 0.00 41.25 38.93 3iir s ASN 182 CO 0.00 0.05 1.22 -1.84 0.02 0.00 0.00 177.10 176.55 3iir n GLU 183 N 2.34 -0.99 -2.40 -0.60 -0.00 -1.26 -4.34 120.64 113.39 3iir n GLU 183 Ca -0.01 -2.16 -0.39 0.00 -0.00 0.00 0.00 57.16 54.61 3iir n GLU 183 Cb 0.49 -1.17 -0.03 0.00 -0.00 0.00 0.00 31.44 30.73 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 -5.64 0.80 -0.31 -1.84 0.00 -1.26 -5.11 107.32 93.97 3iir s GLY 184 Ca 0.71 -1.57 -0.09 0.00 0.00 0.00 0.00 44.72 43.77 3iir s GLY 184 CO 0.49 2.90 1.00 -0.45 0.00 0.00 0.00 173.10 177.05 3iir s SER 185 N 5.45 -0.51 0.00 1.64 0.15 -1.26 -5.04 113.70 114.12 3iir s SER 185 Ca 0.49 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.13 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 0.05 -0.09 0.67 0.00 1.20 0.00 0.00 173.24 175.08 3iir n ALA 186 N 4.82 1.46 -2.44 5.45 0.00 -1.26 -4.74 120.51 123.81 3iir n ALA 186 Ca 0.08 -0.67 -0.25 0.00 0.00 0.00 0.00 53.44 52.61 3iir n ALA 186 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.42 3.07 -0.74 0.00 0.01 -1.26 -5.11 113.70 109.24 3iir s SER 187 Ca 0.00 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.42 3iir s SER 187 Cb 0.00 -0.21 0.18 0.00 0.21 0.00 0.00 66.02 66.21 3iir s SER 187 CO 0.00 0.05 0.57 0.00 0.41 0.00 0.00 173.24 174.27 3iir s VAL 189 N -1.08 -0.72 -2.73 0.00 1.01 -1.26 -5.25 120.40 110.37 3iir s VAL 189 Ca 0.24 0.05 0.26 0.00 0.00 0.00 0.00 61.98 62.53 3iir s VAL 189 Cb -0.10 -0.90 0.39 0.00 0.00 0.00 0.00 36.38 35.77 3iir s VAL 189 CO -0.11 0.02 1.53 -1.20 0.00 0.00 0.00 175.10 175.33