#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n LEU 6 N 0.00 0.00 -0.12 -2.67 -0.00 -1.26 -5.06 117.00 107.89 3kiy n LEU 6 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 3kiy n LEU 6 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 3kiy n LEU 6 CO 0.00 -0.27 -1.21 0.54 -0.00 0.00 0.00 177.39 176.45 3kiy n ARG 7 N -0.47 0.61 -0.65 1.47 5.12 -1.26 -4.39 116.66 117.10 3kiy n ARG 7 Ca 0.00 0.29 -0.08 0.00 -1.93 0.00 0.00 57.85 56.13 3kiy n ARG 7 Cb 0.00 -1.56 -0.11 0.00 -1.16 0.00 0.00 32.46 29.63 3kiy n ARG 7 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3kiy n PRO 8 N -3.98 1.31 0.06 5.56 -0.04 -1.26 -3.78 135.00 132.86 3kiy n PRO 8 Ca -0.47 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 3kiy n PRO 8 Cb 0.89 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 3kiy n PRO 8 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kiy n ASN 9 N 2.60 0.13 -0.03 3.54 4.13 -1.26 -4.92 115.26 119.45 3kiy n ASN 9 Ca 0.27 0.19 0.03 0.00 1.68 0.00 0.00 54.58 56.75 3kiy n ASN 9 Cb 0.60 0.08 0.05 0.00 -1.54 0.00 0.00 39.78 38.98 3kiy n ASN 9 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3kiy n PRO 10 N -3.00 -0.00 0.00 3.52 -0.04 -1.25 -4.78 135.00 129.45 3kiy n PRO 10 Ca 0.00 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3kiy n PRO 10 Cb 0.00 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 3kiy n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kiy n GLY 11 N -1.03 0.00 3.57 0.55 0.00 -1.26 -4.60 105.19 102.41 3kiy n GLY 11 Ca 0.03 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.58 3kiy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy n ALA 12 N 0.00 -0.71 -1.96 4.61 0.00 -1.26 -4.95 120.51 116.24 3kiy n ALA 12 Ca 0.00 0.44 -0.25 0.00 0.00 0.00 0.00 53.44 53.63 3kiy n ALA 12 Cb 0.00 -2.00 0.06 0.00 0.00 0.00 0.00 19.45 17.51 3kiy n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kiy s ASN 13 N -0.24 4.98 0.00 0.00 6.03 -1.26 -4.84 114.94 119.61 3kiy s ASN 13 Ca 0.68 0.43 0.00 0.00 -1.03 0.00 0.00 52.86 52.94 3kiy s ASN 13 Cb -0.81 -1.16 0.00 0.00 -3.03 0.00 0.00 41.25 36.26 3kiy s ASN 13 CO 0.55 -1.46 0.00 0.29 -2.03 0.00 0.00 177.10 174.45 3kiy n LYS 14 N -2.80 0.00 -4.01 3.55 5.02 -1.26 -4.02 118.16 114.64 3kiy n LYS 14 Ca 0.07 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.06 3kiy n LYS 14 Cb 0.60 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.46 3kiy n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kiy s ARG 15 N 0.00 1.46 -0.08 1.97 0.52 -1.26 -4.78 118.95 116.78 3kiy s ARG 15 Ca 0.00 -1.84 -0.00 0.00 -0.52 0.00 0.00 55.73 53.37 3kiy s ARG 15 Cb 0.00 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.26 3kiy s ARG 15 CO 0.00 -0.93 -0.08 2.89 0.02 0.00 0.00 175.30 177.19 3kiy n ARG 16 N 4.28 0.21 -2.08 3.54 -4.01 -1.26 -5.00 116.66 112.34 3kiy n ARG 16 Ca 0.03 0.05 -0.05 0.00 -1.04 0.00 0.00 57.85 56.85 3kiy n ARG 16 Cb 0.42 -1.11 -0.01 0.00 -3.04 0.00 0.00 32.46 28.72 3kiy n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3kiy n LYS 17 N -2.85 -0.97 0.30 2.89 4.81 -1.26 -4.61 118.16 116.46 3kiy n LYS 17 Ca -0.15 0.02 0.11 0.00 -0.87 0.00 0.00 58.31 57.42 3kiy n LYS 17 Cb 0.65 -0.59 0.53 0.00 0.02 0.00 0.00 35.03 35.65 3kiy n LYS 17 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kiy h ARG 18 N 0.05 0.00 -5.09 1.64 2.47 -2.02 -3.39 114.38 108.03 3kiy h ARG 18 Ca -0.08 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.36 3kiy h ARG 18 Cb 0.18 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.42 3kiy h ARG 18 CO 0.11 0.00 1.51 1.33 0.56 0.00 0.00 179.97 183.49 3kiy n VAL 19 N -2.83 -0.00 -1.22 2.04 0.24 -1.26 -4.90 118.33 110.39 3kiy n VAL 19 Ca 0.00 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.34 61.53 3kiy n VAL 19 Cb 0.64 -0.56 0.20 0.00 -1.47 0.00 0.00 33.84 32.65 3kiy n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kiy s GLY 20 N 3.31 1.58 -0.52 7.63 0.00 -1.26 -4.97 107.32 113.08 3kiy s GLY 20 Ca 1.22 -0.68 -0.22 0.00 0.00 0.00 0.00 44.72 45.04 3kiy s GLY 20 CO 0.44 0.05 0.79 -1.60 0.00 0.00 0.00 173.10 172.78 3kiy s ARG 21 N -5.24 3.25 -0.31 2.90 3.52 -1.26 -5.04 118.95 116.77 3kiy s ARG 21 Ca 0.68 -0.51 -0.11 0.00 -0.13 0.00 0.00 55.73 55.66 3kiy s ARG 21 Cb -0.14 -4.06 -0.03 0.00 -1.56 0.00 0.00 34.95 29.17 3kiy s ARG 21 CO 0.56 -1.34 0.19 0.20 -0.81 0.00 0.00 175.30 174.10 3kiy s GLY 22 N 2.71 1.91 -0.29 8.12 0.00 -1.26 -5.08 107.32 113.43 3kiy s GLY 22 Ca 0.24 -1.27 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 3kiy s GLY 22 CO 0.16 0.70 0.19 -4.14 0.00 0.00 0.00 173.10 170.01 3kiy s PRO 23 N 1.70 3.75 0.00 2.90 0.02 -1.26 -4.70 135.00 137.41 3kiy s PRO 23 Ca 0.06 -0.45 0.00 0.00 0.02 0.00 0.00 61.00 60.63 3kiy s PRO 23 Cb -0.17 -3.65 0.00 0.00 0.02 0.00 0.00 34.50 30.70 3kiy s PRO 23 CO 0.09 -0.27 0.00 0.41 -0.33 0.00 0.00 177.00 176.90 