#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir s ARG 4 N 0.00 2.80 0.00 -0.72 1.81 -1.26 0.17 118.95 121.75 3kir s ARG 4 Ca 0.00 -0.96 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 3kir s ARG 4 Cb 0.00 -2.65 0.00 0.00 -0.45 0.00 0.00 34.95 31.85 3kir s ARG 4 CO 0.00 -0.37 0.00 -0.11 -0.68 0.00 0.00 175.30 174.14 3kir n LEU 5 N -2.01 0.00 0.00 2.53 0.00 -1.18 -4.80 117.00 111.54 3kir n LEU 5 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 56.01 56.07 3kir n LEU 5 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.01 3kir n LEU 5 CO 0.42 0.00 0.00 0.29 0.00 0.00 0.00 177.39 178.11 3kir n LYS 6 N 0.00 -0.76 0.00 1.96 4.01 -1.26 -2.90 118.16 119.21 3kir n LYS 6 Ca 0.00 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 3kir n LYS 6 Cb 0.00 -0.03 0.00 0.00 -0.51 0.00 0.00 35.03 34.49 3kir n LYS 6 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kir n ALA 7 N -2.09 0.00 -2.56 7.82 0.00 -1.12 -4.32 120.51 118.24 3kir n ALA 7 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3kir n ALA 7 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3kir n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kir s TYR 8 N -2.00 0.15 0.05 0.00 1.51 -1.17 -4.15 117.35 111.73 3kir s TYR 8 Ca 0.00 -0.57 -0.22 0.00 -1.01 0.00 0.00 57.07 55.26 3kir s TYR 8 Cb 0.00 -0.06 -0.06 0.00 -0.11 0.00 0.00 41.96 41.73 3kir s TYR 8 CO 0.00 -0.54 0.67 0.71 -1.11 0.00 0.00 175.55 175.28 3kir s TYR 9 N -3.82 3.75 -0.12 2.71 4.12 -1.26 -2.47 117.35 120.25 3kir s TYR 9 Ca 0.05 1.35 -0.03 0.00 0.02 0.00 0.00 57.07 58.46 3kir s TYR 9 Cb 0.05 -2.68 -0.03 0.00 -1.52 0.00 0.00 41.96 37.78 3kir s TYR 9 CO -0.11 0.39 -0.00 0.50 0.02 0.00 0.00 175.55 176.35 3kir s ARG 10 N -0.42 3.34 -0.01 -0.62 3.52 -0.77 -4.89 118.95 119.09 3kir s ARG 10 Ca 0.34 -0.43 0.12 0.00 -0.13 0.00 0.00 55.73 55.62 3kir s ARG 10 Cb -0.20 -2.89 -0.16 0.00 -1.56 0.00 0.00 34.95 30.14 3kir s ARG 10 CO 0.20 0.50 0.36 0.39 -0.81 0.00 0.00 175.30 175.95 3kir n GLU 11 N 2.78 1.58 0.00 5.12 4.71 -1.26 -4.66 120.64 128.91 3kir n GLU 11 Ca -0.18 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 56.91 3kir n GLU 11 Cb 0.53 -1.18 0.00 0.00 -1.01 0.00 0.00 31.44 29.78 3kir n GLU 11 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kir n GLY 12 N 1.58 0.29 2.76 0.62 0.00 -1.26 -5.14 105.19 104.05 3kir n GLY 12 Ca -0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 3kir n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kir s GLU 13 N 0.00 0.99 0.00 1.61 8.01 -1.26 -5.02 118.70 123.03 3kir s GLU 13 Ca 0.00 -1.48 0.00 0.00 0.01 0.00 0.00 54.97 53.50 3kir s GLU 13 Cb 0.00 -2.25 0.00 0.00 -4.31 0.00 0.00 34.13 27.57 3kir s GLU 13 CO 0.00 -1.04 0.00 1.63 0.01 0.00 0.00 175.26 175.86 3kir n LYS 14 N 4.35 -0.45 0.00 1.61 5.02 -1.26 -4.60 118.16 122.83 3kir n LYS 14 Ca 0.02 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 3kir n LYS 14 Cb 0.40 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 3kir n LYS 14 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kir n PRO 15 N 1.43 0.12 -0.12 1.97 -0.04 -1.26 -1.73 135.00 135.36 3kir n PRO 15 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 3kir n PRO 15 Cb 0.12 -1.03 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 3kir n PRO 15 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kir n SER 16 N -0.08 1.95 -0.23 3.54 3.41 -1.26 -4.27 113.62 116.68 3kir n SER 16 Ca 0.00 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3kir n SER 16 Cb 0.01 -0.80 0.12 0.00 -0.26 0.00 0.00 64.21 63.28 3kir n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kir h ALA 17 N -0.99 0.89 -0.73 7.33 0.00 -1.63 0.58 119.26 124.71 3kir h ALA 17 Ca -0.46 0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.66 3kir h ALA 17 Cb 1.40 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 3kir h ALA 17 CO -0.28 -0.07 0.17 -0.07 0.00 0.00 0.00 179.25 179.00 3kir h LEU 18 N 0.56 0.00 -0.11 0.00 4.07 -1.78 0.32 115.31 118.37 3kir h LEU 18 Ca 0.32 0.15 -0.23 0.00 0.08 0.00 0.00 57.88 58.20 3kir h LEU 18 Cb 0.32 0.20 0.01 0.00 1.08 0.00 0.00 40.66 42.27 3kir h LEU 18 CO -0.25 -0.04 -0.81 0.03 -1.08 0.00 0.00 178.44 176.29 3kir h ARG 19 N 0.26 0.75 -0.74 1.13 3.08 -1.12 0.16 114.38 117.90 3kir h ARG 19 Ca 0.41 -0.65 0.20 0.00 0.07 0.00 0.00 59.98 60.01 3kir h ARG 19 Cb 0.71 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 3kir h ARG 19 CO -0.51 1.25 0.52 -0.09 -1.07 0.00 0.00 179.97 180.07 3kir h ARG 20 N 0.46 0.07 0.00 0.04 9.65 0.33 -2.89 114.38 122.04 3kir h ARG 20 Ca -0.07 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3kir h ARG 20 Cb 1.45 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.01 3kir h ARG 20 CO 0.17 0.05 0.00 0.00 2.80 0.00 0.00 179.97 182.98 3kir n ALA 21 N -2.65 0.00 0.00 2.80 0.00 0.80 -4.97 120.51 116.49 3kir n ALA 21 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3kir n ALA 21 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 3kir n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 22 N 2.04 0.00 3.01 0.00 0.00 -1.09 -5.12 105.19 104.03 3kir n GLY 22 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3kir n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir s LYS 23 N 0.00 1.84 0.26 1.61 1.02 0.54 -1.06 119.74 123.95 3kir s LYS 23 Ca 0.00 -1.38 -0.30 0.00 0.02 0.00 0.00 55.97 54.31 3kir s LYS 23 Cb 0.00 -2.85 -0.11 0.00 -0.52 0.00 0.00 37.83 34.35 3kir s LYS 23 CO 0.00 -0.68 1.51 -1.17 -0.92 0.00 0.00 175.35 174.09 3kir s LEU 24 N 1.15 4.37 0.06 3.17 0.20 -1.14 -2.94 118.68 123.55 3kir s LEU 24 Ca -0.03 2.78 -0.22 0.00 0.69 0.00 0.00 54.13 57.35 3kir s LEU 24 Cb -0.19 -3.63 -0.06 0.00 -0.43 0.00 0.00 46.19 41.88 3kir s LEU 24 CO -0.07 -0.79 0.65 -2.16 -0.29 0.00 0.00 176.35 173.68 3kir s PRO 25 N -0.33 4.35 0.00 0.98 0.04 -1.26 -1.53 135.00 137.25 3kir s PRO 25 Ca 0.62 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.52 3kir s PRO 25 Cb -0.44 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 30.80 3kir s PRO 25 CO 0.44 0.49 0.00 0.41 0.04 0.00 0.00 177.00 178.39 3kir n GLY 26 N 2.01 4.89 3.58 0.56 0.00 -1.16 -2.92 105.19 112.16 3kir n GLY 26 Ca -0.07 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3kir n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir s VAL 27 N -1.03 0.00 -0.11 1.61 0.11 -0.04 -2.69 120.40 118.25 3kir s VAL 27 