#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzi s GLU 28 N 0.00 0.84 -1.06 0.00 -1.05 -1.26 -5.08 118.70 111.09 3kzi s GLU 28 Ca 0.00 -0.95 -0.22 0.00 -0.15 0.00 0.00 54.97 53.65 3kzi s GLU 28 Cb 0.00 0.34 0.04 0.00 -0.44 0.00 0.00 34.13 34.07 3kzi s GLU 28 CO 0.00 -0.26 1.54 -1.17 0.95 0.00 0.00 175.26 176.32 3kzi s LEU 29 N -2.83 3.53 0.76 1.83 2.96 -1.26 -4.96 118.68 118.71 3kzi s LEU 29 Ca 0.05 -1.57 -0.09 0.00 -0.22 0.00 0.00 54.13 52.30 3kzi s LEU 29 Cb 0.05 -2.57 0.08 0.00 0.50 0.00 0.00 46.19 44.24 3kzi s LEU 29 CO -0.11 -1.56 1.10 0.42 -1.32 0.00 0.00 176.35 174.88 3kzi s THR 30 N 5.30 2.13 0.41 3.68 -4.23 -1.26 -4.94 115.64 116.74 3kzi s THR 30 Ca 0.49 -0.14 0.11 0.00 -1.18 0.00 0.00 61.69 60.97 3kzi s THR 30 Cb 0.00 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 71.16 3kzi s THR 30 CO -0.06 0.00 1.99 1.55 -0.54 0.00 0.00 174.62 177.56 3kzi h PRO 31 N -0.85 0.50 -0.26 3.99 0.13 -1.93 -1.82 132.00 131.75 3kzi h PRO 31 Ca -0.45 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 64.71 3kzi h PRO 31 Cb 1.32 -0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 3kzi h PRO 31 CO 0.62 0.33 -0.21 1.49 -0.23 0.00 0.00 178.00 179.99 3kzi h GLU 32 N 0.52 -0.20 0.00 0.86 4.81 -1.94 0.43 114.58 119.06 3kzi h GLU 32 Ca 0.26 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3kzi h GLU 32 Cb 0.37 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 3kzi h GLU 32 CO -0.08 -0.13 -0.00 0.28 -0.73 0.00 0.00 179.01 178.35 3kzi h VAL 33 N -0.21 0.00 0.00 0.32 2.07 -1.70 -0.82 116.25 115.92 3kzi h VAL 33 Ca 0.14 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3kzi h VAL 33 Cb 0.43 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3kzi h VAL 33 CO -0.38 0.00 -0.94 0.18 0.02 0.00 0.00 177.57 176.45 3kzi n LEU 34 N -3.08 0.81 -4.60 2.57 4.77 0.13 -4.79 117.00 112.80 3kzi n LEU 34 Ca -0.03 0.28 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 3kzi n LEU 34 Cb 0.09 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3kzi n LEU 34 CO 0.21 -0.15 1.01 -0.89 -1.33 0.00 0.00 177.39 176.24 3kzi s THR 35 N -3.32 4.21 0.08 -5.08 2.01 0.03 -2.89 115.64 110.68 3kzi s THR 35 Ca 0.01 1.16 0.07 0.00 0.31 0.00 0.00 61.69 63.25 3kzi s THR 35 Cb 0.11 -4.60 -0.03 0.00 0.01 0.00 0.00 72.50 67.98 3kzi s THR 35 CO 0.78 -1.03 -0.19 0.68 -0.69 0.00 0.00 174.62 174.17 3kzi s VAL 36 N 4.45 1.58 -0.08 3.82 -7.23 -0.94 -4.98 120.40 117.03 3kzi s VAL 36 Ca 0.47 -1.40 -0.35 0.00 -1.81 0.00 0.00 61.98 58.89 3kzi s VAL 36 Cb -0.07 -1.43 -0.13 0.00 0.56 0.00 0.00 36.38 35.31 3kzi s VAL 36 CO 0.31 -0.02 1.78 -0.81 -0.31 0.00 0.00 175.10 176.05 3kzi n PRO 37 N 1.33 1.93 -0.02 4.82 -0.04 -1.26 -2.09 135.00 139.67 3kzi n PRO 37 Ca -0.19 0.71 -0.16 0.00 -0.04 0.00 0.00 63.50 63.81 3kzi n PRO 37 Cb 0.54 -2.