3kiy n GLY 24 N 5.05 0.65 0.00 0.52 0.00 -1.08 -4.96 105.19 105.38 3kiy n GLY 24 Ca -0.14 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3kiy n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kiy n SER 25 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.03 113.62 112.35 3kiy n SER 25 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kiy n SER 25 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kiy n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kiy n GLY 26 N 0.00 0.17 2.59 5.00 0.00 -1.26 -4.30 105.19 107.39 3kiy n GLY 26 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3kiy n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kiy s HIS 27 N -1.72 0.27 0.00 1.61 5.65 -1.26 -4.88 115.29 114.96 3kiy s HIS 27 Ca 0.00 -0.51 0.00 0.00 0.25 0.00 0.00 55.06 54.80 3kiy s HIS 27 Cb 0.00 -0.77 0.00 0.00 -1.18 0.00 0.00 32.58 30.63 3kiy s HIS 27 CO 0.00 -0.61 0.00 0.41 -0.65 0.00 0.00 174.74 173.89 3kiy n GLY 28 N 5.26 0.59 3.21 1.59 0.00 -1.26 -4.93 105.19 109.64 3kiy n GLY 28 Ca -0.07 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3kiy n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kiy n LYS 29 N 0.00 3.17 -0.15 1.61 4.01 -1.26 -5.02 118.16 120.51 3kiy n LYS 29 Ca 0.00 -4.48 -0.03 0.00 -0.51 0.00 0.00 58.31 53.30 3kiy n LYS 29 Cb 0.00 -2.48 0.02 0.00 -0.51 0.00 0.00 35.03 32.06 3kiy n LYS 29 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3kiy n THR 30 N 2.41 0.00 0.00 -0.18 -1.04 -1.26 -2.62 114.28 111.59 3kiy n THR 30 Ca 0.23 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 3kiy n THR 30 Cb 0.38 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 3kiy n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kiy n ALA 31 N -3.11 0.00 0.05 2.41 0.00 -1.26 0.23 120.51 118.83 3kiy n ALA 31 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 3kiy n ALA 31 Cb 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 3kiy n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3kiy h THR 32 N 0.00 1.37 0.00 0.00 1.35 -1.87 -3.50 112.91 110.26 3kiy h THR 32 Ca 0.00 -3.08 0.00 0.00 -0.55 0.00 0.00 66.41 62.78 3kiy h THR 32 Cb 0.00 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 3kiy h THR 32 CO 0.00 0.83 0.00 -1.14 -0.25 0.00 0.00 175.52 174.96 3kiy n ARG 33 N -3.33 0.00 -0.90 4.72 0.63 0.13 -4.80 116.66 113.11 3kiy n ARG 33 Ca -0.09 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.49 3kiy n ARG 33 Cb 1.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.86 3kiy n ARG 33 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kiy n GLY 34 N 0.89 -0.07 4.55 5.14 0.00 -1.26 -4.19 105.19 110.26 3kiy n GLY 34 Ca 0.00 0.48 0.06 0.00 0.00 0.00 0.00 46.02 46.57 3kiy n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kiy n HIS 35 N 1.34 -2.41 -4.14 1.61 8.25 -1.26 -5.02 115.22 113.59 3kiy n HIS 35 Ca 0.14 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 3kiy n HIS 35 Cb 0.02 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.17 3kiy n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kiy n LYS 36 N -2.39 0.00 0.00 -0.41 5.02 -1.26 -4.80 118.16 114.32 3kiy n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kiy n LYS 36 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 3kiy n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kiy n GLY 37 N 0.00 0.93 0.00 0.72 0.00 -1.26 -4.99 105.19 100.58 3kiy n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kiy n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLN 38 N -0.42 0.00 0.00 1.61 10.64 -1.26 -5.14 117.38 122.82 3kiy n GLN 38 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3kiy n GLN 38 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3kiy n GLN 38 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3kiy n LYS 39 N 0.00 0.00 -1.99 2.61 0.00 -1.26 -4.98 118.16 112.54 3kiy n LYS 39 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.30 3kiy n LYS 39 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 3kiy n LYS 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3kiy n SER 40 N 0.00 -1.37 -3.52 3.14 2.88 -1.26 -4.95 113.62 108.54 3kiy n SER 40 Ca 0.00 -0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 3kiy n SER 40 Cb 0.00 -0.78 -0.09 0.00 -0.75 0.00 0.00 64.21 62.59 3kiy n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3kiy n ARG 41 N -1.19 1.76 0.00 -1.46 5.12 -1.26 -4.72 116.66 114.91 3kiy n ARG 41 Ca -0.02 -4.21 0.00 0.00 -1.93 0.00 0.00 57.85 51.70 3kiy n ARG 41 Cb 0.50 -2.02 0.00 0.00 -1.16 0.00 0.00 32.46 29.77 3kiy n ARG 41 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3kiy n SER 42 N 1.48 0.00 -0.00 0.55 7.64 -1.26 -4.97 113.62 117.06 3kiy n SER 42 Ca 0.26 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.19 3kiy n SER 42 Cb 0.42 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.55 3kiy