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3kir s VAL 27 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 3kir s VAL 27 CO 0.00 0.00 -0.11 0.00 -3.33 0.00 0.00 175.10 171.66 3kir s MET 28 N -0.78 1.83 0.04 1.54 0.23 0.12 -0.03 119.30 122.25 3kir s MET 28 Ca -0.03 -0.40 -0.09 0.00 -1.03 0.00 0.00 55.69 54.14 3kir s MET 28 Cb -0.01 -1.68 0.00 0.00 -1.53 0.00 0.00 34.83 31.60 3kir s MET 28 CO 0.02 -0.15 0.19 1.52 -2.03 0.00 0.00 175.02 174.57 3kir s TYR 29 N 1.26 0.07 -0.23 3.16 -0.85 -0.88 0.21 117.35 120.09 3kir s TYR 29 Ca -0.02 -0.31 -0.27 0.00 -0.52 0.00 0.00 57.07 55.95 3kir s TYR 29 Cb -0.14 -0.04 0.11 0.00 0.38 0.00 0.00 41.96 42.28 3kir s TYR 29 CO -0.04 -0.44 0.96 0.54 -1.52 0.00 0.00 175.55 175.05 3kir s ASN 30 N -2.15 -0.48 0.00 -0.18 4.22 0.12 -3.12 114.94 113.35 3kir s ASN 30 Ca -0.04 0.80 0.00 0.00 -2.14 0.00 0.00 52.86 51.47 3kir s ASN 30 Cb -0.01 0.76 0.00 0.00 1.28 0.00 0.00 41.25 43.29 3kir s ASN 30 CO -0.04 -0.25 0.00 0.54 -2.04 0.00 0.00 177.10 175.30 3kir n ARG 31 N 1.76 0.00 0.00 3.55 1.74 -1.26 -1.53 116.66 120.92 3kir n ARG 31 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3kir n ARG 31 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 3kir n ARG 31 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kir n HIS 32 N -1.87 0.00 -3.42 -1.55 8.25 -1.26 -4.99 115.22 110.38 3kir n HIS 32 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 3kir n HIS 32 Cb 0.00 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 3kir n HIS 32 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3kir s LEU 33 N -3.55 4.09 -0.19 2.41 2.96 -0.58 -5.10 118.68 118.72 3kir s LEU 33 Ca 0.00 0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 54.51 3kir s LEU 33 Cb 0.00 -3.45 0.10 0.00 0.50 0.00 0.00 46.19 43.34 3kir s LEU 33 CO 0.00 -0.16 0.34 0.21 -1.32 0.00 0.00 176.35 175.41 3kir s ASN 34 N -3.17 0.28 0.01 3.68 3.04 -1.26 0.12 114.94 117.65 3kir s ASN 34 Ca 0.43 0.48 0.01 0.00 0.04 0.00 0.00 52.86 53.82 3kir s ASN 34 Cb -0.11 0.97 -0.01 0.00 -1.54 0.00 0.00 41.25 40.56 3kir s ASN 34 CO 0.30 -0.27 -0.03 -0.13 -3.04 0.00 0.00 177.10 173.93 3kir s ARG 35 N 2.50 0.27 -0.06 0.43 1.81 0.56 -4.95 118.95 119.51 3kir s ARG 35 Ca 0.05 -0.34 -0.20 0.00 -1.72 0.00 0.00 55.73 53.51 3kir s ARG 35 Cb -0.14 -0.11 -0.05 0.00 -0.45 0.00 0.00 34.95 34.21 3kir s ARG 35 CO -0.12 0.02 0.58 -1.59 -0.68 0.00 0.00 175.30 173.51 3kir s LYS 36 N -0.70 4.35 0.00 3.54 -2.85 -1.26 0.15 119.74 122.96 3kir s LYS 36 Ca -0.06 0.68 0.00 0.00 -1.00 0.00 0.00 55.97 55.59 3kir s LYS 36 Cb -0.05 -3.40 0.00 0.00 -2.06 0.00 0.00 37.83 32.32 3kir s LYS 36 CO -0.00 0.23 0.00 1.33 0.10 0.00 0.00 175.35 177.01 3kir n VAL 37 N 3.28 0.00 -3.20 1.79 0.24 -1.09 -1.85 118.33 117.48 3kir n VAL 37 Ca -0.06 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.29 3kir n VAL 37 Cb 0.51 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 3kir n VAL 37 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3kir s TYR 38 N 0.14 -0.32 0.00 6.34 -0.85 -1.03 -2.97 117.35 118.66 3kir s TYR 38 Ca 0.00 0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.99 3kir s TYR 38 Cb 0.00 0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.49 3kir s TYR 38 CO 0.00 -0.17 0.00 1.33 -1.52 0.00 0.00 175.55 175.19 3kir n VAL 39 N 5.10 0.00 -5.22 -3.49 0.24 -0.58 -3.04 118.33 111.33 3kir n VAL 39 Ca -0.08 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.91 3kir n VAL 39 Cb 0.54 -1.29 -0.16 0.00 -1.47 0.00 0.00 33.84 31.46 3kir n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kir s ASP 40 N -1.00 3.23 0.00 -1.34 -1.08 -1.26 -2.89 116.67 112.32 3kir s ASP 40 Ca 0.00 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 3kir s ASP 40 Cb 0.00 -0.58 0.00 0.00 -1.46 0.00 0.00 42.92 40.88 3kir s ASP 40 CO 0.00 0.30 0.80 -0.11 0.52 0.00 0.00 175.17 176.68 3kir n LEU 41 N 2.58 0.00 0.00 -1.34 -0.00 -0.22 -2.14 117.00 115.87 3kir n LEU 41 Ca -0.17 0.80 0.00 0.00 -0.00 0.00 0.00 56.01 56.64 3kir n LEU 41 Cb 0.51 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 3kir n LEU 41 CO 0.24 -0.30 0.24 0.55 -0.00 0.00 0.00 177.39 178.13 3kir n VAL 42 N -1.91 0.00 -0.26 1.96 3.14 -1.26 -1.02 118.33 118.98 3kir n VAL 42 Ca 0.00 0.80 -0.02 0.00 -2.96 0.00 0.00 64.34 62.16 3kir n VAL 42 Cb 0.00 -1.11 0.10 0.00 -1.06 0.00 0.00 33.84 31.77 3kir n VAL 42 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 3kir h GLU 43 N 0.00 0.82 -0.84 1.45 9.09 -1.97 -0.83 114.58 122.29 3kir h GLU 43 Ca 0.00 -0.05 0.16 0.00 0.05 0.00 0.00 59.36 59.53 3kir h GLU 43 Cb 0.00 -0.18 -0.06 0.00 -1.65 0.00 0.00 28.75 26.85 3kir h GLU 43 CO 0.00 0.54 0.55 0.35 0.05 0.00 0.00 179.01 180.51 3kir h PHE 44 N 0.84 0.60 0.00 2.06 3.04 -0.80 0.17 116.94 122.86 3kir h PHE 44 Ca 0.31 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.28 3kir h PHE 44 Cb 0.11 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.43 3kir h PHE 44 CO -0.05 0.20 0.00 -3.47 -2.02 0.00 0.00 178.31 172.97 3kir n ASP 45 N -4.51 0.00 -0.31 0.41 4.64 -0.19 -0.76 116.55 115.84 3kir n ASP 45 Ca 0.17 0.62 -0.03 0.00 -1.38 0.00 0.00 54.79 54.17 3kir n ASP 45 Cb 0.57 -0.12 0.01 0.00 -1.04 0.00 0.00 41.12 40.54 3kir n ASP 45 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3kir n LYS 46 N -0.95 -0.22 0.00 -0.67 4.81 -0.95 -0.27 118.16 119.91 3kir n LYS 46 Ca 0.00 1.19 0.00 0.00 -0.87 0.00 0.00 58.31 58.63 3kir n LYS 46 Cb 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.28 3kir n LYS 46 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3kir n VAL 47 N -5.11 0.00 -0.30 3.15 0.31 0.01 -2.77 118.33 113.62 3kir n VAL 47 Ca 0.06 1.28 0.28 0.00 -0.01 0.00 0.00 64.34 65.96 3kir n VAL 47 Cb 0.29 -2.05 0.63 0.00 -0.91 0.00 0.00 33.84 31.80 3kir n VAL 47 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3kir h PHE 48 N 0.00 0.30 -0.57 3.52 3.04 -0.09 0.57 116.94 123.72 3kir h PHE 48 Ca 0.00 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.07 3kir h PHE 48 Cb 0.00 -0.09 -0.09 0.00 2.56 0.00 0.00 35.95 38.33 3kir h PHE 48 CO -0.16 0.03 0.03 0.00 -2.02 0.00 0.00 178.31 176.18 3kir h ARG 49 N 0.18 0.14 0.01 1.11 2.47 -0.45 0.33 114.38 118.17 3kir h ARG 49 Ca 0.55 -0.01 -0.34 0.00 -1.26 0.00 0.00 59.98 58.92 3kir h ARG 49 Cb 1.81 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 30.04 3kir h ARG 49 CO -0.14 0.09 -2.10 1.04 0.56 0.00 0.00 179.97 179.42 3kir n GLN 50 N -5.23 0.67 0.01 0.04 6.02 -0.32 -4.66 117.38 113.90 3kir n GLN 50 Ca 0.08 0.14 -0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3kir n GLN 50 Cb 0.32 -1.64 -0.00 0.00 1.02 0.00 0.00 30.24 29.93 3kir n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kir h ALA 51 N 0.85 -0.29 -0.83 -1.58 0.00 0.34 -3.47 119.26 114.28 3kir h ALA 51 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kir h ALA 51 Cb 2.