#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n LEU 6 N 0.00 0.00 -0.11 -2.67 -0.00 -1.26 -5.10 117.00 107.87 3kir n LEU 6 Ca 0.00 -1.52 -0.17 0.00 -0.00 0.00 0.00 56.01 54.32 3kir n LEU 6 Cb 0.00 0.14 -0.06 0.00 -0.00 0.00 0.00 43.42 43.50 3kir n LEU 6 CO 0.00 -0.26 -0.94 0.54 -0.00 0.00 0.00 177.39 176.74 3kir n ARG 7 N -0.72 0.55 -1.95 1.47 5.12 -1.26 -4.46 116.66 115.41 3kir n ARG 7 Ca -0.08 0.26 -0.38 0.00 -1.93 0.00 0.00 57.85 55.71 3kir n ARG 7 Cb 0.31 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 3kir n ARG 7 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3kir n PRO 8 N -4.39 2.27 0.00 5.56 -0.04 -1.26 -3.72 135.00 133.42 3kir n PRO 8 Ca -0.29 -2.59 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 3kir n PRO 8 Cb 0.64 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 3kir n PRO 8 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3kir n ASN 9 N 9.66 0.00 0.00 3.54 5.15 -1.26 -4.96 115.26 127.39 3kir n ASN 9 Ca 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 3kir n ASN 9 Cb 0.44 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.92 3kir n ASN 9 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3kir n PRO 10 N -2.22 0.00 -0.77 1.20 -0.04 -1.24 -4.79 135.00 127.13 3kir n PRO 10 Ca 0.00 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 3kir n PRO 10 Cb 0.00 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.92 3kir n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kir n GLY 11 N -0.76 -0.45 3.57 0.55 0.00 -1.26 -4.74 105.19 102.09 3kir n GLY 11 Ca 0.00 0.31 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 3kir n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir n ALA 12 N 0.48 -0.60 -1.92 4.61 0.00 -1.26 -4.96 120.51 116.85 3kir n ALA 12 Ca 0.10 0.40 -0.28 0.00 0.00 0.00 0.00 53.44 53.66 3kir n ALA 12 Cb 0.08 -1.97 0.07 0.00 0.00 0.00 0.00 19.45 17.63 3kir n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kir s ASN 13 N -0.56 4.92 0.00 0.00 6.03 -1.26 -4.86 114.94 119.20 3kir s ASN 13 Ca 0.61 0.78 0.00 0.00 -1.03 0.00 0.00 52.86 53.22 3kir s ASN 13 Cb -0.74 -1.43 0.00 0.00 -3.03 0.00 0.00 41.25 36.04 3kir s ASN 13 CO 0.59 -1.61 0.00 0.29 -2.03 0.00 0.00 177.10 174.34 3kir n LYS 14 N -3.07 0.00 -3.99 3.55 5.02 -1.26 -3.85 118.16 114.56 3kir n LYS 14 Ca 0.07 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 3kir n LYS 14 Cb 0.60 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.46 3kir n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kir s ARG 15 N 0.00 1.66 -0.08 1.97 0.52 -1.26 -4.75 118.95 117.00 3kir s ARG 15 Ca 0.00 -2.11 0.01 0.00 -0.52 0.00 0.00 55.73 53.11 3kir s ARG 15 Cb 0.00 -3.26 -0.06 0.00 0.52 0.00 0.00 34.95 32.15 3kir s ARG 15 CO 0.00 -1.00 -0.07 2.89 0.02 0.00 0.00 175.30 177.14 3kir n ARG 16 N 3.91 0.37 -0.68 3.54 -4.01 -1.25 -5.00 116.66 113.54 3kir n ARG 16 Ca 0.04 0.05 0.00 0.00 -1.04 0.00 0.00 57.85 56.90 3kir n ARG 16 Cb 0.39 -1.17 0.00 0.00 -3.04 0.00 0.00 32.46 28.64 3kir n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3kir n LYS 17 N -2.72 -0.71 -0.45 2.89 4.81 -1.26 -4.70 118.16 116.02 3kir n LYS 17 Ca -0.15 0.00 0.35 0.00 -0.87 0.00 0.00 58.31 57.64 3kir n LYS 17 Cb 0.66 -2.49 0.54 0.00 0.02 0.00 0.00 35.03 33.77 3kir n LYS 17 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3kir n ARG 18 N -0.67 -0.01 -1.50 1.64 5.12 -1.26 -4.35 116.66 115.63 3kir n ARG 18 Ca 0.00 0.77 -0.33 0.00 -1.93 0.00 0.00 57.85 56.36 3kir n ARG 18 Cb 0.02 -1.71 -0.18 0.00 -1.16 0.00 0.00 32.46 29.43 3kir n ARG 18 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 3kir n VAL 19 N -3.48 -0.00 -1.49 1.55 0.24 -1.26 -4.87 118.33 109.01 3kir n VAL 19 Ca 0.30 -0.22 -0.30 0.00 -2.04 0.00 0.00 64.34 62.08 3kir n VAL 19 Cb 1.31 -0.31 0.21 0.00 -1.47 0.00 0.00 33.84 33.58 3kir n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kir s GLY 20 N 5.18 1.67 -0.35 7.63 0.00 -1.26 -5.00 107.32 115.19 3kir s GLY 20 Ca 1.34 -1.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.89 3kir s GLY 20 CO 0.52 -0.21 0.35 -1.60 0.00 0.00 0.00 173.10 172.15 3kir s ARG 21 N -5.61 3.50 -0.29 2.90 3.52 -1.26 -5.05 118.95 116.66 3kir s ARG 21 Ca 0.72 -0.49 -0.05 0.00 -0.13 0.00 0.00 55.73 55.77 3kir s ARG 21 Cb -0.08 -3.82 0.02 0.00 -1.56 0.00 0.00 34.95 29.52 3kir s ARG 21 CO 0.54 -0.54 0.05 0.20 -0.81 0.00 0.00 175.30 174.74 3kir s GLY 22 N 1.74 1.76 -0.84 8.12 0.00 -1.26 -5.08 107.32 111.76 3kir s GLY 22 Ca 0.11 -1.54 -0.17 0.00 0.00 0.00 0.00 44.72 43.12 3kir s GLY 22 CO 0.12 0.65 0.90 -4.14 0.00 0.00 0.00 173.10 170.62 3kir s PRO 23 N 1.42 3.52 -0.30 2.90 0.02 -1.26 -4.79 135.00 136.52 3kir s PRO 23 Ca 0.00 -2.03 -0.16 0.00 0.02 0.00 0.00 61.00 58.83 3kir s PRO 23 Cb -0.18 -4.60 0.18 0.00 0.02 0.00 0.00 34.50 29.92 3kir s PRO 23 CO 0.01 -1.51 1.17 0.20 -0.33 0.00 0.00 177.00 176.54 3kir s GLY 24 