n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kiy n GLY 43 N 2.49 -0.16 0.00 0.23 0.00 -1.26 -5.09 105.19 101.40 3kiy n GLY 43 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3kiy n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLY 44 N 1.35 -0.16 3.18 -0.02 0.00 -1.26 -5.16 105.19 103.13 3kiy n GLY 44 Ca 0.02 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 3kiy n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kiy s LEU 45 N 0.00 2.37 0.20 0.99 0.20 -1.26 -4.77 118.68 116.41 3kiy s LEU 45 Ca 0.00 -0.75 -0.23 0.00 0.69 0.00 0.00 54.13 53.84 3kiy s LEU 45 Cb 0.00 -0.39 0.12 0.00 -0.43 0.00 0.00 46.19 45.48 3kiy s LEU 45 CO 0.00 -0.19 1.52 1.17 -0.29 0.00 0.00 176.35 178.56 3kiy n LYS 46 N 0.76 -0.31 0.00 1.98 3.00 -1.26 -4.82 118.16 117.51 3kiy n LYS 46 Ca -0.17 1.50 0.00 0.00 -0.00 0.00 0.00 58.31 59.64 3kiy n LYS 46 Cb 0.57 -2.22 0.00 0.00 0.00 0.00 0.00 35.03 33.37 3kiy n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3kiy n ASP 47 N -5.36 0.00 -0.08 3.14 -0.08 -1.26 -5.00 116.55 107.91 3kiy n ASP 47 Ca 0.07 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.27 3kiy n ASP 47 Cb 0.34 0.02 -0.03 0.00 2.34 0.00 0.00 41.12 43.79 3kiy n ASP 47 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3kiy n PRO 48 N -1.09 0.50 0.00 -0.67 -0.04 -1.26 -5.03 135.00 127.41 3kiy n PRO 48 Ca 0.00 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 3kiy n PRO 48 Cb 0.00 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 3kiy n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kiy n ARG 49 N -4.51 0.00 0.03 0.54 1.74 -1.26 0.21 116.66 113.41 3kiy n ARG 49 Ca -0.12 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.77 3kiy n ARG 49 Cb 0.44 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.75 3kiy n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3kiy h ARG 50 N 0.00 0.30 -7.31 5.56 0.11 -1.99 -3.48 114.38 107.58 3kiy h ARG 50 Ca 0.00 -0.45 -0.44 0.00 0.10 0.00 0.00 59.98 59.19 3kiy h ARG 50 Cb 0.00 0.16 0.18 0.00 1.11 0.00 0.00 29.97 31.41 3kiy h ARG 50 CO 0.00 1.18 0.13 -0.06 0.10 0.00 0.00 179.97 181.32 3kiy s PHE 51 N -2.64 1.64 0.22 4.08 0.08 0.56 -4.73 117.98 117.19 3kiy s PHE 51 Ca -0.14 0.93 0.00 0.00 0.12 0.00 0.00 56.93 57.85 3kiy s PHE 51 Cb 0.01 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 3kiy s PHE 51 CO 0.82 -3.35 0.00 0.39 -0.10 0.00 0.00 175.22 172.97 3kiy n GLU 52 N -4.49 -1.48 0.00 0.44 -0.58 -1.26 -4.81 120.64 108.45 3kiy n GLU 52 Ca 0.06 1.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.95 3kiy n GLU 52 Cb 0.57 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 3kiy n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kiy n GLY 53 N -2.09 3.97 0.00 0.62 0.00 -1.26 -4.51 105.19 101.91 3kiy n GLY 53 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3kiy n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kiy n GLY 54 N 0.00 1.06 0.00 -0.02 0.00 -1.26 -5.07 105.19 99.90 3kiy n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kiy n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kiy n ARG 55 N -1.50 3.09 -2.29 1.61 0.63 -1.26 -5.00 116.66 111.95 3kiy n ARG 55 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 3kiy n ARG 55 Cb 0.00 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.93 3kiy n ARG 55 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3kiy n SER 56 N 0.00 6.60 0.00 6.15 7.64 -1.26 -4.99 113.62 127.76 3kiy n SER 56 Ca 0.00 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.11 3kiy n SER 56 Cb 0.00 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 3kiy n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3kiy n THR 57 N -0.40 0.00 0.00 0.44 -1.04 -1.26 -3.17 114.28 108.85 3kiy n THR 57 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 3kiy n THR 57 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 3kiy n THR 57 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3kiy n THR 58 N 0.00 0.00 -0.85 12.58 -1.04 -1.26 -4.98 114.28 118.72 3kiy n THR 58 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 3kiy n THR 58 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 3kiy n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kiy n LEU 59 N 0.00 1.94 0.07 -4.42 0.00 -1.19 -4.64 117.00 108.76 3kiy n LEU 59 Ca 0.00 -2.47 -0.08 0.00 0.00 0.00 0.00 56.01 53.46 3kiy n LEU 59 Cb 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 43.42 43.22 3kiy n LEU 59 CO 0.00 0.58 0.39 0.24 0.00 0.00 0.00 177.39 178.60 3kiy h MET 60 N 0.00 0.32 -6.61 1.96 2.86 -1.94 -3.45 114.93 108.06 3kiy h MET 60 Ca 0.00 -0.25 -0.53 0.00 -2.06 0.00 0.00 59.70 56.85 3kiy h MET 60 Cb 0.90 0.05 0.06 0.00 0.06 0.00 0.00 31.60 32.66 3kiy h MET 60 CO 0.00 0.89 1.00 2.89 1.06 0.00 0.00 176.91 182.76 3kiy n ARG 61 N -3.83 2.70 -2.76 1.72 -4.01 -1.26 -5.00 116.66 104.22 3kiy n ARG 61 Ca -0.03 0.97 -0.36 0.00 -1.04 