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3kir h ALA 51 CO 0.04 -0.29 0.00 -1.13 0.00 0.00 0.00 179.25 177.88 3kir n SER 52 N -2.16 0.00 -0.06 0.00 3.41 0.11 -3.20 113.62 111.73 3kir n SER 52 Ca -0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.65 3kir n SER 52 Cb 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 3kir n SER 52 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3kir n ILE 53 N 0.00 1.32 0.56 -1.33 -5.35 -1.26 -4.24 119.36 109.06 3kir n ILE 53 Ca 0.00 -1.50 0.06 0.00 -0.27 0.00 0.00 62.75 61.04 3kir n ILE 53 Cb 0.00 0.18 -0.02 0.00 -1.74 0.00 0.00 39.64 38.06 3kir n ILE 53 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3kir n HIS 54 N -0.89 0.00 -4.43 4.28 -0.00 -1.19 -4.53 115.22 108.45 3kir n HIS 54 Ca 0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.58 3kir n HIS 54 Cb 0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.36 3kir n HIS 54 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3kir s HIS 55 N -1.76 1.76 -0.38 4.41 3.76 -1.24 -4.88 115.29 116.96 3kir s HIS 55 Ca 0.09 -1.20 -0.06 0.00 -0.15 0.00 0.00 55.06 53.73 3kir s HIS 55 Cb 0.10 -1.09 0.07 0.00 1.11 0.00 0.00 32.58 32.76 3kir s HIS 55 CO 0.37 -0.27 0.17 0.08 -0.85 0.00 0.00 174.74 174.24 3kir s VAL 56 N -3.39 3.78 -0.03 -0.90 1.01 -1.26 -4.64 120.40 114.97 3kir s VAL 56 Ca 0.31 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 3kir s VAL 56 Cb 0.05 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3kir s VAL 56 CO 0.15 -0.38 1.19 -0.63 0.00 0.00 0.00 175.10 175.43 3kir s ILE 57 N 1.35 4.24 -0.13 2.22 1.09 0.05 -3.66 121.20 126.36 3kir s ILE 57 Ca 0.01 1.58 -0.11 0.00 -1.10 0.00 0.00 60.65 61.03 3kir s ILE 57 Cb -0.21 -4.01 -0.05 0.00 -1.06 0.00 0.00 42.46 37.13 3kir s ILE 57 CO 0.01 0.03 0.22 -0.69 -0.10 0.00 0.00 174.94 174.41 3kir s VAL 58 N 1.95 5.36 -0.18 2.92 1.01 0.13 -2.12 120.40 129.46 3kir s VAL 58 Ca 0.56 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 3kir s VAL 58 Cb -0.25 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3kir s VAL 58 CO 0.24 0.51 0.10 -0.76 0.00 0.00 0.00 175.10 175.18 3kir s LEU 59 N -0.30 4.06 -0.41 3.92 1.43 -0.99 -3.08 118.68 123.31 3kir s LEU 59 Ca 0.15 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 3kir s LEU 59 Cb -0.13 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.15 3kir s LEU 59 CO 0.04 0.21 0.23 -1.61 0.23 0.00 0.00 176.35 175.44 3kir s GLU 60 N 0.20 2.38 0.04 1.70 2.02 -1.14 -2.93 118.70 120.97 3kir s GLU 60 Ca 0.07 -1.60 -0.03 0.00 0.02 0.00 0.00 54.97 53.43 3kir s GLU 60 Cb -0.12 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 3kir s GLU 60 CO -0.01 -0.99 0.25 -0.51 0.02 0.00 0.00 175.26 174.02 3kir s LEU 61 N 1.31 4.35 0.46 1.80 1.43 -1.18 -2.81 118.68 124.03 3kir s LEU 61 Ca 0.04 0.42 0.19 0.00 -1.03 0.00 0.00 54.13 53.75 3kir s LEU 61 Cb -0.23 -2.87 1.03 0.00 0.03 0.00 0.00 46.19 44.15 3kir s LEU 61 CO -0.01 0.19 1.52 -0.65 0.23 0.00 0.00 176.35 177.63 3kir h PRO 62 N 3.44 0.00 -0.97 1.29 0.11 -1.91 -1.83 132.00 132.13 3kir h PRO 62 Ca -0.47 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.23 3kir h PRO 62 Cb 1.18 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 3kir h PRO 62 CO 0.71 0.00 0.51 -0.40 -0.21 0.00 0.00 178.00 178.62 3kir n ASP 63 N -2.37 3.73 0.00 -2.05 5.75 -1.26 -4.98 116.55 115.37 3kir n ASP 63 Ca -0.01 -3.31 0.00 0.00 -0.01 0.00 0.00 54.79 51.46 3kir n ASP 63 Cb 0.36 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 3kir n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kir n GLY 64 N -0.78 1.15 0.00 6.12 0.00 -0.69 -5.04 105.19 105.95 3kir n GLY 64 Ca 0.48 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3kir n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kir n GLN 65 N 0.00 0.00 -3.29 1.61 6.02 -1.26 -4.34 117.38 116.12 3kir n GLN 65 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 3kir n GLN 65 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 3kir n GLN 65 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3kir s SER 66 N 0.00 1.01 0.01 1.08 0.15 -1.26 -3.12 113.70 111.57 3kir s SER 66 Ca 0.00 -2.20 -0.19 0.00 0.70 0.00 0.00 55.95 54.26 3kir s SER 66 Cb 0.00 0.33 -0.06 0.00 -1.71 0.00 0.00 66.02 64.58 3kir s SER 66 CO 0.00 -0.20 0.55 -0.76 1.20 0.00 0.00 173.24 174.03 3kir s LEU 67 N 0.81 4.45 -0.04 3.45 1.02 -1.15 -4.89 118.68 122.33 3kir s LEU 67 Ca 0.25 1.13 -0.30 0.00 0.02 0.00 0.00 54.13 55.23 3kir s LEU 67 Cb -0.07 -2.85 -0.04 0.00 0.02 0.00 0.00 46.19 43.25 3kir s LEU 67 CO -0.08 0.18 1.30 -2.16 0.02 0.00 0.00 176.35 175.60 3kir s PRO 68 N -0.51 4.31 0.03 1.29 0.04 -1.26 -2.34 135.00 136.56 3kir s PRO 68 Ca 0.29 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 3kir s PRO 68 Cb -0.18 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 3kir s PRO 68 CO 0.17 -0.53 -0.01 0.95 0.04 0.00 0.00 177.00 177.61 3kir s THR 69 N 2.45 0.15 0.03 1.26 -4.23 -0.90 -1.40 115.64 113.00 3kir s THR 69 Ca 0.60 -1.22 0.08 0.00 -1.18 0.00 0.00 61.69 59.97 3kir s THR 69 Cb -0.27 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.78 3kir s THR 69 CO 0.23 -0.67 -0.21 -0.76 -0.54 0.00 0.00 174.62 172.67 3kir s LEU 70 N -2.02 2.42 -0.13 4.79 1.43 -0.54 -0.77 118.68 123.85 3kir s LEU 70 Ca -0.07 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.30 3kir s LEU 70 Cb -0.03 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 3kir s LEU 70 CO -0.04 0.27 0.79 -0.69 0.23 0.00 0.00 176.35 176.90 3kir s VAL 71 N -0.85 4.94 -0.23 -1.59 1.01 -1.26 -0.22 120.40 122.20 3kir s VAL 71 Ca 0.13 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.71 3kir s VAL 71 Cb -0.10 -4.11 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 3kir s VAL 71 CO 0.03 0.10 -0.08 -1.14 0.00 0.00 0.00 175.10 174.01 3kir n ARG 72 N 4.73 0.67 -3.69 2.72 3.00 0.69 -4.61 116.66 120.17 3kir n ARG 72 Ca 0.03 0.16 -0.11 