N 2.95 -0.54 0.00 0.52 0.00 -1.07 -4.80 107.32 104.37 3kir s GLY 24 Ca 0.23 2.66 0.00 0.00 0.00 0.00 0.00 44.72 47.61 3kir s GLY 24 CO -0.07 4.10 0.00 -1.14 0.00 0.00 0.00 173.10 175.99 3kir n SER 25 N 5.23 0.00 -0.33 1.64 3.41 -1.26 -5.02 113.62 117.29 3kir n SER 25 Ca 0.02 0.00 0.24 0.00 -0.26 0.00 0.00 58.87 58.87 3kir n SER 25 Cb 0.57 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.98 3kir n SER 25 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kir h GLY 26 N 0.00 1.98 -6.07 5.00 0.00 -1.99 -3.34 103.07 98.65 3kir h GLY 26 Ca 0.00 -0.17 -0.67 0.00 0.00 0.00 0.00 47.33 46.49 3kir h GLY 26 CO 0.00 -0.54 -0.83 -1.58 0.00 0.00 0.00 176.54 173.59 3kir s HIS 27 N -5.69 2.79 0.00 5.60 5.65 -1.26 -4.81 115.29 117.57 3kir s HIS 27 Ca -0.10 -1.32 0.00 0.00 0.25 0.00 0.00 55.06 53.89 3kir s HIS 27 Cb 0.30 -1.92 0.00 0.00 -1.18 0.00 0.00 32.58 29.78 3kir s HIS 27 CO 0.78 -0.64 0.00 0.41 -0.65 0.00 0.00 174.74 174.64 3kir n GLY 28 N 4.39 1.19 3.11 1.59 0.00 -1.26 -4.90 105.19 109.31 3kir n GLY 28 Ca -0.20 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 3kir n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir s LYS 29 N 0.00 3.03 0.00 1.61 3.01 -1.26 -4.90 119.74 121.23 3kir s LYS 29 Ca 0.00 -2.96 0.00 0.00 -1.01 0.00 0.00 55.97 52.00 3kir s LYS 29 Cb 0.00 -3.90 0.00 0.00 -1.01 0.00 0.00 37.83 32.92 3kir s LYS 29 CO 0.00 -1.23 0.00 2.41 0.51 0.00 0.00 175.35 177.04 3kir n THR 30 N 2.84 0.00 0.00 2.17 -1.04 -1.25 -2.59 114.28 114.41 3kir n THR 30 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 3kir n THR 30 Cb 0.38 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 3kir n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kir n ALA 31 N -3.00 0.00 0.26 2.41 0.00 -1.26 0.15 120.51 119.07 3kir n ALA 31 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3kir n ALA 31 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.09 3kir n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3kir h THR 32 N 0.00 0.29 -1.75 0.00 1.35 -1.90 -3.49 112.91 107.41 3kir h THR 32 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3kir h THR 32 Cb 0.00 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3kir h THR 32 CO 0.00 0.10 0.00 -1.14 -0.25 0.00 0.00 175.52 174.23 3kir n ARG 33 N -3.28 0.00 0.00 4.72 3.00 0.40 -4.65 116.66 116.85 3kir n ARG 33 Ca -0.00 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 3kir n ARG 33 Cb 0.33 -0.43 0.00 0.00 0.00 0.00 0.00 32.46 32.36 3kir n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kir n GLY 34 N 0.35 0.00 0.00 5.14 0.00 -1.26 -4.13 105.19 105.29 3kir n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kir n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kir n HIS 35 N 0.00 0.00 -0.51 1.61 8.25 -1.26 -5.13 115.22 118.18 3kir n HIS 35 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 3kir n HIS 35 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3kir n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kir n LYS 36 N 0.21 -1.07 0.00 -0.41 5.02 -1.26 -4.77 118.16 115.89 3kir n LYS 36 Ca 0.00 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 3kir n LYS 36 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3kir n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kir n GLY 37 N -2.64 -0.97 0.00 0.72 0.00 -1.26 -4.91 105.19 96.13 3kir n GLY 37 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kir n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kir n GLN 38 N 0.00 0.00 0.00 1.61 10.64 -1.26 -5.14 117.38 123.23 3kir n GLN 38 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3kir n GLN 38 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3kir n GLN 38 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3kir n LYS 39 N 0.00 0.00 -1.78 2.61 4.76 -1.26 -5.02 118.16 117.47 3kir n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kir n LYS 39 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3kir n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3kir n SER 40 N 0.00 -1.46 -3.35 4.39 2.88 -1.26 -5.01 113.62 109.81 3kir n SER 40 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 3kir n SER 40 Cb 0.00 -0.36 -0.09 0.00 -0.75 0.00 0.00 64.21 63.00 3kir n SER 40 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3kir s ARG 41 N -3.53 0.80 0.00 -1.46 1.81 -1.26 -4.61 118.95 110.69 3kir s ARG 41 Ca 0.00 -1.70 0.00 0.00 -1.72 0.00 0.00 55.73 52.31 3kir s ARG 41 Cb 0.00 -1.19 0.00 0.00 -0.45 0.00 0.00 34.95 33.31 3kir s ARG 41 CO 0.00 -1.32 0.00 -1.13 -0.68 0.00 0.00 175.30 172.17 3kir n SER 42 N 3.29 0.00 0.00 0.23 3.41 -1.26 -4.97 113.62 114.32 3kir n SER 42 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3kir n SER 42 Cb 0.46 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3kir n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kir n GLY 43 N -0.94 1.00 0.00 5.00 0.00 -1.26 -5.12 105.19 103.87 3kir n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kir n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kir n GLY 44 N 0.00 4.34 0.00 -0.02 0.00 -1.26 -5.12 105.19 103.13 3kir n GLY 44 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3kir n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kir n LEU 45 N 0.00 0.00 -0.04 0.99 0.00 -1.26 -4.90 117.00 111.79 3kir n LEU 45 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 3kir n LEU 45 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.31 3kir n LEU 45 CO 0.00 0.00 -0.83 1.17 0.00 0.00 0.00 177.39 177.73 3kir n LYS 46 N 0.00 1.26 0.00 1.96 4.81 -1.26 -5.09 118.16 119.85 3kir n LYS 46 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3kir n LYS 46 Cb 0.00 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 33.70 3kir n LYS 46 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3kir n ASP 47 N -2.30 0.00 -0.03 3.14 -0.08 -1.26 -4.91 116.55 111.11 3kir n ASP 47 Ca -0.14 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.12 3kir n ASP 47 Cb 0.72 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.17 3kir n ASP 47 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3kir h PRO 48 N 0.00 0.00 0.00 -0.67 0.13 -1.98 -3.51 132.00 125.97 3kir h PRO 48 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kir h PRO 48 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kir h PRO 48 CO 0.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 3kir n ARG 49 N -3.24 0.00 0.02 0.86 1.74 -1.26 0.10 116.66 114.87 3kir n ARG 49 Ca -0.02 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.87 3kir n ARG 49 Cb 0.08 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.38 3kir n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3kir h ARG 50 N 0.00 0.22 -7.19 5.56 0.11 -1.98 -3.48 114.38 107.62 3kir h ARG 50 Ca 0.00 -0.38 -0.41 0.00 0.10 0.00 0.00 59.98 59.28 3kir h ARG 50 Cb 0.00 0.14 0.20 0.00 1.11 0.00 0.00 29.97 31.42 3kir h ARG 50 CO 0.00 1.18 0.02 -0.06 0.10 0.00 0.00 179.97 181.21 3kir s PHE 51 N -2.39 0.58 0.57 4.08 0.08 0.28 -4.74 117.98 116.44 3kir s PHE 51 Ca -0.16 0.78 0.00 0.00 0.12 0.00 0.00 56.93 57.67 3kir s PHE 51 Cb 0.00 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 3kir s PHE 51 CO 0.79 -4.15 0.00 0.39 -0.10 0.00 0.00 175.22 172.15 3kir n GLU 52 N -5.04 -3.26 0.00 0.44 -0.58 -1.26 -4.80 120.64 106.13 3kir n GLU 52 Ca 0.09 2.63 0.00 0.00 -0.42 0.00 0.00 57.16 59.45 3kir n GLU 52 Cb 0.58 -3.66 0.00 0.00 -0.57 0.00 0.00 31.44 27.79 3kir n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kir n GLY 53 N -3.79 4.02 0.00 0.62 0.00 -1.26 -4.62 105.19 100.16 3kir n GLY 53 Ca -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3kir n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kir n GLY 54 N 0.00 0.88 0.00 -0.02 0.00 -1.26 -5.05 105.19 99.74 3kir n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kir n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kir n ARG 55 N -1.91 3.50 -1.95 1.61 0.63 -1.26 -5.01 116.66 112.27 3kir n ARG 55 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 3kir n ARG 55 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 3kir n ARG 55 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3kir n SER 56 N 0.00 6.50 0.00 6.15 7.64 -1.26 -5.02 113.62 127.63 3kir n SER 56 Ca 0.00 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.09 3kir n SER 56 Cb 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 3kir n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kir n THR 57 N -0.63 0.00 0.00 0.44 -2.24 -1.26 -3.17 114.28 107.41 3kir n THR 57 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 3kir n THR 57 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3kir n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kir n THR 58 N 0.00 0.00 -1.21 4.28 -1.04 -1.26 -4.96 114.28 110.09 3kir n THR 58 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 3kir n THR 58 Cb 0.00 0.00 0.18 0.00 -1.82 0.00 0.00 70.33 68.69 3kir n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kir n LEU 59 N 0.00 2.78 0.12 -4.42 0.00 -1.19 -4.52 117.00 109.77 3kir n LEU 59 Ca 0.00 -3.32 -0.22 0.00 0.00 0.00 0.00 56.01 52.47 3kir n LEU 59 Cb 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 43.42 42.78 3kir n LEU 59 CO 0.00 0.91 -0.29 0.24 0.00 0.00 0.00 177.39 178.25 3kir h MET 60 N 0.55 0.44 -6.84 1.96 2.86 -1.93 -3.45 114.93 108.52 3kir h MET 60 Ca 0.02 -0.76 -0.54 0.00 -2.06 0.00 0.00 59.70 56.36 3kir h MET 60 Cb 1.11 0.28 0.09 0.00 0.06 0.00 0.00 31.60 33.15 3kir h MET 60 CO 0.06 1.35 0.85 2.89 1.06 0.00 0.00 176.91 183.12 3kir n ARG 61 N -3.64 2.69 -3.28 1.72 -4.01 -1.26 -5.00 116.66 103.89 3kir n ARG 61 Ca -0.17 0.95 -0.18 0.00 -1.04 0.00 0.00 57.85 57.41 3kir n ARG 61 Cb 1.08 -2.72 0.00 0.00 -3.04 0.00 0.00 32.46 27.79 3kir n ARG 61 