0.00 0.00 57.85 57.39 3kiy n ARG 61 Cb 0.68 -2.82 -0.06 0.00 -3.04 0.00 0.00 32.46 27.22 3kiy n ARG 61 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 3kiy s LEU 62 N 1.38 4.21 -1.26 2.89 0.20 -1.26 -4.98 118.68 119.86 3kiy s LEU 62 Ca 0.77 1.82 -0.13 0.00 0.69 0.00 0.00 54.13 57.28 3kiy s LEU 62 Cb -0.53 -4.18 0.15 0.00 -0.43 0.00 0.00 46.19 41.21 3kiy s LEU 62 CO 0.34 -0.20 1.64 -0.81 -0.29 0.00 0.00 176.35 177.03 3kiy n PRO 63 N 0.16 3.39 0.00 0.98 -0.04 -1.26 -4.77 135.00 133.46 3kiy n PRO 63 Ca 0.04 -3.62 0.04 0.00 -0.04 0.00 0.00 63.50 59.91 3kiy n PRO 63 Cb 0.51 -3.08 0.18 0.00 -0.04 0.00 0.00 33.50 31.07 3kiy n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3kiy n LYS 64 N 5.52 0.03 -1.24 0.54 0.00 -1.26 -3.84 118.16 117.90 3kiy n LYS 64 Ca 0.40 0.32 -0.40 0.00 0.00 0.00 0.00 58.31 58.64 3kiy n LYS 64 Cb 0.41 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.87 3kiy n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3kiy n ARG 65 N -1.44 1.24 -1.58 1.64 0.63 -1.26 -4.85 116.66 111.03 3kiy n ARG 65 Ca 0.02 -1.83 -0.29 0.00 -0.92 0.00 0.00 57.85 54.83 3kiy n ARG 65 Cb 0.09 -3.05 0.17 0.00 0.45 0.00 0.00 32.46 30.12 3kiy n ARG 65 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3kiy s GLY 66 N 5.73 1.64 -0.59 5.14 0.00 -1.25 -4.37 107.32 113.63 3kiy s GLY 66 Ca 0.62 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 44.47 3kiy s GLY 66 CO 0.16 -0.15 0.51 -0.13 0.00 0.00 0.00 173.10 173.49 3kiy n MET 67 N -3.96 -1.66 -0.01 2.90 0.00 -1.26 -4.96 117.12 108.17 3kiy n MET 67 Ca 0.11 0.47 -0.17 0.00 -0.00 0.00 0.00 57.70 58.12 3kiy n MET 67 Cb 0.59 -3.95 -0.11 0.00 0.00 0.00 0.00 33.22 29.75 3kiy n MET 67 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 3kiy h GLN 68 N -0.67 0.33 0.00 2.12 4.20 -2.00 -3.49 115.11 115.60 3kiy h GLN 68 Ca -0.33 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.04 3kiy h GLN 68 Cb 1.17 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3kiy h GLN 68 CO 0.25 1.03 0.00 0.41 -0.67 0.00 0.00 178.83 179.85 3kiy n GLY 69 N 1.04 3.87 0.00 3.46 0.00 -1.26 -5.10 105.19 107.20 3kiy n GLY 69 Ca -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3kiy n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kiy n GLN 70 N -0.33 0.02 -0.01 1.61 -0.06 -1.26 -5.02 117.38 112.33 3kiy n GLN 70 Ca 0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 57.00 54.82 3kiy n GLN 70 Cb 0.00 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.04 3kiy n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 3kiy n VAL 71 N -1.63 1.71 1.05 1.69 3.14 -1.26 -3.96 118.33 119.07 3kiy n VAL 71 Ca 0.00 -0.69 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 3kiy n VAL 71 Cb 0.00 -1.50 0.00 0.00 -1.06 0.00 0.00 33.84 31.28 3kiy n VAL 71 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3kiy n PRO 72 N -3.34 0.56 0.00 1.45 -0.02 -1.26 -4.93 135.00 127.46 3kiy n PRO 72 Ca -0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 3kiy n PRO 72 Cb 1.05 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 3kiy n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kiy n GLY 73 N 0.07 -1.78 3.78 -1.23 0.00 -1.25 -4.98 105.19 99.79 3kiy n GLY 73 Ca 0.00 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 3kiy n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kiy s GLU 74 N -0.09 2.63 -0.22 1.61 -1.05 -1.26 -4.58 118.70 115.73 3kiy s GLU 74 Ca 0.00 1.21 -0.16 0.00 -0.15 0.00 0.00 54.97 55.87 3kiy s GLU 74 Cb 0.00 -1.94 -0.04 0.00 -0.44 0.00 0.00 34.13 31.71 3kiy s GLU 74 CO 0.00 -1.36 0.41 0.42 0.95 0.00 0.00 175.26 175.68 3kiy s ILE 75 N -2.70 5.18 -0.60 1.83 1.09 -1.26 -5.00 121.20 119.74 3kiy s ILE 75 Ca 0.63 0.71 -0.26 0.00 -1.10 0.00 0.00 60.65 60.63 3kiy s ILE 75 Cb -0.18 -3.74 -0.10 0.00 -1.06 0.00 0.00 42.46 37.38 3kiy s ILE 75 CO 0.49 0.21 2.43 1.17 -0.10 0.00 0.00 174.94 179.15 3kiy n LYS 76 N 4.76 0.84 -4.12 2.79 3.00 -1.26 -4.92 118.16 119.25 3kiy n LYS 76 Ca -0.08 -0.21 -0.15 0.00 -0.00 0.00 0.00 58.31 57.87 3kiy n LYS 76 Cb 0.51 -3.35 -0.11 0.00 0.00 0.00 0.00 35.03 32.08 3kiy n LYS 76 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3kiy s ARG 77 N 8.47 0.69 -0.10 1.64 1.70 -1.26 -5.11 118.95 124.97 3kiy s ARG 77 Ca 1.00 -0.92 -0.30 0.00 -0.47 0.00 0.00 55.73 55.04 3kiy s ARG 77 Cb -0.24 -0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 33.55 3kiy s ARG 77 CO 0.24 0.10 2.09 -0.35 -1.08 0.00 0.00 175.30 176.30 3kiy n PRO 78 N 1.18 2.33 -3.61 3.89 -0.04 -1.26 -5.00 135.00 132.49 3kiy n PRO 78 Ca -0.21 0.77 -0.32 0.00 -0.04 0.00 0.00 63.50 63.70 3kiy n PRO 78 Cb 0.55 -3.06 -0.05 0.00 -0.04 0.00 0.00 33.50 30.90 3kiy n PRO 78 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3kiy s ARG 79 N 5.37 3.67 -0.13 0.54 1.70 -1.26 -5.02 118.95 123.82 3kiy s ARG 79 Ca 0.96 0.02 0.01 0.00 -0.47 0.00 0.00 55.73 56.24 