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.36 3kzi n PRO 37 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3kzi h LEU 38 N 8.08 0.19 0.00 1.53 5.85 -1.43 -2.19 115.31 127.34 3kzi h LEU 38 Ca -0.48 -0.98 -0.48 0.00 0.84 0.00 0.00 57.88 56.78 3kzi h LEU 38 Cb 1.28 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.13 3kzi h LEU 38 CO 0.93 1.16 -0.44 -0.46 -0.34 0.00 0.00 178.44 179.28 3kzi n ASN 39 N -4.42 -0.03 0.06 1.25 0.23 -1.12 -1.13 115.26 110.10 3kzi n ASN 39 Ca -0.12 -3.08 -0.01 0.00 -0.53 0.00 0.00 54.58 50.84 3kzi n ASN 39 Cb 0.62 1.39 0.26 0.00 -2.08 0.00 0.00 39.78 39.97 3kzi n ASN 39 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3kzi h SER 40 N 1.81 0.35 -0.02 0.53 0.02 -1.95 -3.27 113.55 111.03 3kzi h SER 40 Ca -0.25 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 3kzi h SER 40 Cb 1.15 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 3kzi h SER 40 CO 0.38 0.60 0.01 -0.62 -1.14 0.00 0.00 176.83 176.06 3kzi n GLU 41 N -4.15 1.03 0.00 3.45 4.71 -1.26 -4.84 120.64 119.58 3kzi n GLU 41 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 3kzi n GLU 41 Cb 0.38 -1.02 0.00 0.00 -1.01 0.00 0.00 31.44 29.79 3kzi n GLU 41 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kzi n GLY 42 N 1.42 1.46 3.63 0.62 0.00 -1.23 -4.96 105.19 106.14 3kzi n GLY 42 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 3kzi n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kzi n LYS 43 N -0.35 1.68 -4.41 1.61 4.81 -1.26 -4.78 118.16 115.45 3kzi n LYS 43 Ca 0.00 0.59 -0.26 0.00 -0.87 0.00 0.00 58.31 57.77 3kzi n LYS 43 Cb 0.00 -2.10 -0.09 0.00 0.02 0.00 0.00 35.03 32.85 3kzi n LYS 43 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3kzi s THR 44 N -0.67 2.28 0.08 3.15 -4.23 -1.26 -1.19 115.64 113.79 3kzi s THR 44 Ca 0.63 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.23 3kzi s THR 44 Cb -0.68 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 3kzi s THR 44 CO 0.57 -0.08 -0.09 -0.51 -0.54 0.00 0.00 174.62 173.97 3kzi s ILE 45 N -2.62 0.79 -0.21 2.99 2.07 -0.89 -4.69 121.20 118.64 3kzi s ILE 45 Ca 0.36 -1.49 0.02 0.00 -1.41 0.00 0.00 60.65 58.13 3kzi s ILE 45 Cb 0.05 -1.16 0.03 0.00 0.13 0.00 0.00 42.46 41.51 3kzi s ILE 45 CO 0.19 -0.53 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.63 3kzi s THR 46 N -2.23 2.08 0.83 4.00 2.01 -1.26 -2.20 115.64 118.86 3kzi s THR 46 Ca 0.01 -1.18 -0.12 0.00 0.31 0.00 0.00 61.69 60.71 3kzi s THR 46 Cb -0.04 -1.99 0.09 0.00 0.01 0.00 0.00 72.50 70.56 3kzi s THR 46 CO -0.01 0.33 1.15 -0.76 -0.69 0.00 0.00 174.62 174.65 3kzi s LEU 47 N 1.23 2.41 0.15 4.42 1.43 -1.14 -4.95 118.68 122.22 3kzi s LEU 47 Ca 0.00 0.91 0.11 0.00 -1.03 0.00 0.00 54.13 54.12 3kzi s LEU 47 Cb -0.15 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3kzi