CO 0.00 0.00 0.00 -0.48 -3.04 0.00 0.00 177.63 174.11 3kir s LEU 62 N -0.95 3.81 -1.20 2.89 2.34 -1.26 -5.06 118.68 119.25 3kir s LEU 62 Ca 0.61 -0.31 -0.13 0.00 0.06 0.00 0.00 54.13 54.36 3kir s LEU 62 Cb -0.49 -2.68 0.19 0.00 -0.56 0.00 0.00 46.19 42.64 3kir s LEU 62 CO 0.53 -0.58 1.42 -0.81 -1.06 0.00 0.00 176.35 175.86 3kir n PRO 63 N -1.72 3.43 0.00 1.48 -0.04 -1.26 -4.68 135.00 132.20 3kir n PRO 63 Ca 0.03 -3.92 0.12 0.00 -0.04 0.00 0.00 63.50 59.69 3kir n PRO 63 Cb 0.59 -2.96 0.66 0.00 -0.04 0.00 0.00 33.50 31.75 3kir n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3kir n LYS 64 N 5.05 0.54 -0.74 0.54 0.00 -1.26 -3.23 118.16 119.06 3kir n LYS 64 Ca 0.35 0.03 -0.09 0.00 0.00 0.00 0.00 58.31 58.61 3kir n LYS 64 Cb 0.42 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.82 3kir n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3kir n ARG 65 N -1.16 1.48 -0.40 1.64 0.63 -1.26 -4.85 116.66 112.74 3kir n ARG 65 Ca 0.15 -0.72 -0.29 0.00 -0.92 0.00 0.00 57.85 56.06 3kir n ARG 65 Cb 0.14 -1.85 0.28 0.00 0.45 0.00 0.00 32.46 31.48 3kir n ARG 65 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3kir s GLY 66 N 2.23 1.48 -0.20 5.14 0.00 -1.20 -4.56 107.32 110.21 3kir s GLY 66 Ca 0.49 -0.40 -0.08 0.00 0.00 0.00 0.00 44.72 44.72 3kir s GLY 66 CO 0.00 0.46 0.28 -0.13 0.00 0.00 0.00 173.10 173.71 3kir n MET 67 N -5.33 -1.13 -0.05 2.90 0.00 -1.26 -5.00 117.12 107.24 3kir n MET 67 Ca 0.06 1.27 0.02 0.00 -0.00 0.00 0.00 57.70 59.05 3kir n MET 67 Cb 0.56 -3.48 0.04 0.00 0.00 0.00 0.00 33.22 30.35 3kir n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3kir n GLN 68 N -0.40 2.51 0.00 2.12 6.02 -1.26 -5.09 117.38 121.28 3kir n GLN 68 Ca 0.06 -1.55 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 3kir n GLN 68 Cb 0.22 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.39 3kir n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kir n GLY 69 N -0.12 3.01 0.00 1.08 0.00 -1.26 -5.12 105.19 102.78 3kir n GLY 69 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3kir n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kir n GLN 70 N 0.98 1.14 -0.01 1.61 -0.06 -1.26 -5.02 117.38 114.75 3kir n GLN 70 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.78 3kir n GLN 70 Cb 0.00 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.05 3kir n GLN 70 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 3kir h VAL 71 N -0.07 0.81 0.00 1.69 3.04 -2.03 -3.34 116.25 116.35 3kir h VAL 71 Ca 0.00 -2.33 0.00 0.00 -1.01 0.00 0.00 66.70 63.36 3kir h VAL 71 Cb 0.00 2.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 3kir h VAL 71 CO 0.00 0.72 0.00 -2.65 -1.01 0.00 0.00 177.57 174.63 3kir n PRO 72 N -3.81 0.08 0.00 4.17 -0.02 -1.26 -4.94 135.00 129.22 3kir n PRO 72 Ca -0.30 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3kir n PRO 72 Cb 0.93 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 3kir n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kir n GLY 73 N -0.89 -0.32 3.74 -1.23 0.00 -1.26 -5.04 105.19 100.20 3kir n GLY 73 Ca 0.01 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 3kir n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kir s GLU 74 N 0.00 1.89 -0.15 1.61 -1.05 -1.26 -4.66 118.70 115.08 3kir s GLU 74 Ca 0.00 1.30 -0.20 0.00 -0.15 0.00 0.00 54.97 55.92 3kir s GLU 74 Cb 0.00 -1.85 -0.03 0.00 -0.44 0.00 0.00 34.13 31.81 3kir s GLU 74 CO 0.00 -1.94 0.56 0.42 0.95 0.00 0.00 175.26 175.26 3kir s ILE 75 N -2.79 5.10 -0.43 1.83 1.09 -1.26 -5.00 121.20 119.74 3kir s ILE 75 Ca 0.63 1.09 -0.27 0.00 -1.10 0.00 0.00 60.65 61.01 3kir s ILE 75 Cb -0.19 -3.89 -0.05 0.00 -1.06 0.00 0.00 42.46 37.26 3kir s ILE 75 CO 0.56 0.21 2.25 -0.75 -0.10 0.00 0.00 174.94 177.12 3kir s LYS 76 N 1.28 2.50 -0.01 2.79 2.47 -1.26 -4.91 119.74 122.59 3kir s LYS 76 Ca 0.28 1.46 -0.04 0.00 -1.56 0.00 0.00 55.97 56.10 3kir s LYS 76 Cb -0.16 -4.48 0.00 0.00 -1.46 0.00 0.00 37.83 31.73 3kir s LYS 76 CO 0.11 -2.83 0.10 -0.98 0.16 0.00 0.00 175.35 171.90 3kir s ARG 77 N 7.47 0.30 0.05 4.03 1.70 -1.26 -5.13 118.95 126.11 3kir s ARG 77 Ca 0.93 -0.19 -0.31 0.00 -0.47 0.00 0.00 55.73 55.70 3kir s ARG 77 Cb -0.21 0.12 -0.10 0.00 -0.57 0.00 0.00 34.95 34.20 3kir s ARG 77 CO 0.28 -0.06 1.94 -0.35 -1.08 0.00 0.00 175.30 176.03 3kir n PRO 78 N 2.18 2.81 -4.19 3.89 -0.04 -1.26 -5.01 135.00 133.38 3kir n PRO 78 Ca -0.18 1.03 -0.35 0.00 -0.04 0.00 0.00 63.50 63.96 3kir n PRO 78 Cb 0.57 -2.96 -0.08 0.00 -0.04 0.00 0.00 33.50 30.99 3kir n PRO 78 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3kir s ARG 79 N 3.99 3.10 -0.16 0.54 1.70 -1.26 -5.06 118.95 121.80 3kir s ARG 79 Ca 0.87 -0.37 -0.06 0.00 -0.47 0.00 0.00 55.73 55.71 3kir s ARG 79 Cb -0.46 -2.90 -0.04 0.00 -0.57 0.00 0.00 34.95 30.98 3kir s ARG 79 CO 0.42 0.70 0.04 0.71 -1.08 0.00 0.00 175.30 176.09 3kir s TYR 80 N -1.00 