0.00 -0.00 0.00 0.00 57.85 57.93 3kir n ARG 72 Cb 0.50 -1.56 -0.11 0.00 0.00 0.00 0.00 32.46 31.29 3kir n ARG 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3kir s GLN 73 N -2.53 0.33 -0.11 -0.14 0.74 -1.25 -4.99 119.66 111.71 3kir s GLN 73 Ca -0.30 0.79 0.02 0.00 0.05 0.00 0.00 55.36 55.92 3kir s GLN 73 Cb 0.08 0.02 -0.01 0.00 1.10 0.00 0.00 33.01 34.20 3kir s GLN 73 CO 0.65 -0.18 -0.19 0.08 -0.55 0.00 0.00 175.29 175.10 3kir s VAL 74 N 1.66 2.52 -0.24 1.34 1.01 -1.26 -0.68 120.40 124.74 3kir s VAL 74 Ca -0.07 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 3kir s VAL 74 Cb -0.10 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 3kir s VAL 74 CO -0.12 0.54 0.02 0.20 0.00 0.00 0.00 175.10 175.75 3kir s ASN 75 N 0.35 4.76 0.85 3.32 0.01 0.13 -4.94 114.94 119.41 3kir s ASN 75 Ca -0.15 -0.37 -0.11 0.00 -0.71 0.00 0.00 52.86 51.52 3kir s ASN 75 Cb -0.17 -1.83 0.15 0.00 0.41 0.00 0.00 41.25 39.81 3kir s ASN 75 CO 0.07 -0.05 1.18 -0.76 -1.51 0.00 0.00 177.10 176.04 3kir s LEU 76 N 1.54 2.78 -0.07 0.60 1.43 -1.26 0.26 118.68 123.95 3kir s LEU 76 Ca 0.05 0.18 0.18 0.00 -1.03 0.00 0.00 54.13 53.52 3kir s LEU 76 Cb -0.15 -2.43 0.64 0.00 0.03 0.00 0.00 46.19 44.28 3kir s LEU 76 CO 0.00 -2.28 1.53 -0.67 0.23 0.00 0.00 176.35 175.16 3kir n ASP 77 N -3.38 4.12 0.00 2.29 2.03 0.79 -4.53 116.55 117.87 3kir n ASP 77 Ca 0.13 -2.27 0.00 0.00 0.52 0.00 0.00 54.79 53.17 3kir n ASP 77 Cb 0.60 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 3kir n ASP 77 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kir n LYS 78 N 1.16 0.00 -3.95 -0.67 4.76 -1.26 -4.62 118.16 113.58 3kir n LYS 78 Ca 0.23 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.32 3kir n LYS 78 Cb 0.74 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.81 3kir n LYS 78 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3kir s ARG 79 N 0.00 3.70 0.00 1.97 1.70 -1.26 -4.27 118.95 120.78 3kir s ARG 79 Ca 0.00 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.79 3kir s ARG 79 Cb 0.00 -3.19 0.00 0.00 -0.57 0.00 0.00 34.95 31.19 3kir s ARG 79 CO 0.00 -0.01 0.00 0.54 -1.08 0.00 0.00 175.30 174.75 3kir n ARG 80 N 4.36 0.00 -3.13 3.89 5.12 -1.26 -4.49 116.66 121.15 3kir n ARG 80 Ca -0.17 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.56 3kir n ARG 80 Cb 0.52 -1.61 -0.04 0.00 -1.16 0.00 0.00 32.46 30.16 3kir n ARG 80 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3kir n ARG 81 N -2.43 -0.89 -3.67 5.56 1.85 -1.26 -4.87 116.66 110.95 3kir n ARG 81 Ca 0.00 0.06 -0.37 0.00 -1.00 0.00 0.00 57.85 56.54 3kir n ARG 81 Cb 0.00 -2.17 -0.06 0.00 -1.05 0.00 0.00 32.46 29.18 3kir n ARG 81 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3kir s ARG 82 N -4.42 3.85 0.24 2.89 3.52 -1.26 -4.81 118.95 118.94 3kir s ARG 82 Ca 0.29 0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.67 3kir s ARG 82 Cb -0.17 -3.28 -0.10 0.00 -1.56 0.00 0.00 34.95 29.84 3kir s ARG 82 CO 0.51 0.58 1.47 -2.14 -0.81 0.00 0.00 175.30 174.90 3kir s PRO 83 N -0.55 4.25 -0.21 5.12 0.02 -1.26 -0.15 135.00 142.21 3kir s PRO 83 Ca 0.17 2.32 -0.08 0.00 0.02 0.00 0.00 61.00 63.44 3kir s PRO 83 Cb -0.14 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.17 3kir s PRO 83 CO 0.06 -0.46 -0.26 0.39 -0.33 0.00 0.00 177.00 176.40 3kir n GLU 84 N 2.60 0.47 -3.96 5.54 1.02 0.74 -4.85 120.64 122.22 3kir n GLU 84 Ca 0.08 0.18 -0.09 0.00 -0.02 0.00 0.00 57.16 57.31 3kir n GLU 84 Cb 0.40 -1.31 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 3kir n GLU 84 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3kir s HIS 85 N -2.40 0.23 0.03 -0.32 5.04 -0.66 -4.17 115.29 113.04 3kir s HIS 85 Ca -0.30 -0.52 0.04 0.00 -1.54 0.00 0.00 55.06 52.74 3kir s HIS 85 Cb 0.11 -0.17 -0.02 0.00 0.04 0.00 0.00 32.58 32.53 3kir s HIS 85 CO 0.40 -0.29 -0.11 0.14 -2.34 0.00 0.00 174.74 172.54 3kir s VAL 86 N -2.14 0.88 -0.12 0.89 -7.23 -1.15 0.19 120.40 111.73 3kir s VAL 86 Ca -0.09 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 3kir s VAL 86 Cb -0.04 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 36.08 3kir s VAL 86 CO -0.03 -0.00 -0.18 -1.81 -0.31 0.00 0.00 175.10 172.77 3kir s ASP 87 N -0.93 3.60 -0.27 4.85 1.11 0.15 -0.86 116.67 124.31 3kir s ASP 87 Ca 0.00 -0.43 0.01 0.00 0.18 0.00 0.00 52.55 52.31 3kir s ASP 87 Cb -0.07 -1.52 0.05 0.00 1.07 0.00 0.00 42.92 42.45 3kir s ASP 87 CO 0.01 0.16 -0.07 -0.36 1.18 0.00 0.00 175.17 176.08 3kir s PHE 88 N 0.37 3.22 -0.35 4.23 2.99 0.95 -0.22 117.98 129.17 3kir s PHE 88 Ca -0.14 -2.06 -0.24 0.00 0.00 0.00 0.00 56.93 54.49 3kir s PHE 88 Cb -0.17 -2.00 0.01 0.00 0.00 0.00 0.00 43.02 40.86 3kir s PHE 88 CO 0.07 -0.84 0.82 0.12 -0.00 0.00 0.00 175.22 175.40 3kir s PHE 89 N 1.18 3.13 -0.40 0.36 5.99 0.69 -2.08 117.98 126.85 3kir s PHE 89 Ca -0.06 0.68 -0.26 0.00 0.00 0.00 0.00 56.93 57.29 3kir s PHE 89 Cb -0.19 -3.42 0.02 0.00 0.00 0.00 0.00 43.02 39.43 3kir s PHE 89 CO -0.04 -0.72 0.95 0.08 -0.00 0.00 0.00 175.22 175.49 3kir s VAL 90 N 3.16 4.52 0.76 3.12 1.01 -1.18 -1.47 120.40 130.32 3kir s VAL 90 Ca 0.33 1.07 -0.11 0.00 0.00 0.00 0.00 61.98 63.28 3kir s VAL 90 Cb -0.13 -4.39 0.05 0.00 0.00 0.00 0.00 36.38 31.91 3kir s VAL 90 CO 0.16 -0.66 1.09 -0.76 0.00 0.00 0.00 175.10 174.93 3kir s LEU 91 N 3.64 3.05 0.00 3.92 1.43 -0.50 -4.77 118.68 125.46 3kir s LEU 91 Ca 0.39 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 3kir s LEU 91 Cb -0.11 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.59 3kir s LEU 91 CO 0.22 -1.97 0.00 -1.54 0.23 0.00 0.00 176.35 173.29 3kir n SER 92 N -3.47 0.00 0.00 2.29 3.41 -1.26 -4.75 113.62 109.84 3kir n SER 92 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3kir n SER 92 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3kir n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kir n ASP 93 N 0.00 0.00 -4.90 4.04 5.75 -1.26 -4.87 116.55 115.31 3kir n ASP 93 Ca 0.00 -0.09 -0.27 0.00 -0.01 0.00 0.00 54.79 54.41 3kir n ASP 93 Cb 0.00 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.17 3kir n ASP 93 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3kir s GLU 94 N 0.00 2.05 0.42 0.11 -1.05 -1.26 -4.80 118.70 114.18 3kir s GLU 94 Ca 0.00 -0.08 -0.22 0.00 -0.15 0.00 0.00 54.97 54.52 3kir s GLU 94 Cb 0.00 -2.06 -0.10 0.00 -0.44 0.00 0.00 34.13 31.54 3kir s GLU 94 CO 0.00 -1.44 0.99 -1.25 