s LEU 47 CO -0.10 -2.04 -0.26 0.42 0.23 0.00 0.00 176.35 174.60 3kzi s THR 48 N -3.43 2.26 0.65 5.49 -4.23 -1.26 -4.81 115.64 110.30 3kzi s THR 48 Ca 0.62 -1.83 0.17 0.00 -1.18 0.00 0.00 61.69 59.47 3kzi s THR 48 Cb -0.12 -2.01 0.20 0.00 1.34 0.00 0.00 72.50 71.91 3kzi s THR 48 CO 0.51 0.02 1.47 -0.08 -0.54 0.00 0.00 174.62 175.99 3kzi h GLU 49 N 3.69 0.00 0.04 3.99 4.81 -1.97 0.17 114.58 125.30 3kzi h GLU 49 Ca -0.49 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.63 3kzi h GLU 49 Cb 1.18 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.57 3kzi h GLU 49 CO 0.42 0.00 -0.44 0.87 -0.73 0.00 0.00 179.01 179.13 3kzi h LYS 50 N 0.00 0.24 -0.05 1.92 1.79 -1.99 -2.91 116.57 115.56 3kzi h LYS 50 Ca 0.09 -0.30 -0.00 0.00 -2.18 0.00 0.00 60.65 58.26 3kzi h LYS 50 Cb 1.57 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 32.32 3kzi h LYS 50 CO -0.00 1.06 0.02 1.96 -1.08 0.00 0.00 179.45 181.41 3kzi h GLN 51 N -0.44 0.07 0.00 3.15 4.20 -1.10 -0.66 115.11 120.32 3kzi h GLN 51 Ca -0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3kzi h GLN 51 Cb 1.24 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.01 3kzi h GLN 51 CO 0.09 0.18 0.00 0.98 -0.67 0.00 0.00 178.83 179.41 3kzi n TYR 52 N -4.98 0.00 -0.30 2.96 9.36 -0.69 0.12 117.16 123.63 3kzi n TYR 52 Ca -0.07 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.28 3kzi n TYR 52 Cb 0.10 -0.45 0.28 0.00 -0.63 0.00 0.00 39.34 38.63 3kzi n TYR 52 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3kzi h LEU 53 N 0.00 -0.07 -0.69 2.98 3.38 -1.52 0.35 115.31 119.73 3kzi h LEU 53 Ca 0.00 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3kzi h LEU 53 Cb 0.00 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3kzi h LEU 53 CO 0.00 -0.18 0.40 -0.08 0.09 0.00 0.00 178.44 178.67 3kzi h GLU 54 N 0.18 0.95 0.34 1.13 4.57 -0.17 -0.18 114.58 121.41 3kzi h GLU 54 Ca 0.54 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.60 3kzi h GLU 54 Cb 1.08 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 3kzi h GLU 54 CO -0.68 0.70 -0.16 0.78 -1.18 0.00 0.00 179.01 178.47 3kzi h GLY 55 N 0.95 -0.48 -0.44 1.92 0.00 0.46 -0.76 103.07 104.72 3kzi h GLY 55 Ca 0.25 0.18 0.31 0.00 0.00 0.00 0.00 47.33 48.06 3kzi h GLY 55 CO -0.04 -0.17 0.62 1.70 0.00 0.00 0.00 176.54 178.64 3kzi h LYS 56 N -0.63 0.36 -0.17 4.80 3.64 -0.49 1.21 116.57 125.29 3kzi h LYS 56 Ca -0.05 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 3kzi h LYS 56 Cb 0.45 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3kzi h LYS 56 CO 0.08 0.24 -0.42 -0.09 -2.27 0.00 0.00 179.45 176.99 3kzi h ARG 57 N 0.37 0.57 -0.40 1.90 2.43 -0.65 -2.62 114.38 115.98 3kzi h ARG 57 Ca 0.70 -0.40 -0.12 0.00 -0.81 0.00 0.00 59.98 59.36 3kzi h ARG 57 Cb 1.64 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.23 3kzi h ARG 57 CO -0.52 1.01 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.66 3kzi h LEU 58 N 0.23 0.82 -1.60 3.80 3.38 0.12 -0.90 115.31 121.15 3kzi h LEU 58 Ca -0.00 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3kzi h LEU 58 Cb 1.