3.21 -0.32 5.89 2.02 -1.26 -3.18 117.35 122.70 3kir s TYR 80 Ca 0.16 0.03 -0.08 0.00 -0.37 0.00 0.00 57.07 56.81 3kir s TYR 80 Cb -0.12 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 3kir s TYR 80 CO 0.06 0.18 0.13 -1.14 -1.57 0.00 0.00 175.55 173.21 3kir s GLN 81 N 0.15 3.00 0.27 -0.62 2.00 -0.02 -4.95 119.66 119.49 3kir s GLN 81 Ca 0.03 -0.93 -0.24 0.00 -2.00 0.00 0.00 55.36 52.22 3kir s GLN 81 Cb -0.13 -3.50 -0.09 0.00 0.80 0.00 0.00 33.01 30.09 3kir s GLN 81 CO 0.01 -0.53 0.86 0.20 -0.50 0.00 0.00 175.29 175.33 3kir s GLY 82 N 1.52 2.77 -0.08 2.59 0.00 -1.26 -1.97 107.32 110.88 3kir s GLY 82 Ca 0.02 0.40 -0.03 0.00 0.00 0.00 0.00 44.72 45.10 3kir s GLY 82 CO 0.04 0.82 0.16 0.54 0.00 0.00 0.00 173.10 174.67 3kir s VAL 83 N -1.52 -0.22 0.32 1.40 0.11 -1.14 -4.92 120.40 114.43 3kir s VAL 83 Ca 0.46 0.31 -0.28 0.00 -2.93 0.00 0.00 61.98 59.54 3kir s VAL 83 Cb -0.19 -0.29 -0.09 0.00 -1.53 0.00 0.00 36.38 34.28 3kir s VAL 83 CO 0.23 0.13 1.12 0.20 -3.33 0.00 0.00 175.10 173.45 3kir s ASN 84 N 2.05 7.03 0.13 3.54 0.02 -1.22 -2.55 114.94 123.94 3kir s ASN 84 Ca 0.00 2.28 0.11 0.00 -1.02 0.00 0.00 52.86 54.23 3kir s ASN 84 Cb -0.12 -2.62 0.56 0.00 0.02 0.00 0.00 41.25 39.09 3kir s ASN 84 CO -0.06 -0.31 1.35 0.00 0.02 0.00 0.00 177.10 178.10 3kir n LEU 85 N 0.78 0.25 0.04 0.60 -0.00 -1.01 -0.68 117.00 116.98 3kir n LEU 85 Ca 0.01 0.60 0.03 0.00 -0.00 0.00 0.00 56.01 56.65 3kir n LEU 85 Cb 0.46 -0.61 0.40 0.00 -0.00 0.00 0.00 43.42 43.67 3kir n LEU 85 CO 0.52 -0.61 1.06 0.50 -0.00 0.00 0.00 177.39 178.86 3kir h LYS 86 N 0.00 0.45 0.08 1.47 3.64 -1.72 -1.79 116.57 118.70 3kir h LYS 86 Ca 0.00 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.06 3kir h LYS 86 Cb 0.08 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3kir h LYS 86 CO 0.00 0.38 -1.26 -0.44 -2.27 0.00 0.00 179.45 175.86 3kir h ASP 87 N 0.45 0.27 -0.67 4.20 3.32 -1.21 -3.32 116.42 119.45 3kir h ASP 87 Ca 0.11 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 3kir h ASP 87 Cb 0.11 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3kir h ASP 87 CO -0.01 1.25 0.41 -0.07 -1.72 0.00 0.00 179.24 179.10 3kir h LEU 88 N 0.05 0.82 -0.20 1.55 4.07 -1.34 -3.07 115.31 117.18 3kir h LEU 88 Ca -0.13 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.79 3kir h LEU 88 Cb 1.93 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 43.46 3kir h LEU 88 CO 0.17 0.63 0.55 0.00 -1.08 0.00 0.00 178.44 178.71 3kir n ALA 89 N -2.43 0.20 -0.23 1.53 0.00 -0.85 -2.44 120.51 116.28 3kir n ALA 89 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kir n ALA 89 Cb 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3kir n ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kir n ARG 90 N -1.63 0.00 -2.99 0.00 0.63 -1.16 -4.83 116.66 106.67 3kir n ARG 90 Ca -0.00 0.39 -0.36 0.00 -0.92 0.00 0.00 57.85 56.96 3kir n ARG 90 Cb 0.55 -1.24 -0.06 0.00 0.45 0.00 0.00 32.46 32.16 3kir n ARG 90 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3kir s PHE 91 N -2.03 3.61 -0.06 -0.14 -0.71 -1.02 -5.08 117.98 112.55 3kir s PHE 91 Ca 0.00 1.50 0.04 0.00 -1.04 0.00 0.00 56.93 57.43 3kir s PHE 91 Cb 0.00 -2.71 -0.02 0.00 -1.21 0.00 0.00 43.02 39.08 3kir s PHE 91 CO 0.00 0.25 -0.19 -2.00 -1.34 0.00 0.00 175.22 171.94 3kir s GLU 92 N -2.18 2.56 0.00 1.99 2.12 -1.26 -5.00 118.70 116.93 3kir s GLU 92 Ca 0.47 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 55.02 3kir s GLU 92 Cb -0.16 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.92 3kir s GLU 92 CO 0.21 0.50 0.00 0.41 -0.54 0.00 0.00 175.26 175.84 3kir n GLY 93 N 2.64 0.56 3.21 -1.50 0.00 -1.26 -5.03 105.19 103.81 3kir n GLY 93 Ca -0.17 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 3kir n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kir s GLU 94 N 0.00 2.54 -0.16 1.61 2.12 -1.26 -3.85 118.70 119.69 3kir s GLU 94 Ca 0.00 -1.21 -0.18 0.00 0.36 0.00 0.00 54.97 53.95 3kir s GLU 94 Cb 0.00 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 3kir s GLU 94 CO 0.00 -0.62 0.46 0.14 -0.54 0.00 0.00 175.26 174.70 3kir s VAL 95 N 1.32 5.17 0.03 3.70 -7.23 -0.81 -5.02 120.40 117.55 3kir s VAL 95 Ca -0.04 0.88 0.03 0.00 -1.81 0.00 0.00 61.98 61.05 3kir s VAL 95 Cb -0.19 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 32.93 3kir s VAL 95 CO 0.00 0.27 -0.10 0.42 -0.31 0.00 0.00 175.10 175.39 3kir s THR 96 N 1.03 0.75 -0.41 5.32 -4.23 -1.26 -0.78 115.64 116.07 3kir s THR 96 Ca 0.23 -0.83 -0.27 0.00 -1.18 0.00 0.00 61.69 59.65 3kir s THR 96 Cb -0.15 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 72.92 3kir s THR 96 CO 0.09 -0.09 2.25 -2.84 -0.54 0.00 0.00 174.62 173.49 3kir s PRO 97 N -1.02 2.57 0.00 3.99 0.02 -1.26 0.17 135.00 139.48 3kir s PRO 97 Ca -0.02 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.52 3kir s PRO 97 Cb -0.07 -4.47 0.00 0.00 0.02 0.00 0.00 