0.95 0.00 0.00 175.26 174.51 3kir s PRO 95 N -5.42 4.16 -0.01 -4.83 0.04 -1.26 -4.25 135.00 123.43 3kir s PRO 95 Ca 0.61 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.95 3kir s PRO 95 Cb -0.11 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 3kir s PRO 95 CO 0.47 -0.11 -0.05 0.54 0.04 0.00 0.00 177.00 177.89 3kir s VAL 96 N -1.95 0.38 -0.34 -0.36 0.11 -0.81 -4.82 120.40 112.61 3kir s VAL 96 Ca 0.61 -0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 59.18 3kir s VAL 96 Cb -0.15 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 3kir s VAL 96 CO 0.19 0.12 1.14 -1.61 -3.33 0.00 0.00 175.10 171.61 3kir s GLU 97 N 0.02 3.97 0.03 1.54 2.02 -1.26 -2.36 118.70 122.67 3kir s GLU 97 Ca 0.00 1.03 -0.18 0.00 0.02 0.00 0.00 54.97 55.85 3kir s GLU 97 Cb -0.03 -3.80 0.03 0.00 0.10 0.00 0.00 34.13 30.43 3kir s GLU 97 CO -0.00 -1.04 0.39 0.00 0.02 0.00 0.00 175.26 174.63 3kir s MET 98 N 3.92 0.88 -0.09 1.61 0.23 -0.40 -4.95 119.30 120.50 3kir s MET 98 Ca 0.49 -0.35 -0.30 0.00 -1.03 0.00 0.00 55.69 54.50 3kir s MET 98 Cb -0.12 0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 3kir s MET 98 CO 0.20 -0.29 1.06 0.71 -2.03 0.00 0.00 175.02 174.67 3kir s TYR 99 N -2.32 3.42 -0.20 3.16 2.02 -1.25 -1.25 117.35 120.93 3kir s TYR 99 Ca -0.06 1.48 -0.07 0.00 -0.37 0.00 0.00 57.07 58.05 3kir s TYR 99 Cb -0.01 -3.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.25 3kir s TYR 99 CO -0.01 -0.55 0.05 0.08 -1.57 0.00 0.00 175.55 173.55 3kir s VAL 100 N 2.09 4.53 1.06 0.71 1.01 0.38 -4.42 120.40 125.76 3kir s VAL 100 Ca 0.50 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 3kir s VAL 100 Cb -0.20 -3.06 0.18 0.00 0.00 0.00 0.00 36.38 33.30 3kir s VAL 100 CO 0.19 0.43 0.76 -0.81 0.00 0.00 0.00 175.10 175.66 3kir n PRO 101 N 3.95 -1.43 -4.21 2.72 -0.04 -1.26 -1.26 135.00 133.47 3kir n PRO 101 Ca -0.16 -0.38 -0.16 0.00 -0.04 0.00 0.00 63.50 62.75 3kir n PRO 101 Cb 0.52 -2.08 -0.14 0.00 -0.04 0.00 0.00 33.50 31.76 3kir n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kir s LEU 102 N -4.94 2.09 -0.13 1.53 1.43 -1.26 -3.17 118.68 114.23 3kir s LEU 102 Ca 0.64 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 3kir s LEU 102 Cb -0.22 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.68 3kir s LEU 102 CO 0.64 0.01 -0.21 -0.60 0.23 0.00 0.00 176.35 176.42 3kir s ARG 103 N -0.62 3.09 -0.64 1.70 3.52 -1.24 -4.80 118.95 119.97 3kir s ARG 103 Ca -0.01 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.65 3kir s ARG 103 Cb -0.05 -2.45 0.16 0.00 -1.56 0.00 0.00 34.95 31.06 3kir s ARG 103 CO 0.00 0.06 0.54 -0.06 -0.81 0.00 0.00 175.30 175.03 3kir s PHE 104 N 0.66 3.51 -0.03 5.12 0.08 -1.26 0.24 117.98 126.30 3kir s PHE 104 Ca -0.10 -1.94 -0.19 0.00 0.12 0.00 0.00 56.93 54.82 3kir s PHE 104 Cb -0.16 -3.62 -0.05 0.00 -0.57 0.00 0.00 43.02 38.61 3kir s PHE 104 CO 0.02 -0.97 0.53 0.54 -0.10 0.00 0.00 175.22 175.24 3kir s VAL 105 N 0.75 4.99 0.00 -0.44 0.11 -0.98 -4.87 120.40 119.96 3kir s VAL 105 Ca 0.11 1.10 0.00 0.00 -2.93 0.00 0.00 61.98 60.26 3kir s VAL 105 Cb -0.20 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 3kir s VAL 105 CO -0.03 0.43 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 3kir n GLY 106 N 2.50 3.46 3.22 6.54 0.00 -1.26 -0.25 105.19 119.40 3kir n GLY 106 Ca -0.08 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 3kir n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kir s THR 107 N -1.31 5.00 1.03 2.61 2.01 -1.17 -4.67 115.64 119.14 3kir s THR 107 Ca 0.00 -3.24 -0.24 0.00 0.31 0.00 0.00 61.69 58.52 3kir s THR 107 Cb 0.00 -4.09 -0.12 0.00 0.01 0.00 0.00 72.50 68.30 3kir s THR 107 CO 0.00 -1.06 -1.08 -0.81 -0.69 0.00 0.00 174.62 170.97 3kir n PRO 108 N 3.04 -0.36 0.15 4.92 -0.04 -1.05 -4.74 135.00 136.92 3kir n PRO 108 Ca 0.18 -0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 3kir n PRO 108 Cb 0.40 -1.18 0.56 0.00 -0.04 0.00 0.00 33.50 33.24 3kir n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kir n ALA 109 N -3.60 1.23 -0.22 0.55 0.00 0.04 -2.80 120.51 115.71 3kir n ALA 109 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3kir n ALA 109 Cb 0.70 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3kir n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 110 N -0.91 -2.90 3.43 0.00 0.00 -0.64 -3.52 105.19 100.66 3kir n GLY 110 Ca -0.00 0.31 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 3kir n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kir s VAL 111 N -2.55 1.56 0.00 1.61 1.01 -1.12 -2.11 120.40 118.79 3kir s VAL 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3kir s VAL 111 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3kir s VAL 111 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.10 173.96 3kir n ARG 112 N -5.19 0.00 -0.33 2.72 0.00 -1.26 -4.13 116.66 108.47 3kir n ARG 112 Ca 0.09 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 58.03 3kir n ARG 112 Cb 0.58 -1.17 0.22 0.00 0.00 0.00 0.00 32.46 32.10 3kir n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kir n ALA 113 N 0.00 2.77 -2.26 5.13 0.00 -1.05 -5.04 120.51 120.05 3kir n ALA 113 Ca 0.00 -2.40 -0.00 0.00 0.00 0.00 0.00 53.44 51.04 3kir n ALA 113 Cb 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 3kir n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 114 N -0.79 -5.67 3.92 0.00 0.00 -0.90 -4.95 105.19 96.80 3kir n GLY 114 Ca 0.20 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 3kir n GLY 114 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kir s GLY 115 N -0.56 -0.02 -0.17 -0.02 0.00 -1.08 -4.58 107.32 100.88 3kir s GLY 115 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 3kir s GLY 115 CO 0.00 3.90 0.04 0.14 0.00 0.00 0.00 173.10 177.18 3kir s VAL 116 N -2.11 0.36 0.00 1.40 1.01 0.10 -4.62 120.40 116.55 3kir s VAL 116 Ca 0.25 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 3kir s VAL 116 Cb -0.01 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 3kir s VAL 116 CO 0.02 -0.15 1.42 -0.22 0.00 0.00 0.00 175.10 176.18 3kir s LEU 117 N 1.94 4.32 -0.43 3.92 2.96 -1.26 -0.93 118.68 129.20 3kir s LEU 117 Ca 0.01 2.14 -0.03 0.00 -0.22 0.00 0.00 54.13 56.03 3kir s LEU 117 Cb -0.16 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.09 3kir s LEU 117 CO -0.08 -0.73 0.23 -1.58 -1.32 0.00 0.00 176.35 172.87 3kir s GLN 118 N 