3kiy s ARG 79 Cb -0.43 -2.83 -0.01 0.00 -0.57 0.00 0.00 34.95 31.12 3kiy s ARG 79 CO 0.40 0.45 -0.16 0.71 -1.08 0.00 0.00 175.30 175.62 3kiy s TYR 80 N -1.66 2.74 -0.38 5.89 2.02 -1.26 -2.61 117.35 122.09 3kiy s TYR 80 Ca 0.41 -0.83 -0.18 0.00 -0.37 0.00 0.00 57.07 56.10 3kiy s TYR 80 Cb -0.12 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 3kiy s TYR 80 CO 0.23 -0.32 0.47 -1.14 -1.57 0.00 0.00 175.55 173.22 3kiy s GLN 81 N 0.45 3.43 0.50 -0.62 2.00 0.15 -4.95 119.66 120.62 3kiy s GLN 81 Ca -0.12 -0.40 -0.21 0.00 -2.00 0.00 0.00 55.36 52.64 3kiy s GLN 81 Cb -0.16 -3.86 -0.07 0.00 0.80 0.00 0.00 33.01 29.71 3kiy s GLN 81 CO 0.05 -0.71 1.13 0.20 -0.50 0.00 0.00 175.29 175.46 3kiy s GLY 82 N 1.79 2.68 -0.29 2.59 0.00 -1.26 -1.95 107.32 110.88 3kiy s GLY 82 Ca 0.16 0.84 -0.06 0.00 0.00 0.00 0.00 44.72 45.66 3kiy s GLY 82 CO 0.14 1.23 0.61 0.54 0.00 0.00 0.00 173.10 175.62 3kiy s VAL 83 N -1.70 -0.97 0.39 1.40 0.11 -1.16 -4.87 120.40 113.59 3kiy s VAL 83 Ca 0.68 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 59.48 3kiy s VAL 83 Cb -0.25 -0.98 -0.09 0.00 -1.53 0.00 0.00 36.38 33.54 3kiy s VAL 83 CO 0.29 -0.00 1.19 0.20 -3.33 0.00 0.00 175.10 173.45 3kiy s ASN 84 N 2.86 6.55 0.00 3.54 0.02 -1.24 -1.38 114.94 125.29 3kiy s ASN 84 Ca 0.06 2.40 0.15 0.00 -1.02 0.00 0.00 52.86 54.44 3kiy s ASN 84 Cb -0.13 -2.62 0.63 0.00 0.02 0.00 0.00 41.25 39.15 3kiy s ASN 84 CO -0.19 -0.66 1.46 0.00 0.02 0.00 0.00 177.10 177.73 3kiy n LEU 85 N 0.18 0.00 -0.18 0.60 -0.00 -0.64 -1.36 117.00 115.61 3kiy n LEU 85 Ca 0.04 0.48 -0.05 0.00 -0.00 0.00 0.00 56.01 56.47 3kiy n LEU 85 Cb 0.46 -0.48 0.12 0.00 -0.00 0.00 0.00 43.42 43.52 3kiy n LEU 85 CO 0.52 -0.24 0.94 0.50 -0.00 0.00 0.00 177.39 179.11 3kiy h LYS 86 N 0.00 0.96 -0.06 1.47 3.64 -1.47 -0.94 116.57 120.17 3kiy h LYS 86 Ca 0.00 -0.23 -0.20 0.00 -1.27 0.00 0.00 60.65 58.95 3kiy h LYS 86 Cb 0.24 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3kiy h LYS 86 CO 0.00 0.88 -0.80 -0.44 -2.27 0.00 0.00 179.45 176.82 3kiy h ASP 87 N 0.92 0.55 -0.40 4.20 3.32 -1.50 -3.15 116.42 120.36 3kiy h ASP 87 Ca 0.19 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3kiy h ASP 87 Cb 0.37 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3kiy h ASP 87 CO 0.01 1.15 0.17 -0.07 -1.72 0.00 0.00 179.24 178.78 3kiy h LEU 88 N 0.29 0.59 -1.54 1.55 4.07 -1.33 -3.01 115.31 115.93 3kiy h LEU 88 Ca -0.05 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3kiy h LEU 88 Cb 1.40 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3kiy h LEU 88 CO 0.14 0.54 0.00 0.00 -1.08 0.00 0.00 178.44 178.04 3kiy n ALA 89 N -2.47 0.96 -0.10 1.53 0.00 -0.41 -2.00 120.51 118.03 3kiy n ALA 89 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 3kiy n ALA 89 Cb 0.16 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 3kiy n ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kiy n ARG 90 N 0.62 0.52 -4.01 0.00 0.63 -1.14 -5.04 116.66 108.23 3kiy n ARG 90 Ca 0.00 0.21 -0.21 0.00 -0.92 0.00 0.00 57.85 56.93 3kiy n ARG 90 Cb 0.00 -1.40 -0.03 0.00 0.45 0.00 0.00 32.46 31.49 3kiy n ARG 90 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3kiy s PHE 91 N -2.75 3.35 0.07 -0.14 -0.71 -0.85 -5.12 117.98 111.84 3kiy s PHE 91 Ca -0.30 -0.04 0.05 0.00 -1.04 0.00 0.00 56.93 55.60 3kiy s PHE 91 Cb 0.07 -1.53 -0.04 0.00 -1.21 0.00 0.00 43.02 40.32 3kiy s PHE 91 CO 0.42 0.47 -0.06 -2.00 -1.34 0.00 0.00 175.22 172.71 3kiy s GLU 92 N -3.91 2.39 0.00 1.99 2.56 -1.26 -5.02 118.70 115.45 3kiy s GLU 92 Ca 0.34 -0.87 0.00 0.00 0.00 0.00 0.00 54.97 54.44 3kiy s GLU 92 Cb -0.09 -2.44 0.00 0.00 2.00 0.00 0.00 34.13 33.60 3kiy s GLU 92 CO 0.28 0.55 0.00 0.41 -0.56 0.00 0.00 175.26 175.94 3kiy n GLY 93 N 0.94 0.21 3.17 -1.50 0.00 -1.26 -4.92 105.19 101.83 3kiy n GLY 93 Ca -0.13 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 3kiy n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kiy s GLU 94 N -0.06 2.84 0.34 1.61 2.12 -1.26 -3.82 118.70 120.47 3kiy s GLU 94 Ca 0.00 -2.44 -0.29 0.00 0.36 0.00 0.00 54.97 52.60 3kiy s GLU 94 Cb 0.00 -3.94 -0.10 0.00 0.26 0.00 0.00 34.13 30.35 3kiy s GLU 94 CO 0.00 -1.21 1.35 0.14 -0.54 0.00 0.00 175.26 175.01 3kiy s VAL 95 N 0.12 2.57 -0.12 3.70 -7.23 -0.58 -4.91 120.40 113.95 3kiy s VAL 95 Ca 0.16 0.57 -0.10 0.00 -1.81 0.00 0.00 61.98 60.80 3kiy s VAL 95 Cb -0.18 -3.36 0.04 0.00 0.56 0.00 0.00 36.38 33.44 3kiy s VAL 95 CO -0.05 0.13 0.32 0.42 -0.31 0.00 0.00 175.10 175.61 3kiy s THR 96 N -1.06 -0.01 -0.29 5.32 -4.23 -1.26 -1.13 115.64 112.98 3kiy s THR 96 Ca 0.50 0.03 -0.34 0.00 -1.18 0.00 0.00 61.69 60.70 3kiy s THR 96 Cb -0.41 -0.45 -0.11 0.00 1.34 0.00 0.00 72.50 72.86 3kiy s THR 96 CO 0.54 0.01 2.12 -2.65 -0.54 0.00 0.00 174.62 174.11 3kiy n PRO 97 N 3.27 1.36 0.00 3.99 -0.02 -1.24 0.09 135.00 142.44 3kiy n PRO 97 Ca -0.16 