34.50 29.98 3kir s PRO 97 CO 0.01 -2.75 0.00 -0.85 -0.33 0.00 0.00 177.00 173.08 3kir n GLU 98 N 8.91 0.00 0.11 5.54 -0.00 -1.26 -4.87 120.64 129.06 3kir n GLU 98 Ca 0.32 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.50 3kir n GLU 98 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 31.44 31.95 3kir n GLU 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3kir h LEU 99 N 0.00 0.00 0.01 -1.84 6.46 -0.65 -2.86 115.31 116.43 3kir h LEU 99 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 3kir h LEU 99 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3kir h LEU 99 CO 0.00 0.48 -0.17 -0.07 -0.62 0.00 0.00 178.44 178.06 3kir h LEU 100 N 0.00 0.12 -0.69 2.25 -0.00 -1.83 -3.26 115.31 111.90 3kir h LEU 100 Ca -0.05 -0.87 0.13 0.00 -0.00 0.00 0.00 57.88 57.10 3kir h LEU 100 Cb 1.41 -0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 41.93 3kir h LEU 100 CO 0.05 0.98 0.21 -0.37 -0.00 0.00 0.00 178.44 179.31 3kir h VAL 101 N -0.71 0.62 0.00 1.22 -1.51 -1.54 0.27 116.25 114.60 3kir h VAL 101 Ca -0.03 -0.12 -0.01 0.00 -1.23 0.00 0.00 66.70 65.32 3kir h VAL 101 Cb 1.02 0.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3kir h VAL 101 CO 0.03 0.06 -0.00 -1.14 -1.23 0.00 0.00 177.57 175.29 3kir n ARG 102 N -5.08 0.67 0.00 5.19 0.63 -1.08 -4.41 116.66 112.58 3kir n ARG 102 Ca 0.12 -0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3kir n ARG 102 Cb 0.39 -1.27 0.00 0.00 0.45 0.00 0.00 32.46 32.03 3kir n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kir n ALA 103 N 1.82 0.00 -1.00 5.13 0.00 0.23 -4.98 120.51 121.70 3kir n ALA 103 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3kir n ALA 103 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3kir n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 104 N 0.00 -3.12 0.53 0.00 0.00 0.71 -5.01 105.19 98.28 3kir n GLY 104 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.33 3kir n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kir n LEU 105 N 0.00 0.00 0.00 0.99 4.32 -1.26 -4.66 117.00 116.40 3kir n LEU 105 Ca 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 3kir n LEU 105 Cb 0.00 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 3kir n LEU 105 CO 0.00 -0.87 0.00 -0.11 -1.22 0.00 0.00 177.39 175.19 3kir n LEU 106 N 0.00 0.00 -3.04 2.23 7.94 -1.26 -2.42 117.00 120.45 3kir n LEU 106 Ca 0.02 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.92 3kir n LEU 106 Cb 0.08 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.03 3kir n LEU 106 CO 0.06 0.00 -0.36 2.29 -1.11 0.00 0.00 177.39 178.27 3kir n LYS 107 N 0.00 -1.42 -0.11 1.96 2.85 -1.26 -2.70 118.16 117.48 3kir n LYS 107 Ca 0.00 1.43 0.00 0.00 -1.05 0.00 0.00 58.31 58.69 3kir n LYS 107 Cb 0.00 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.50 3kir n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3kir n LYS 108 N 1.65 0.00 0.00 -1.58 4.01 -1.26 -4.60 118.16 116.38 3kir n LYS 108 Ca -0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 3kir n LYS 108 Cb 0.29 -2.18 0.00 0.00 -0.51 0.00 0.00 35.03 32.63 3kir n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kir n GLY 109 N -0.62 -0.06 2.58 0.72 0.00 -1.10 -4.88 105.19 101.83 3kir n GLY 109 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3kir n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kir n TYR 110 N -0.40 -2.68 0.00 1.61 9.36 -1.26 -4.46 117.16 119.33 3kir n TYR 110 Ca 0.00 0.85 0.00 0.00 3.32 0.00 0.00 57.90 62.07 3kir n TYR 110 Cb 0.00 -1.52 0.00 0.00 -0.63 0.00 0.00 39.34 37.19 3kir n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3kir n ARG 111 N -2.61 0.00 -3.68 2.98 1.74 -1.19 -4.15 116.66 109.75 3kir n ARG 111 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 3kir n ARG 111 Cb 0.31 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.67 3kir n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kir s LEU 112 N 0.00 4.20 -0.49 0.55 1.98 -1.26 -0.84 118.68 122.82 3kir s LEU 112 Ca 0.00 0.27 0.03 0.00 -2.89 0.00 0.00 54.13 51.55 3kir s LEU 112 Cb 0.00 -2.15 0.13 0.00 0.66 0.00 0.00 46.19 44.83 3kir s LEU 112 CO 0.00 0.14 0.26 -0.75 -1.89 0.00 0.00 176.35 174.12 3kir s LYS 113 N 0.49 1.69 -0.11 1.98 2.20 -0.83 -1.05 119.74 124.10 3kir s LYS 113 Ca 0.10 -2.38 -0.29 0.00 -0.36 0.00 0.00 55.97 53.03 3kir s LYS 113 Cb -0.12 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 3kir s LYS 113 CO 0.00 -1.14 1.61 -1.50 -0.36 0.00 0.00 175.35 173.96 3kir s ILE 114 N -0.06 3.68 0.01 5.43 1.10 -0.70 -2.90 121.20 127.76 3kir s ILE 114 Ca 0.18 0.81 0.00 0.00 -0.51 0.00 0.00 60.65 61.13 3kir s ILE 114 Cb -0.24 -3.58 -0.00 0.00 0.15 0.00 0.00 42.46 38.79 3kir s ILE 114 CO -0.01 -0.13 0.01 0.00 -2.11 0.00 0.00 174.94 172.70 3kir n LEU 115 N 7.52 0.00 0.00 8.50 -0.00 -1.06 -3.04 117.00 128.92 3kir n LEU 115 Ca 0.18 -0.12 