2.42 2.05 -0.75 1.98 0.74 0.32 -4.94 119.66 121.48 3kir s GLN 118 Ca 0.65 -1.91 -0.05 0.00 0.05 0.00 0.00 55.36 54.10 3kir s GLN 118 Cb -0.32 -3.59 -0.05 0.00 1.10 0.00 0.00 33.01 30.16 3kir s GLN 118 CO 0.27 -1.08 1.94 -0.85 -0.55 0.00 0.00 175.29 175.02 3kir n GLU 119 N 4.45 1.74 -0.19 1.67 0.28 -1.26 -1.09 120.64 126.24 3kir n GLU 119 Ca -0.01 -1.28 0.10 0.00 -0.16 0.00 0.00 57.16 55.81 3kir n GLU 119 Cb 0.41 -2.36 0.19 0.00 1.43 0.00 0.00 31.44 31.11 3kir n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3kir n ILE 120 N 4.27 -0.23 -3.00 3.84 2.08 -1.25 -2.67 119.36 122.39 3kir n ILE 120 Ca 0.37 1.22 -0.15 0.00 0.56 0.00 0.00 62.75 64.75 3kir n ILE 120 Cb 0.12 -1.80 -0.01 0.00 -0.75 0.00 0.00 39.64 37.20 3kir n ILE 120 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 3kir n HIS 121 N -4.64 0.61 -0.70 1.39 -0.00 -1.03 -4.92 115.22 105.94 3kir n HIS 121 Ca 0.14 -3.47 -0.33 0.00 0.46 0.00 0.00 57.72 54.52 3kir n HIS 121 Cb 0.47 -0.40 -0.06 0.00 -0.12 0.00 0.00 29.99 29.87 3kir n HIS 121 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 3kir n ARG 122 N 0.15 0.91 0.00 1.57 1.85 -1.09 -4.49 116.66 115.55 3kir n ARG 122 Ca 0.20 -1.31 0.00 0.00 -1.00 0.00 0.00 57.85 55.74 3kir n ARG 122 Cb 0.71 -2.57 0.00 0.00 -1.05 0.00 0.00 32.46 29.55 3kir n ARG 122 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3kir n ASP 123 N 7.00 0.00 -4.20 2.89 9.92 -1.26 -4.50 116.55 126.40 3kir n ASP 123 Ca 0.40 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.43 3kir n ASP 123 Cb 0.30 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.64 3kir n ASP 123 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3kir s ILE 124 N 0.00 1.41 -0.26 0.53 -4.36 -0.39 -4.88 121.20 113.26 3kir s ILE 124 Ca 0.00 -1.11 -0.29 0.00 -0.26 0.00 0.00 60.65 58.99 3kir s ILE 124 Cb 0.00 -1.25 0.01 0.00 1.25 0.00 0.00 42.46 42.47 3kir s ILE 124 CO 0.00 0.11 1.11 -0.22 0.24 0.00 0.00 174.94 176.18 3kir s LEU 125 N -1.16 4.03 0.07 0.37 2.96 -1.26 0.14 118.68 123.84 3kir s LEU 125 Ca 0.05 1.29 0.02 0.00 -0.22 0.00 0.00 54.13 55.27 3kir s LEU 125 Cb -0.08 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 3kir s LEU 125 CO 0.02 -0.79 -0.08 0.68 -1.32 0.00 0.00 176.35 174.85 3kir s VAL 126 N 3.51 0.70 -0.16 1.68 -7.23 -0.38 -0.02 120.40 118.50 3kir s VAL 126 Ca 0.47 -1.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 3kir s VAL 126 Cb -0.15 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 3kir s VAL 126 CO 0.12 -0.59 -0.07 -1.59 -0.31 0.00 0.00 175.10 172.66 3kir s LYS 127 N -2.64 3.53 -0.24 4.82 -2.85 -0.62 -1.27 119.74 120.47 3kir s LYS 127 Ca 0.01 -0.59 -0.26 0.00 -1.00 0.00 0.00 55.97 54.13 3kir s LYS 127 Cb -0.03 -2.84 0.11 0.00 -2.06 0.00 0.00 37.83 33.01 3kir s LYS 127 CO -0.01 0.16 0.95 0.54 0.10 0.00 0.00 175.35 177.08 3kir s VAL 128 N 0.54 0.00 0.69 1.79 0.11 -0.99 -3.62 120.40 118.92 3kir s VAL 128 Ca -0.05 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 3kir s VAL 128 Cb -0.15 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 3kir s VAL 128 CO 0.03 0.00 1.06 -0.94 -3.33 0.00 0.00 175.10 171.92 3kir s SER 129 N -0.11 5.40 0.29 3.54 1.04 -1.26 -1.93 113.70 120.68 3kir s SER 129 Ca 0.01 1.64 0.21 0.00 0.48 0.00 0.00 55.95 58.29 3kir s SER 129 Cb -0.04 -2.50 1.01 0.00 0.10 0.00 0.00 66.02 64.59 3kir s SER 129 CO -0.02 -1.43 1.07 -2.65 0.98 0.00 0.00 173.24 171.19 3kir n PRO 130 N -3.04 -0.03 -0.17 4.02 -0.02 -1.26 -1.75 135.00 132.76 3kir n PRO 130 Ca 0.08 0.87 -0.07 0.00 -2.02 0.00 0.00 63.50 62.36 3kir n PRO 130 Cb 0.53 -1.69 -0.01 0.00 -0.02 0.00 0.00 33.50 32.32 3kir n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kir h ARG 131 N 0.00 -0.21 -5.16 -0.52 3.08 -1.95 -3.37 114.38 106.25 3kir h ARG 131 Ca 0.60 0.01 -0.67 0.00 0.07 0.00 0.00 59.98 59.99 3kir h ARG 131 Cb 1.89 0.05 -0.17 0.00 0.08 0.00 0.00 29.97 31.82 3kir h ARG 131 CO -0.34 -0.14 -0.04 -0.80 -1.07 0.00 0.00 179.97 177.57 3kir s ASN 132 N -5.12 6.27 -0.54 7.04 0.01 -0.72 -4.97 114.94 116.91 3kir s ASN 132 Ca -0.14 -0.41 0.07 0.00 -0.71 0.00 0.00 52.86 51.66 3kir s ASN 132 Cb 0.14 -2.27 0.25 0.00 0.41 0.00 0.00 41.25 39.78 3kir s ASN 132 CO 0.68 -0.64 0.66 -0.38 -1.51 0.00 0.00 177.10 175.91 3kir n ILE 133 N 5.60 1.16 0.00 0.60 2.08 -1.26 -4.77 119.36 122.77 3kir n ILE 133 Ca -0.04 -4.75 0.00 0.00 0.56 0.00 0.00 62.75 58.52 3kir n ILE 133 Cb 0.48 -2.04 0.00 0.00 -0.75 0.00 0.00 39.64 37.32 3kir n ILE 133 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3kir n PRO 134 N 1.07 2.38 0.00 0.38 -0.04 -1.26 -5.09 135.00 132.44 3kir n PRO 134 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 3kir n PRO 134 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 3kir n PRO 134 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kir n GLU 135 N 0.00 0.00 -0.83 0.54 1.02 -1.26 -5.02 120.64 115.09 3kir n GLU 135 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3kir n GLU 135 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 3kir n GLU 135 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3kir n PHE 136 N 0.00 0.00 -1.93 -0.32 1.16 -1.26 -4.69 117.46 110.42 3kir n PHE 136 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.34 3kir n PHE 136 Cb 0.00 -0.37 -0.07 0.00 -1.61 0.00 0.00 39.48 37.43 3kir n PHE 136 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3kir s ILE 137 N 0.00 3.37 0.08 1.97 -1.09 -1.19 -4.46 121.20 119.88 3kir s ILE 137 Ca 0.22 -0.53 -0.25 0.00 -2.23 0.00 0.00 60.65 57.86 3kir s ILE 137 Cb -0.14 -4.18 -0.13 0.00 -1.58 0.00 0.00 42.46 36.42 3kir s ILE 137 CO 0.10 -0.71 0.57 -0.62 -1.23 0.00 0.00 174.94 173.05 3kir n GLU 138 N 8.45 0.00 -3.66 2.79 1.02 -1.26 -3.64 120.64 124.34 3kir n GLU 138 Ca 0.43 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.29 3kir n GLU 138 Cb 0.46 -0.91 -0.16 0.00 -0.02 0.00 0.00 31.44 30.82 3kir n GLU 138 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kir s VAL 139 N -0.38 0.37 0.11 2.62 1.01 0.14 -4.12 120.40 120.16 3kir s VAL 139 Ca 0.56 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 3kir s VAL 139 Cb -0.80 -1.