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3kzi h LEU 58 CO 0.09 1.01 0.05 0.15 0.09 0.00 0.00 178.44 179.83 3kzi h PHE 59 N 0.70 0.30 -0.00 1.13 3.57 0.13 -0.68 116.94 122.08 3kzi h PHE 59 Ca 0.10 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.40 3kzi h PHE 59 Cb 0.75 -0.10 0.02 0.00 2.79 0.00 0.00 35.95 39.40 3kzi h PHE 59 CO 0.04 0.28 -0.73 1.96 -2.23 0.00 0.00 178.31 177.62 3kzi h GLN 60 N 0.31 0.50 -0.78 1.11 4.20 -1.06 0.06 115.11 119.45 3kzi h GLN 60 Ca 0.08 -0.54 0.04 0.00 0.06 0.00 0.00 58.65 58.29 3kzi h GLN 60 Cb 0.13 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3kzi h GLN 60 CO -0.00 1.17 0.51 -0.92 -0.67 0.00 0.00 178.83 178.92 3kzi h TYR 61 N 0.05 0.90 0.00 2.96 3.20 -0.28 -3.32 116.97 120.47 3kzi h TYR 61 Ca -0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3kzi h TYR 61 Cb 1.43 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3kzi h TYR 61 CO 0.13 0.51 -0.01 0.00 -1.64 0.00 0.00 178.16 177.15 3kzi n ALA 62 N -2.42 1.59 0.08 1.82 0.00 -0.35 -4.95 120.51 116.28 3kzi n ALA 62 Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3kzi n ALA 62 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3kzi n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kzi n ALA 64 N -3.20 0.47 -0.26 0.00 0.00 -0.34 0.14 120.51 117.31 3kzi n ALA 64 Ca 0.00 0.64 0.16 0.00 0.00 0.00 0.00 53.44 54.24 3kzi n ALA 64 Cb 0.06 -0.55 0.31 0.00 0.00 0.00 0.00 19.45 19.26 3kzi n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kzi n SER 65 N -4.59 0.04 0.00 0.00 2.88 -1.26 -1.54 113.62 109.15 3kzi n SER 65 Ca 0.19 1.31 0.00 0.00 -1.33 0.00 0.00 58.87 59.04 3kzi n SER 65 Cb 0.63 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 3kzi n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kzi n HIS 67 N -1.29 1.13 -1.64 0.00 8.25 0.26 -1.36 115.22 120.57 3kzi n HIS 67 Ca 0.00 -0.90 -0.57 0.00 -0.26 0.00 0.00 57.72 55.99 3kzi n HIS 67 Cb 0.06 -0.36 -0.07 0.00 1.12 0.00 0.00 29.99 30.74 3kzi n HIS 67 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3kzi n VAL 68 N -0.40 0.10 -2.19 1.59 3.14 -0.59 -1.20 118.33 118.78 3kzi n VAL 68 Ca 0.23 -0.02 -0.16 0.00 -2.96 0.00 0.00 64.34 61.43 3kzi n VAL 68 Cb 0.95 -0.79 -0.02 0.00 -1.06 0.00 0.00 33.84 32.92 3kzi n VAL 68 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kzi n GLY 69 N 3.09 -0.04 3.10 7.55 0.00 -1.26 -3.34 105.19 114.28 3kzi n GLY 69 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kzi n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kzi