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 3kir n LEU 115 Cb 0.44 0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 3kir n LEU 115 CO 0.62 -0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.60 3kir n GLY 116 N -0.02 2.94 3.91 1.47 0.00 -1.26 -2.40 105.19 109.82 3kir n GLY 116 Ca 0.00 -1.90 -0.20 0.00 0.00 0.00 0.00 46.02 43.92 3kir n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kir s GLU 117 N -1.99 2.93 0.00 1.61 2.02 -1.26 -4.62 118.70 117.39 3kir s GLU 117 Ca 0.00 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 53.85 3kir s GLU 117 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3kir s GLU 117 CO 0.00 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.81 3kir n GLY 118 N -1.47 1.38 3.76 -1.39 0.00 -1.26 -2.24 105.19 103.97 3kir n GLY 118 Ca -0.02 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3kir n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kir s GLU 119 N -3.42 3.43 0.87 1.61 0.41 -1.26 -4.72 118.70 115.62 3kir s GLU 119 Ca 0.00 2.17 -0.09 0.00 -0.41 0.00 0.00 54.97 56.64 3kir s GLU 119 Cb 0.00 -2.40 0.19 0.00 -1.78 0.00 0.00 34.13 30.14 3kir s GLU 119 CO 0.00 -0.94 1.18 0.00 -0.49 0.00 0.00 175.26 175.02 3kir n ALA 120 N -0.67 -0.73 -3.00 5.21 0.00 -1.26 -4.66 120.51 115.39 3kir n ALA 120 Ca 0.08 -1.85 -0.12 0.00 0.00 0.00 0.00 53.44 51.55 3kir n ALA 120 Cb 0.45 0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 3kir n ALA 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kir s LYS 121 N -5.55 0.18 -0.99 0.00 1.02 -1.26 -5.05 119.74 108.09 3kir s LYS 121 Ca 0.72 0.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.50 3kir s LYS 121 Cb -0.03 0.08 -0.23 0.00 -0.52 0.00 0.00 37.83 37.13 3kir s LYS 121 CO 0.49 -0.03 2.03 -2.30 -0.92 0.00 0.00 175.35 174.62 3kir n PRO 122 N 2.76 0.08 -3.54 -1.68 -0.02 -1.16 -4.71 135.00 126.74 3kir n PRO 122 Ca -0.14 -1.58 -0.17 0.00 -2.02 0.00 0.00 63.50 59.58 3kir n PRO 122 Cb 0.59 -3.73 -0.06 0.00 -0.02 0.00 0.00 33.50 30.27 3kir n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3kir s LEU 123 N 15.89 -0.64 0.00 2.45 0.05 -1.24 -4.89 118.68 130.30 3kir s LEU 123 Ca 0.77 0.75 -0.30 0.00 0.05 0.00 0.00 54.13 55.40 3kir s LEU 123 Cb -0.04 2.47 -0.04 0.00 -2.05 0.00 0.00 46.19 46.53 3kir s LEU 123 CO 0.19 -0.55 1.17 -0.54 -0.55 0.00 0.00 176.35 176.06 3kir s LYS 124 N -1.04 4.42 -0.17 1.48 -0.14 -1.25 -2.74 119.74 120.30 3kir s LYS 124 Ca -0.09 1.68 0.01 0.00 -1.36 0.00 0.00 55.97 56.20 3kir s LYS 124 Cb -0.00 -3.45 0.03 0.00 -1.68 0.00 0.00 37.83 32.72 3kir s LYS 124 CO 0.08 -0.31 -0.13 0.14 -0.76 0.00 0.00 175.35 174.37 3kir s VAL 125 N 1.54 1.64 0.28 3.17 -7.23 -1.26 -1.93 120.40 116.61 3kir s VAL 125 Ca 0.57 -0.78 -0.09 0.00 -1.81 0.00 0.00 61.98 59.86 3kir s VAL 125 Cb -0.26 -1.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.02 3kir s VAL 125 CO 0.26 0.37 0.60 -0.69 -0.31 0.00 0.00 175.10 175.34 3kir s VAL 126 N 1.44 4.91 0.06 1.32 1.01 0.04 -3.46 120.40 125.72 3kir s VAL 126 Ca 0.03 0.43 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 3kir s VAL 126 Cb -0.14 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.64 3kir s VAL 126 CO -0.10 -0.21 0.86 0.00 0.00 0.00 0.00 175.10 175.64 3kir n ALA 127 N -0.53 -2.34 0.43 5.51 0.00 -0.75 -3.98 120.51 118.85 3kir n ALA 127 Ca 0.01 -0.68 0.07 0.00 0.00 0.00 0.00 53.44 52.84 3kir n ALA 127 Cb 0.53 0.27 -0.10 0.00 0.00 0.00 0.00 19.45 20.16 3kir n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kir n HIS 128 N -0.61 0.00 -3.61 0.00 8.25 -0.21 -4.14 115.22 114.90 3kir n HIS 128 Ca 0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.40 3kir n HIS 128 Cb 0.43 -0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.37 3kir n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kir s ALA 129 N -2.64 -2.02 0.10 -1.41 0.00 -1.14 -4.61 121.76 110.04 3kir s ALA 129 Ca 0.01 1.72 0.04 0.00 0.00 0.00 0.00 51.96 53.73 3kir s ALA 129 Cb 0.11 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 3kir s ALA 129 CO 0.61 -0.29 -0.11 -0.06 0.00 0.00 0.00 175.76 175.91 3kir s PHE 130 N -1.13 1.13 0.41 0.00 0.08 -1.26 -1.72 117.98 115.49 3kir s PHE 130 Ca 0.03 -0.64 -0.06 0.00 0.12 0.00 0.00 56.93 56.39 3kir s PHE 130 Cb -0.01 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.79 3kir s PHE 130 CO -0.03 0.03 0.71 -1.54 -0.10 0.00 0.00 175.22 174.29 3kir s SER 131 N -2.45 6.36 0.09 1.36 1.04 -1.17 -4.91 113.70 114.03 3kir s SER 131 Ca 0.06 0.88 -0.35 0.00 0.48 0.00 0.00 55.95 57.02 3kir s SER 131 Cb -0.03 -2.22 -0.16 0.00 0.10 0.00 0.00 66.02 63.71 3kir s SER 131 CO 0.01 -0.43 1.57 0.11 0.98 0.00 0.00 173.24 175.47 3kir h LYS 132 N 0.79 -0.86 -0.66 4.02 1.57 -1.99 -0.67 116.57 118.77 3kir h LYS 132 Ca -0.47 0.06 0.13 0.00 -1.87 0.00 0.00 60.65 58.49 3kir h LYS 132 Cb 1.20 0.19 -0.13 0.00 0.08 0.00 0.00 32.23 33.58 3kir h LYS 132 CO 0.63 -0.57 -0.24 