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3kiy n PRO 97 Cb 0.57 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3kiy n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kiy n GLU 98 N 7.88 0.00 0.12 -0.52 -0.00 -1.26 -4.87 120.64 122.00 3kiy n GLU 98 Ca 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.54 3kiy n GLU 98 Cb 0.26 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.71 3kiy n GLU 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3kiy h LEU 99 N 0.00 0.00 0.00 -1.84 6.46 -0.71 -2.81 115.31 116.41 3kiy h LEU 99 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3kiy h LEU 99 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3kiy h LEU 99 CO 0.00 0.54 -0.01 -0.07 -0.62 0.00 0.00 178.44 178.28 3kiy h LEU 100 N 0.00 0.00 -0.76 2.25 -0.00 -1.83 -3.27 115.31 111.71 3kiy h LEU 100 Ca -0.02 -0.99 0.18 0.00 -0.00 0.00 0.00 57.88 57.05 3kiy h LEU 100 Cb 1.43 -0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.96 3kiy h LEU 100 CO 0.07 0.99 0.07 -0.37 -0.00 0.00 0.00 178.44 179.20 3kiy h VAL 101 N -0.98 0.38 0.00 1.22 -1.51 -1.41 0.25 116.25 114.20 3kiy h VAL 101 Ca -0.00 -0.05 -0.12 0.00 -1.23 0.00 0.00 66.70 65.30 3kiy h VAL 101 Cb 0.99 0.22 -0.04 0.00 -2.13 0.00 0.00 31.29 30.33 3kiy h VAL 101 CO 0.00 0.03 -0.19 -1.14 -1.23 0.00 0.00 177.57 175.04 3kiy n ARG 102 N -5.29 1.47 0.00 5.19 0.63 -1.06 -4.26 116.66 113.35 3kiy n ARG 102 Ca 0.14 -0.62 0.00 0.00 -0.92 0.00 0.00 57.85 56.45 3kiy n ARG 102 Cb 0.49 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.70 3kiy n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kiy n ALA 103 N 2.31 0.00 -1.00 5.13 0.00 0.80 -4.95 120.51 122.80 3kiy n ALA 103 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3kiy n ALA 103 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 3kiy n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 104 N 0.00 -2.46 0.44 0.00 0.00 -0.66 -4.99 105.19 97.52 3kiy n GLY 104 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 3kiy n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kiy n LEU 105 N 0.00 0.00 0.00 0.99 4.32 -1.25 -4.81 117.00 116.25 3kiy n LEU 105 Ca 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 56.01 55.75 3kiy n LEU 105 Cb 0.00 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 3kiy n LEU 105 CO 0.00 -0.56 0.00 -0.11 -1.22 0.00 0.00 177.39 175.50 3kiy n LEU 106 N 0.00 0.00 -2.15 2.23 7.94 -1.26 -1.82 117.00 121.95 3kiy n LEU 106 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 3kiy n LEU 106 Cb 0.07 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.02 3kiy n LEU 106 CO 0.05 0.00 -0.24 2.29 -1.11 0.00 0.00 177.39 178.38 3kiy n LYS 107 N 0.00 -0.33 -0.10 1.96 2.85 -1.26 -1.26 118.16 120.01 3kiy n LYS 107 Ca 0.00 0.56 0.00 0.00 -1.05 0.00 0.00 58.31 57.82 3kiy n LYS 107 Cb 0.00 -0.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.79 3kiy n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3kiy n LYS 108 N 1.25 0.00 0.00 -1.58 4.01 -1.26 -4.68 118.16 115.90 3kiy n LYS 108 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3kiy n LYS 108 Cb 0.24 -2.62 0.00 0.00 -0.51 0.00 0.00 35.03 32.14 3kiy n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kiy n GLY 109 N -1.04 0.04 1.10 0.72 0.00 -0.39 -4.87 105.19 100.75 3kiy n GLY 109 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3kiy n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kiy n TYR 110 N 0.61 -2.81 0.00 1.61 9.36 -1.26 -4.25 117.16 120.41 3kiy n TYR 110 Ca 0.00 1.44 0.00 0.00 3.32 0.00 0.00 57.90 62.66 3kiy n TYR 110 Cb 0.01 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.17 3kiy n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3kiy n ARG 111 N -3.68 0.00 -3.90 2.98 1.74 -1.07 -4.03 116.66 108.69 3kiy n ARG 111 Ca -0.01 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.71 3kiy n ARG 111 Cb 0.51 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.88 3kiy n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kiy s LEU 112 N 0.00 4.23 -0.50 0.55 1.98 -1.26 0.31 118.68 123.99 3kiy s LEU 112 Ca 0.00 0.36 0.04 0.00 -2.89 0.00 0.00 54.13 51.64 3kiy s LEU 112 Cb 0.00 -2.04 0.16 0.00 0.66 0.00 0.00 46.19 44.97 3kiy s LEU 112 CO 0.00 0.34 0.36 -0.75 -1.89 0.00 0.00 176.35 174.41 3kiy s LYS 113 N -0.62 1.41 0.31 1.98 2.20 -0.82 -1.53 119.74 122.67 3kiy s LYS 113 Ca 0.12 -2.40 -0.30 0.00 -0.36 0.00 0.00 55.97 53.04 3kiy s LYS 113 Cb -0.12 -2.18 -0.12 0.00 -1.51 0.00 0.00 37.83 33.91 3kiy s LYS 113 CO 0.02 -1.30 1.48 1.51 -0.36 0.00 0.00 175.35 176.70 3kiy n ILE 114 N 2.80 1.37 -3.46 5.43 0.13 -1.06 -2.98 119.36 121.58 3kiy n ILE 114 Ca 0.22 -0.34 0.00 0.00 -1.10 0.00 0.00 62.75 61.52 3kiy n ILE 114 Cb 0.41 -1.80 0.00 0.00 -0.84 0.00 0.00 39.64 37.41 3kiy n ILE 114 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3kiy n LEU 115 N 1.58 0.00 0.00 9.51 -0.00 -0.48 -3.28 117.00 124.33 3kiy n LEU 115 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 3kiy n LEU 115 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 3kiy n LEU 115 CO 0.63 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.63 3kiy n GLY 116 N 0.00 0.09 3.83 1.47 0.00 -1.26 -1.61 105.19 107.70 3kiy n GLY 116 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 3kiy n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kiy s GLU 117 N 0.00 3.13 0.00 1.61 2.02 -1.26 -4.61 118.70 119.58 3kiy s GLU 117 Ca 0.00 0.95 0.00 0.00 0.02 0.00 0.00 54.97 55.94 3kiy s GLU 117 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.22 3kiy s GLU 117 CO 0.00 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 174.74 3kiy n GLY 118 N -1.98 2.60 3.67 -1.39 0.00 -1.26 -1.53 105.19 105.29 3kiy n GLY 118 Ca 0.07 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.43 3kiy n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kiy n GLU 119 N 1.45 1.94 -1.32 1.61 -0.58 -1.26 -4.35 120.64 118.13 3kiy n GLU 119 Ca 0.00 0.68 -0.30 0.00 -0.42 0.00 0.00 57.16 57.12 3kiy n GLU 119 Cb 0.00 -2.26 0.11 0.00 -0.57 0.00 0.00 31.44 28.72 3kiy n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kiy s ALA 120 N -0.66 1.89 -0.04 0.62 0.00 -1.26 -4.74 121.76 117.57 3kiy s ALA 120 Ca 0.61 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.54 3kiy s ALA 120 Cb -0.63 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.33 3kiy s ALA 120 CO 0.57 -2.05 -0.05 0.15 0.00 0.00 0.00 175.76 174.38 3kiy s LYS 121 N -4.99 0.86 -0.52 0.00 1.02 -1.26 -5.03 119.74 109.81 3kiy s LYS 121 Ca 0.62 -0.12 -0.32 0.00 0.02 0.00 0.00 55.97 56.17 3kiy s LYS 121 Cb -0.17 -0.85 -0.13 0.00 -0.52 0.00 0.00 37.83 36.17 3kiy s LYS 121 CO 0.56 -0.07 2.35 -2.30 -0.92 0.00 0.00 175.35 174.97 3kiy n PRO 122 N 4.01 0.84 0.00 -1.68 -0.02 -1.13 -4.82 135.00 132.20 3kiy n PRO 122 Ca -0.25 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3kiy n PRO 122 Cb 0.51 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3kiy n PRO 122 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3kiy n LEU 123 N 11.52 0.00 -4.74 2.45 -0.00 -1.26 -4.90 117.00 120.07 3kiy n LEU 123 Ca 0.45 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 56.06 3kiy n LEU 123 Cb 0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.64 3kiy n LEU 123 CO 0.79 0.00 0.73 -0.54 -0.00 0.00 0.00 177.39 178.36 3kiy s LYS 124 N -2.00 4.68 -0.30 1.47 -0.14 -1.25 -2.18 119.74 120.02 3kiy s LYS 124 Ca 0.00 1.60 -0.03 0.00 -1.36 0.00 0.00 55.97 56.18 3kiy s LYS 124 Cb 0.00 -3.30 0.10 0.00 -1.68 0.00 0.00 37.83 32.95 3kiy s LYS 124 CO 0.00 0.21 0.12 0.54 -0.76 0.00 0.00 175.35 175.47 3kiy s VAL 125 N -0.42 0.28 0.29 3.17 0.11 -1.26 -1.53 120.40 121.03 3kiy s VAL 125 Ca 0.47 -1.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.19 3kiy s VAL 125 Cb -0.27 -1.23 -0.10 0.00 -1.53 0.00 0.00 36.38 33.25 3kiy s VAL 125 CO 0.33 -0.73 1.13 -0.69 -3.33 0.00 0.00 175.10 171.81 3kiy s VAL 126 N 1.87 3.38 0.35 2.04 1.01 -0.28 -3.54 120.40 125.23 3kiy s VAL 126 Ca 0.10 1.39 -0.09 0.00 0.00 0.00 0.00 61.98 63.37 3kiy s VAL 126 Cb -0.17 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.37 3kiy s VAL 126 CO -0.31 0.33 0.63 0.00 0.00 0.00 0.00 175.10 175.75 3kiy n ALA 127 N 1.12 -1.13 0.23 5.51 0.00 0.16 -3.68 120.51 122.72 3kiy n ALA 127 Ca -0.01 -1.32 0.07 0.00 0.00 0.00 0.00 53.44 52.18 3kiy n ALA 127 Cb 0.44 1.06 -0.10 0.00 0.00 0.00 0.00 19.45 20.85 3kiy n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kiy n HIS 128 N -0.52 0.00 -3.65 0.00 8.25 -0.58 -4.15 115.22 114.58 3kiy n HIS 128 Ca -0.05 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.37 3kiy n HIS 128 Cb 0.55 -0.20 -0.07 0.00 1.12 0.00 0.00 29.99 31.39 3kiy n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kiy s ALA 129 N -2.71 -2.18 0.19 -1.41 0.00 -1.12 -4.55 121.76 109.98 3kiy s ALA 129 Ca -0.01 1.75 0.11 0.00 0.00 0.00 0.00 51.96 53.81 3kiy s ALA 129 Cb 0.09 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 3kiy s ALA 129 CO 0.57 -0.15 -0.23 -0.06 0.00 0.00 0.00 175.76 175.89 3kiy s PHE 130 N 0.14 2.32 0.44 0.00 2.99 -1.26 -2.57 117.98 120.04 3kiy s PHE 130 Ca 0.05 -0.35 -0.10 0.00 0.00 0.00 0.00 56.93 56.54 3kiy s PHE 130 Cb -0.05 -1.14 -0.06 0.00 0.00 0.00 0.00 43.02 41.77 3kiy s PHE 130 CO -0.13 0.50 0.80 -1.54 -0.00 0.00 0.00 175.22 174.86 3kiy s SER 131 N -2.69 6.45 0.56 1.36 1.04 -1.20 -4.85 113.70 114.35 3kiy s SER 131 Ca 0.21 1.13 0.27 0.00 0.48 0.00 0.00 55.95 58.04 3kiy s SER 131 Cb -0.08 -2.33 1.47 0.00 0.10 0.00 0.00 66.02 65.18 3kiy s SER 131 CO 0.10 -0.48 1.98 0.11 0.98 0.00 0.00 173.24 175.93 3kiy h LYS 132 N 0.89 0.00 0.07 4.02 1.57 -2.00 0.63 116.57 121.75 3kiy h LYS 132 Ca -0.47 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.04 3kiy h LYS 132 