n GLY 70 N -1.02 1.01 0.00 -0.02 0.00 -0.34 -4.40 105.19 100.43 3kzi n GLY 70 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3kzi n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kzi n ILE 71 N -2.00 0.00 -3.39 -0.61 -5.35 -1.21 -1.11 119.36 105.69 3kzi n ILE 71 Ca 0.00 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.30 3kzi n ILE 71 Cb 0.00 -1.22 -0.09 0.00 -1.74 0.00 0.00 39.64 36.59 3kzi n ILE 71 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3kzi s THR 72 N 0.83 -0.33 0.28 7.28 2.01 -1.26 -4.24 115.64 120.22 3kzi s THR 72 Ca 0.00 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.22 3kzi s THR 72 Cb 0.00 -0.87 0.26 0.00 0.01 0.00 0.00 72.50 71.91 3kzi s THR 72 CO 0.00 -0.56 1.76 0.11 -0.69 0.00 0.00 174.62 175.24 3kzi h LYS 73 N 7.68 0.62 -0.93 4.92 1.57 -1.59 -0.58 116.57 128.26 3kzi h LYS 73 Ca -0.04 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 3kzi h LYS 73 Cb 1.06 -0.14 -0.09 0.00 0.08 0.00 0.00 32.23 33.14 3kzi h LYS 73 CO 0.28 0.41 0.19 0.25 -0.57 0.00 0.00 179.45 180.01 3kzi n THR 74 N -4.86 1.76 0.00 -0.16 -2.24 -1.26 -4.38 114.28 103.13 3kzi n THR 74 Ca 0.19 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3kzi n THR 74 Cb 0.50 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 3kzi n THR 74 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3kzi n ASN 75 N -0.06 0.00 0.00 3.42 2.85 -0.64 -5.04 115.26 115.78 3kzi n ASN 75 Ca 0.22 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 3kzi n ASN 75 Cb 0.92 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.94 3kzi n ASN 75 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3kzi n PRO 76 N 0.00 0.00 0.21 1.20 -0.02 -0.32 -2.87 135.00 133.21 3kzi n PRO 76 Ca 0.00 0.27 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3kzi n PRO 76 Cb 0.00 -1.56 0.25 0.00 -0.02 0.00 0.00 33.50 32.17 3kzi n PRO 76 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3kzi h SER 77 N 0.00 0.00 -3.25 2.55 0.02 -1.97 -3.43 113.55 107.47 3kzi h SER 77 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 3kzi h SER 77 Cb 0.12 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 62.31 3kzi h SER 77 CO 0.00 0.12 -0.83 -0.76 -1.14 0.00 0.00 176.83 174.22 3kzi s LEU 78 N -6.31 2.49 0.00 5.07 1.43 -1.14 -5.12 118.68 115.10 3kzi s LEU 78 Ca 0.05 -0.75 0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3kzi s LEU 78 Cb 0.07 -1.53 0.04 0.00 0.03 0.00 0.00 46.19 44.80 3kzi s LEU 78 CO 0.66 -0.04 0.36 -0.90 0.23 0.00 0.00 176.35 176.66 3kzi n ASP 79 N 4.61 2.50 -1.44 2.29 5.68 -1.26 -4.22 116.55 124.72 3kzi n ASP 79 Ca -0.19 -2.62 0.11 0.00 -0.50 0.00 0.00 54.79 51.58 3kzi n ASP 79 Cb 0.49 -0.04 0.34 0.00 -1.14 0.00 0.00 41.12 40.76 3kzi n ASP 79 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kzi