1.03 -0.57 0.00 0.00 179.45 179.73 3kir h SER 133 N -0.89 -0.84 -0.16 0.86 0.87 -1.97 -2.02 113.55 109.40 3kir h SER 133 Ca -0.03 0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 3kir h SER 133 Cb 0.82 0.49 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 3kir h SER 133 CO -0.16 -0.26 0.01 0.00 -0.53 0.00 0.00 176.83 175.90 3kir h ALA 134 N 1.44 0.22 -1.08 6.23 0.00 -1.77 -2.65 119.26 121.66 3kir h ALA 134 Ca 0.30 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.33 3kir h ALA 134 Cb 0.53 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 3kir h ALA 134 CO -0.71 -0.10 0.67 1.25 0.00 0.00 0.00 179.25 180.36 3kir h LEU 135 N 0.04 0.46 0.47 0.00 7.12 -0.44 0.24 115.31 123.20 3kir h LEU 135 Ca 0.05 0.12 -0.02 0.00 0.13 0.00 0.00 57.88 58.15 3kir h LEU 135 Cb 0.34 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 3kir h LEU 135 CO 0.01 0.01 -0.23 -0.33 -0.13 0.00 0.00 178.44 177.77 3kir h GLU 136 N 0.36 -0.61 0.00 1.25 4.39 -1.04 -1.44 114.58 117.50 3kir h GLU 136 Ca 0.66 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.39 3kir h GLU 136 Cb 1.66 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 30.45 3kir h GLU 136 CO -0.39 -0.36 -0.05 0.87 -1.16 0.00 0.00 179.01 177.91 3kir h LYS 137 N -0.74 0.00 0.00 2.33 1.57 -0.82 -1.83 116.57 117.07 3kir h LYS 137 Ca -0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3kir h LYS 137 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3kir h LYS 137 CO 0.11 0.05 -1.05 1.25 -0.57 0.00 0.00 179.45 179.24 3kir h LEU 138 N 0.00 0.00 -1.78 2.94 5.85 -1.16 -3.26 115.31 117.90 3kir h LEU 138 Ca -0.00 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.87 3kir h LEU 138 Cb 0.14 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3kir h LEU 138 CO 0.01 0.49 0.44 0.50 -0.34 0.00 0.00 178.44 179.54 3kir h LYS 139 N 0.00 0.21 -3.74 1.25 3.64 -0.36 -2.13 116.57 115.44 3kir h LYS 139 Ca -0.09 -0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 58.69 3kir h LYS 139 Cb 1.46 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 33.24 3kir h LYS 139 CO 0.05 0.14 2.93 0.00 -2.27 0.00 0.00 179.45 180.30 3kir n ALA 140 N -2.58 5.17 -1.01 5.00 0.00 -1.23 -4.31 120.51 121.55 3kir n ALA 140 Ca 0.12 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.45 3kir n ALA 140 Cb 0.55 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.63 3kir n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kir n ALA 141 N 5.36 -1.14 -3.00 0.00 0.00 -1.12 -4.76 120.51 115.85 3kir n ALA 141 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3kir n ALA 141 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3kir n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 142 N -0.63 2.69 3.78 0.00 0.00 -0.82 -3.00 105.19 107.20 3kir n GLY 142 Ca 0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 3kir n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kir s GLY 143 N -0.04 2.12 0.00 -0.02 0.00 -1.11 -4.80 107.32 103.47 3kir s GLY 143 Ca 0.00 -1.93 0.22 0.00 0.00 0.00 0.00 44.72 43.01 3kir s GLY 143 CO 0.00 -1.79 1.14 -2.21 0.00 0.00 0.00 173.10 170.24 3kir n GLU 144 N -1.29 0.00 -1.65 2.90 2.13 -1.26 -4.66 120.64 116.80 3kir n GLU 144 Ca -0.01 -1.83 -0.43 0.00 0.66 0.00 0.00 57.16 55.55 3kir n GLU 144 Cb 0.62 -0.07 -0.03 0.00 0.27 0.00 0.00 31.44 32.24 3kir n GLU 144 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3kir s PRO 145 N 0.00 3.37 0.00 5.31 0.02 -1.23 -4.84 135.00 137.64 3kir s PRO 145 Ca 0.28 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3kir s PRO 145 Cb 0.33 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 30.53 3kir s PRO 145 CO -0.14 -1.83 0.00 1.55 -0.33 0.00 0.00 177.00 176.25 3kir n VAL 146 N 7.22 0.00 0.00 3.83 3.14 -1.26 -1.80 118.33 129.46 3kir n VAL 146 Ca 0.27 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.65 3kir n VAL 146 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 3kir n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3kir n LEU 147 N 0.00 0.00 -1.00 6.55 7.94 -1.26 -4.78 117.00 124.44 3kir n LEU 147 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 3kir n LEU 147 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 3kir n LEU 147 CO 0.00 0.00 -0.33 0.18 -1.11 0.00 0.00 177.39 176.13 3kir n LEU 148 N 0.00 -0.54 -0.21 -1.96 4.77 -1.26 -4.86 117.00 112.94 3kir n LEU 148 Ca 0.00 1.26 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 3kir n LEU 148 Cb 0.00 -2.39 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 3kir n LEU 148 CO 0.00 -1.15 0.00 -0.62 -1.33 0.00 0.00 177.39 174.29 3kir n GLU 149 N -3.68 0.00 0.00 3.23 -0.58 -1.26 -5.09 120.64 113.26 3kir n GLU 149 Ca -0.05 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 3kir n GLU 149 Cb 0.38 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.19 3kir n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65