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3kiy h LYS 132 CO 0.63 0.00 -1.36 1.03 -0.57 0.00 0.00 179.45 179.18 3kiy h SER 133 N 0.00 0.23 -0.05 0.86 0.87 -1.97 -3.25 113.55 110.24 3kiy h SER 133 Ca 0.23 -0.29 -0.20 0.00 -1.23 0.00 0.00 61.79 60.29 3kiy h SER 133 Cb 1.01 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.91 3kiy h SER 133 CO -0.00 1.24 -0.75 0.00 -0.53 0.00 0.00 176.83 176.79 3kiy h ALA 134 N 0.73 0.16 -0.80 6.23 0.00 -1.40 -2.17 119.26 122.01 3kiy h ALA 134 Ca -0.17 -0.60 0.14 0.00 0.00 0.00 0.00 54.91 54.29 3kiy h ALA 134 Cb 1.94 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.66 3kiy h ALA 134 CO 0.15 0.52 0.37 1.25 0.00 0.00 0.00 179.25 181.53 3kiy h LEU 135 N 0.21 0.40 0.02 0.00 7.12 -1.08 -0.92 115.31 121.07 3kiy h LEU 135 Ca -0.08 0.10 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 3kiy h LEU 135 Cb 1.42 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.59 3kiy h LEU 135 CO 0.15 0.16 -0.01 -0.33 -0.13 0.00 0.00 178.44 178.28 3kiy h GLU 136 N 0.53 -0.03 -0.91 1.25 5.08 -1.57 0.21 114.58 119.14 3kiy h GLU 136 Ca 0.44 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.84 3kiy h GLU 136 Cb 0.64 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 3kiy h GLU 136 CO -0.38 0.32 0.60 0.87 -1.00 0.00 0.00 179.01 179.42 3kiy h LYS 137 N -0.38 1.08 0.13 2.33 1.57 -0.92 -2.45 116.57 117.93 3kiy h LYS 137 Ca -0.00 -0.06 -0.28 0.00 -1.87 0.00 0.00 60.65 58.44 3kiy h LYS 137 Cb 0.36 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.44 3kiy h LYS 137 CO 0.01 0.71 -1.24 1.25 -0.57 0.00 0.00 179.45 179.61 3kiy h LEU 138 N 1.11 0.49 -1.95 2.94 5.85 -1.21 -3.20 115.31 119.34 3kiy h LEU 138 Ca 0.37 -0.51 0.33 0.00 0.84 0.00 0.00 57.88 58.92 3kiy h LEU 138 Cb 0.07 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3kiy h LEU 138 CO -0.12 1.38 0.87 0.50 -0.34 0.00 0.00 178.44 180.73 3kiy h LYS 139 N 0.10 0.00 -4.27 1.25 3.64 -0.45 -2.76 116.57 114.09 3kiy h LYS 139 Ca -0.14 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.55 3kiy h LYS 139 Cb 1.95 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.76 3kiy h LYS 139 CO 0.21 0.00 2.81 0.00 -2.27 0.00 0.00 179.45 180.20 3kiy n ALA 140 N -2.72 4.73 -1.33 5.00 0.00 -1.19 -4.36 120.51 120.64 3kiy n ALA 140 Ca 0.25 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.99 3kiy n ALA 140 Cb 1.25 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3kiy n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kiy n ALA 141 N 6.79 -2.65 0.00 0.00 0.00 -1.05 -4.82 120.51 118.78 3kiy n ALA 141 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3kiy n ALA 141 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3kiy n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kiy n GLY 142 N -0.33 -0.58 3.85 0.00 0.00 -1.13 -2.86 105.19 104.14 3kiy n GLY 142 Ca 0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 3kiy n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kiy s GLY 143 N 0.00 2.46 -0.16 -0.02 0.00 -0.93 -4.83 107.32 103.85 3kiy s GLY 143 Ca 0.00 -1.30 0.23 0.00 0.00 0.00 0.00 44.72 43.65 3kiy s GLY 143 CO 0.00 -1.96 1.15 -2.21 0.00 0.00 0.00 173.10 170.08 3kiy n GLU 144 N -1.57 1.03 -1.57 2.90 2.13 -1.26 -4.66 120.64 117.65 3kiy n GLU 144 Ca -0.04 -2.77 -0.39 0.00 0.66 0.00 0.00 57.16 54.61 3kiy n GLU 144 Cb 0.65 -0.86 -0.03 0.00 0.27 0.00 0.00 31.44 31.46 3kiy n GLU 144 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3kiy n PRO 145 N -0.23 1.40 0.00 5.31 -0.02 -1.23 -4.81 135.00 135.42 3kiy n PRO 145 Ca 0.04 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3kiy n PRO 145 Cb 0.93 -3.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 3kiy n PRO 145 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3kiy n VAL 146 N 7.91 0.00 0.00 -1.45 3.14 -1.26 0.38 118.33 127.04 3kiy n VAL 146 Ca 0.34 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.72 3kiy n VAL 146 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 3kiy n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3kiy n LEU 147 N 0.00 0.00 -1.38 6.55 7.94 -1.26 -4.76 117.00 124.10 3kiy n LEU 147 Ca 0.00 0.00 0.17 0.00 -1.11 0.00 0.00 56.01 55.07 3kiy n LEU 147 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3kiy n LEU 147 CO 0.00 0.00 -0.49 0.18 -1.11 0.00 0.00 177.39 175.97 3kiy n LEU 148 N 0.00 -0.86 -0.09 -1.96 4.77 -1.26 -4.76 117.00 112.83 3kiy n LEU 148 Ca 0.00 2.00 0.00 0.00 -0.03 0.00 0.00 56.01 57.98 3kiy n LEU 148 Cb 0.00 -3.85 0.00 0.00 -2.33 0.00 0.00 43.42 37.24 3kiy n LEU 148 CO 0.00 -2.44 0.00 -0.62 -1.33 0.00 0.00 177.39 173.00 3kiy n GLU 149 N -4.17 0.00 0.00 3.23 -0.58 -1.26 -5.09 120.64 112.77 3kiy n GLU 149 Ca -0.06 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3kiy n GLU 149 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 3kiy n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65