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 3kir s VAL 139 CO 0.41 -0.49 1.59 1.51 0.00 0.00 0.00 175.10 178.13 3kir s ASP 140 N 1.90 6.62 -0.34 3.32 1.47 -1.26 -2.31 116.67 126.07 3kir s ASP 140 Ca 0.05 2.52 0.01 0.00 1.18 0.00 0.00 52.55 56.31 3kir s ASP 140 Cb -0.17 -2.58 0.10 0.00 -0.34 0.00 0.00 42.92 39.94 3kir s ASP 140 CO -0.21 -0.84 0.09 -0.69 0.68 0.00 0.00 175.17 174.21 3kir s VAL 141 N 1.91 1.49 0.00 2.11 1.01 0.65 -4.78 120.40 122.79 3kir s VAL 141 Ca 0.71 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3kir s VAL 141 Cb -0.41 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3kir s VAL 141 CO 0.31 -0.67 0.00 -0.24 0.00 0.00 0.00 175.10 174.51 3kir n SER 142 N 4.48 0.00 -1.02 3.32 2.88 -1.26 -2.54 113.62 119.47 3kir n SER 142 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 3kir n SER 142 Cb 0.41 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3kir n SER 142 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kir n GLY 143 N 0.67 1.68 3.10 0.46 0.00 -1.26 -3.36 105.19 106.48 3kir n GLY 143 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3kir n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kir s LEU 144 N 0.00 5.29 -0.21 0.99 2.01 -1.26 -4.95 118.68 120.55 3kir s LEU 144 Ca 0.00 -2.77 -0.15 0.00 0.01 0.00 0.00 54.13 51.22 3kir s LEU 144 Cb 0.00 -1.86 -0.04 0.00 0.01 0.00 0.00 46.19 44.29 3kir s LEU 144 CO 0.00 -0.39 0.35 -0.70 1.01 0.00 0.00 176.35 176.62 3kir s GLU 145 N 0.06 4.16 -0.68 1.70 2.56 -1.26 -0.78 118.70 124.46 3kir s GLU 145 Ca 0.16 0.12 -0.16 0.00 0.00 0.00 0.00 54.97 55.09 3kir s GLU 145 Cb -0.20 -3.53 -0.18 0.00 2.00 0.00 0.00 34.13 32.22 3kir s GLU 145 CO -0.04 -0.01 1.71 0.44 -0.56 0.00 0.00 175.26 176.81 3kir n ILE 146 N 4.28 0.00 0.00 -3.70 -5.35 -1.26 -2.37 119.36 110.96 3kir n ILE 146 Ca -0.10 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 3kir n ILE 146 Cb 0.51 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 3kir n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kir n GLY 147 N 4.19 -0.41 0.10 3.28 0.00 -1.07 -4.95 105.19 106.32 3kir n GLY 147 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 3kir n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kir n ASP 148 N 0.00 -0.04 -0.12 1.61 5.68 -1.00 -5.06 116.55 117.62 3kir n ASP 148 Ca 0.00 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 3kir n ASP 148 Cb 0.00 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 3kir n ASP 148 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3kir n SER 149 N -2.30 0.00 -3.66 -1.12 3.41 -1.26 -2.51 113.62 106.18 3kir n SER 149 Ca 0.00 -0.12 -0.15 0.00 -0.26 0.00 0.00 58.87 58.34 3kir n SER 149 Cb 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 3kir n SER 149 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3kir s LEU 150 N 0.00 0.19 0.00 1.04 2.34 -1.17 -5.03 118.68 116.05 3kir s LEU 150 Ca 0.00 0.45 0.00 0.00 0.06 0.00 0.00 54.13 54.64 3kir s LEU 150 Cb 0.00 1.80 0.00 0.00 -0.56 0.00 0.00 46.19 47.43 3kir s LEU 150 CO 0.00 -0.47 0.00 0.00 -1.06 0.00 0.00 176.35 174.82 3kir n HIS 151 N 1.36 0.00 0.00 3.48 1.44 -1.26 -2.73 115.22 117.50 3kir n HIS 151 Ca -0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.52 3kir n HIS 151 Cb 0.56 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.67 3kir n HIS 151 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kir n ALA 152 N -3.00 0.00 -1.18 1.59 0.00 -1.22 -2.41 120.51 114.29 3kir n ALA 152 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3kir n ALA 152 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 3kir n ALA 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kir n SER 153 N -0.00 3.48 -1.52 0.00 2.88 -1.26 -4.53 113.62 112.67 3kir n SER 153 Ca 0.00 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.19 3kir n SER 153 Cb 0.00 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 3kir n SER 153 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3kir n ASP 154 N -0.73 0.87 -4.61 -3.46 10.43 -1.01 -4.72 116.55 113.32 3kir n ASP 154 Ca 0.30 -0.90 -0.25 0.00 2.57 0.00 0.00 54.79 56.50 3kir n ASP 154 Cb 1.04 -0.17 -0.09 0.00 1.84 0.00 0.00 41.12 43.74 3kir n ASP 154 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 3kir s LEU 155 N 0.00 2.89 -1.46 0.64 2.34 -1.26 -4.96 118.68 116.87 3kir s LEU 155 Ca 0.00 -1.12 -0.10 0.00 0.06 0.00 0.00 54.13 52.97 3kir s LEU 155 Cb 0.00 -1.18 0.04 0.00 -0.56 0.00 0.00 46.19 44.49 3kir s LEU 155 CO 0.00 -0.28 2.42 1.17 -1.06 0.00 0.00 176.35 178.61 3kir n LYS 156 N -0.92 3.56 -2.60 1.48 4.81 -1.26 -4.94 118.16 118.28 3kir n LYS 156 Ca -0.04 -2.80 -0.42 0.00 -0.87 0.00 0.00 58.31 54.18 3kir n LYS 156 Cb 0.63 -2.96 -0.03 0.00 0.02 0.00 0.00 35.03 32.70 3kir n LYS 156 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 3kir s LEU 157 N 0.39 3.42 0.28 3.14 2.34 -1.26 -4.84 118.68 122.15 3kir s LEU 157 Ca 0.54 -0.20 -0.26 0.00 0.06 0.00 0.00 54.13 54.27 3kir s LEU 157 Cb 0.15 -2.86 -0.16 0.00 -0.56 0.00 0.00 46.19 42.75 3kir s LEU 157 CO -0.06 -1.61 0.38 -2.65 -1.06 0.00 0.00 176.35 171.35 3kir n PRO 158 N 8.72 0.04 -2.01 1.48 -0.02 -1.26 -4.85 135.00 137.10 3kir n PRO 158 Ca 0.05 0.02 -0.39 0.00 -2.02 0.00 0.00 63.50 61.16 3kir n PRO 158 Cb 0.49 -1.03 0.01 0.00 -0.02 0.00 0.00 33.50 32.94 3kir n PRO 158 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kir s PRO 159 N -1.03 3.69 0.00 0.52 0.02 -1.26 -2.84 135.00 134.11 3kir s PRO 159 Ca 0.62 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.75 3kir s PRO 159 Cb -0.82 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.16 3kir s PRO 159 CO 0.58 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 3kir n GLY 160 N 0.62 0.90 2.94 0.52 0.00 -1.26 -5.03 105.19 103.88 3kir n GLY 160 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 3kir n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kir s VAL 161 N -2.02 -0.67 0.00 1.61 1.01 -1.13 -4.74 120.40 114.47 3kir s VAL 161 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3kir s VAL 161 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3kir s VAL 161 CO 0.00 -0.17 -0.07 -1.83 0.00 0.00 0.00 175.10 173.03 3kir s GLU 162 N 2.58 2.55 0.83 2.72 1.03 -1.24 -4.63 118.70 122.55 3kir s GLU 162 Ca 0.12 -0.72 -0.11 0.00 0.03 0.00 0.00 54.97 54.30 3kir s GLU 162 Cb -0.14 -2.50 0.09 0.00 -0.80 0.00 0.00 34.13 30.78 3kir s GLU 162 CO -0.22 0.60 1.12 -0.48 -1.33 0.00 0.00 175.26 174.95 3kir s LEU 163 N -1.39 2.98 -0.30 1.83 2.34 -1.26 -1.59 118.68 121.29 3kir s LEU 163 Ca 0.17 2.02 0.10 0.00 0.06 0.00 0.00 54.13 56.47 3kir s LEU 163 Cb -0.11 -4.55 0.46 0.00 -0.56 0.00 0.00 46.19 41.44 3kir s LEU 163 CO 0.07 -2.51 1.16 0.00 -1.06 0.00 0.00 176.35 174.01 3kir n ALA 164 N -3.77 4.60 -0.30 1.48 0.00 0.96 -4.72 120.51 118.77 3kir n ALA 164 Ca 0.11 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.89 3kir n ALA 164 Cb 0.52 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3kir n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kir n VAL 165 N -0.66 0.00 0.04 0.00 0.31 -1.25 -4.84 118.33 111.93 3kir n VAL 165 Ca 0.37 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.97 3kir n VAL 165 Cb 0.91 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3kir n VAL 165 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kir n SER 166 N -2.17 -0.79 -4.49 4.52 3.41 -1.26 -4.95 113.62 107.89 3kir n SER 166 Ca 0.00 0.20 -0.23 0.00 -0.26 0.00 0.00 58.87 58.58 3kir n SER 166 Cb 0.00 1.04 0.12 0.00 -0.26 0.00 0.00 64.21 65.11 3kir n SER 166 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3kir n PRO 167 N -2.51 -0.16 0.00 4.33 -0.04 -1.26 -5.09 135.00 130.27 3kir n PRO 167 Ca 0.00 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 3kir n PRO 167 Cb 0.00 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 3kir n PRO 167 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kir n GLU 168 N -2.87 0.00 -1.68 0.54 4.07 -1.26 -4.87 120.64 114.57 3kir n GLU 168 Ca 0.16 0.00 -0.61 0.00 -0.06 0.00 0.00 57.16 56.65 3kir n GLU 168 Cb 0.58 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.88 3kir n GLU 168 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3kir n GLU 169 N 0.00 0.66 -1.69 5.31 -0.58 -1.26 -3.93 120.64 119.16 3kir n GLU 169 Ca 0.00 0.24 -0.44 0.00 -0.42 0.00 0.00 57.16 56.54 3kir n GLU 169 Cb 0.00 -1.87 -0.04 0.00 -0.57 0.00 0.00 31.44 28.96 3kir n GLU 169 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3kir n THR 170 N 4.66 0.03 0.69 2.62 -1.04 -1.26 -3.40 114.28 116.57 3kir n THR 170 Ca 0.31 -0.01 0.07 0.00 -2.04 0.00 0.00 64.05 62.38 3kir n THR 170 Cb 0.06 -1.76 -0.08 0.00 -1.82 0.00 0.00 70.33 66.72 3kir n THR 170 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3kir n ILE 171 N 3.74 0.00 -3.64 12.58 -6.64 -1.16 -4.25 119.36 119.99 3kir n ILE 171 Ca 0.17 -0.15 -0.02 0.00 -1.77 0.00 0.00 62.75 60.97 3kir n ILE 171 Cb 0.32 0.98 -0.02 0.00 -1.44 0.00 0.00 39.64 39.48 3kir n ILE 171 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kir s ALA 172 N -2.42 -2.19 -0.23 -1.28 0.00 -1.11 -2.45 121.76 112.09 3kir s ALA 172 Ca 0.05 1.90 -0.25 0.00 0.00 0.00 0.00 51.96 53.66 3kir s ALA 172 Cb 0.11 -0.56 0.07 0.00 0.00 0.00 0.00 23.12 22.74 3kir s ALA 172 CO 0.61 -0.50 0.69 0.00 0.00 0.00 0.00 175.76 176.56 3kir s ALA 173 N -1.90 -1.73 -0.46 0.00 0.00 -0.25 -3.05 121.76 114.37 3kir s ALA 173 Ca 0.11 1.87 -0.13 0.00 0.00 0.00 0.00 51.96 53.80 3kir s ALA 173 Cb -0.01 -0.97 0.08 0.00 0.00 0.00 0.00 23.12 22.22 3kir s ALA 173 CO -0.03 -0.34 0.36 0.08 0.00 0.00 0.00 175.76 175.83 3kir s VAL 174 N 0.13 4.89 0.17 0.00 1.01 -1.04 0.12 120.40 125.67 3kir s VAL 174 Ca -0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.72 3kir s VAL 174 Cb -0.04 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3kir s VAL 174 CO 0.02 -0.59 0.36 0.68 0.00 0.00 0.00 175.10 175.58 3kir s VAL 175 N 1.56 5.22 1.14 2.92 -7.23 -0.11 -2.59 120.40 121.32 3kir s VAL 175 Ca 0.04 -0.31 -0.16 0.00 -1.81 0.00 0.00 61.98 59.74 3kir s VAL 175 Cb -0.24 -3.70 0.19 0.00 0.56 0.00 0.00 36.38 33.18 3kir s VAL 175 CO 0.05 -0.09 0.48 -0.81 -0.31 0.00 0.00 175.10 174.41 3kir n PRO 176 N -0.41 -1.95 -1.65 4.82 -0.04 -1.26 0.02 135.00 134.53 3kir n PRO 176 Ca -0.04 -0.55 -0.23 0.00 -0.04 0.00 0.00 63.50 62.64 3kir n PRO 176 Cb 0.53 -1.92 0.15 0.00 -0.04 0.00 0.00 33.50 32.23 3kir n PRO 176 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3kir n PRO 177 N -3.37 -0.87 -3.68 0.54 -0.04 -1.26 -4.23 135.00 122.09 3kir n PRO 177 Ca 0.02 -1.75 -0.38 0.00 -0.04 0.00 0.00 63.50 61.35 3kir n PRO 177 Cb 0.58 -1.01 -0.12 0.00 -0.04 0.00 0.00 33.50 32.91 3kir n PRO 177 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3kir s GLU 178 N -5.22 3.44 -0.11 0.54 2.56 -1.26 -5.05 118.70 113.60 3kir s GLU 178 Ca 0.60 -0.64 0.01 0.00 0.00 0.00 0.00 54.97 54.93 3kir s GLU 178 Cb -0.02 -3.51 0.02 0.00 2.00 0.00 0.00 34.13 32.62 3kir s GLU 178 CO 0.42 -0.35 -0.12 0.34 -0.56 0.00 0.00 175.26 174.99 3kir s ASP 179 N 1.62 2.29 0.31 -1.70 -1.08 -1.26 -5.02 116.67 111.84 3kir s ASP 179 Ca 0.05 -0.37 0.06 0.00 -0.52 0.00 0.00 52.55 51.77 3kir s ASP 179 Cb -0.17 -0.98 0.87 0.00 -1.46 0.00 0.00 42.92 41.18 3kir s ASP 179 CO 0.06 -0.04 1.61 0.58 0.52 0.00 0.00 175.17 177.89 3kir h VAL 180 N 6.06 0.14 0.00 1.11 2.07 -2.08 -3.19 116.25 120.35 3kir h VAL 180 Ca -0.32 -0.03 -0.40 0.00 0.82 0.00 0.00 66.70 66.76 3kir h VAL 180 Cb 1.15 0.04 0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3kir h VAL 180 CO 0.47 0.02 2.01 -0.62 0.02 0.00 0.00 177.57 179.46 3kir n GLU 181 N -5.32 1.19 -3.34 1.57 -0.58 -1.26 -4.60 120.64 108.29 3kir n GLU 181 Ca 0.26 -1.30 -0.13 0.00 -0.42 0.00 0.00 57.16 55.57 3kir n GLU 181 Cb 0.84 -2.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.15 3kir n GLU 181 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kir s LYS 182 N 4.69 0.39 -0.43 3.49 1.02 -1.21 -5.05 119.74 122.64 3kir s LYS 182 Ca 0.40 -0.03 0.06 0.00 0.02 0.00 0.00 55.97 56.42 3kir s LYS 182 Cb 0.10 -0.46 0.22 0.00 -0.52 0.00 0.00 37.83 37.17 3kir s LYS 182 CO 0.07 -1.04 0.57 1.28 -0.92 0.00 0.00 175.35 175.31 3kir n LEU 183 N 5.27 -1.03 -3.76 3.17 4.77 -1.26 -5.06 117.00 119.10 3kir n LEU 183 Ca 0.00 -4.13 -0.29 0.00 -0.03 0.00 0.00 56.01 51.56 3kir n LEU 183 Cb 0.48 0.67 -0.13 0.00 -2.33 0.00 0.00 43.42 42.11 3kir n LEU 183 CO -0.01 1.99 -0.21 0.00 -1.33 0.00 0.00 177.39 177.83 3kir s ALA 184 N -0.26 2.54 -0.15 -1.18 0.00 -1.26 -4.88 121.76 116.57 3kir s ALA 184 Ca 0.33 -2.88 0.19 0.00 0.00 0.00 0.00 51.96 49.60 3kir s ALA 184 Cb 0.13 -1.96 -0.28 0.00 0.00 0.00 0.00 23.12 21.02 3kir s ALA 184 CO -0.15 -2.05 0.19 -1.91 0.00 0.00 0.00 175.76 171.83 3kir n GLU 185 N 3.20 0.68 0.00 0.00 2.13 -1.26 -5.35 120.64 120.04 3kir n GLU 185 Ca 0.11 -0.07 0.05 0.00 0.66 0.00 0.00 57.16 57.92 3kir n GLU 185 Cb 0.35 -1.52 0.32 0.00 0.27 0.00 0.00 31.44 30.86 3kir n GLU 185 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11