n LEU 80 N 0.00 4.21 -4.67 -2.12 4.77 -0.26 -4.65 117.00 114.28 3kzi n LEU 80 Ca -0.02 -2.11 -0.44 0.00 -0.03 0.00 0.00 56.01 53.41 3kzi n LEU 80 Cb 0.54 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3kzi n LEU 80 CO 0.32 0.92 0.90 0.54 -1.33 0.00 0.00 177.39 178.74 3kzi n ARG 81 N 1.47 1.94 -0.30 3.23 1.74 -1.26 -4.80 116.66 118.68 3kzi n ARG 81 Ca 0.25 0.68 0.07 0.00 -0.77 0.00 0.00 57.85 58.08 3kzi n ARG 81 Cb 0.71 -2.27 0.22 0.00 -1.02 0.00 0.00 32.46 30.10 3kzi n ARG 81 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3kzi h THR 82 N 2.70 0.76 -0.71 0.55 2.02 -1.93 -1.09 112.91 115.21 3kzi h THR 82 Ca -0.45 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 3kzi h THR 82 Cb 1.29 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3kzi h THR 82 CO 0.69 0.12 0.41 -0.33 0.37 0.00 0.00 175.52 176.78 3kzi h GLU 83 N 0.66 0.98 -0.56 6.66 3.07 -1.99 0.12 114.58 123.52 3kzi h GLU 83 Ca 0.46 -0.10 0.03 0.00 -0.50 0.00 0.00 59.36 59.25 3kzi h GLU 83 Cb 0.61 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 3kzi h GLU 83 CO -0.34 0.71 0.32 1.15 -1.40 0.00 0.00 179.01 179.45 3kzi h THR 84 N 0.97 1.03 0.00 1.13 2.02 -1.57 -0.04 112.91 116.46 3kzi h THR 84 Ca 0.25 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 3kzi h THR 84 Cb -0.00 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3kzi h THR 84 CO -0.04 0.12 -0.08 -0.07 0.37 0.00 0.00 175.52 175.81 3kzi h LEU 85 N 0.64 0.00 -0.14 2.58 3.38 -0.63 -2.71 115.31 118.43 3kzi h LEU 85 Ca 0.23 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 3kzi h LEU 85 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kzi h LEU 85 CO -0.12 0.08 -0.51 0.00 0.09 0.00 0.00 178.44 177.99 3kzi h ALA 86 N 1.92 0.24 -0.06 1.53 0.00 0.11 -1.52 119.26 121.48 3kzi h ALA 86 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kzi h ALA 86 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kzi h ALA 86 CO 0.01 0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.97 3kzi n LEU 87 N -4.20 0.68 -4.53 0.00 4.32 -0.73 -4.70 117.00 107.84 3kzi n LEU 87 Ca -0.07 -0.28 -0.30 0.00 -0.02 0.00 0.00 56.01 55.34 3kzi n LEU 87 Cb 0.60 -0.04 0.24 0.00 -1.62 0.00 0.00 43.42 42.60 3kzi n LEU 87 CO 0.47 0.14 0.56 0.00 -1.22 0.00 0.00 177.39 177.34 3kzi s ALA 88 N -1.93 0.21 -0.20 -1.18 0.00 -1.04 -5.00 121.76 112.62 3kzi s ALA 88 Ca 0.32 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 3kzi s ALA 88 Cb 0.16 -2.99 0.09 0.00 0.00 0.00 0.00 23.12 20.38 3kzi s ALA 88 CO 0.25 -3.71 0.22 0.99 0.00 0.00 0.00 175.76 173.51 3kzi s THR 89 N -2.77 -0.32 1.10 0.00 2.01 -0.58 -3.77 115.64 111.30 3kzi s THR 89 Ca 0.69 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.42 3kzi s THR 89 Cb -0.14 -0.68 0.24 0.00 0.01 0.00 0.00 72.50 71.92 3kzi s THR 89 CO 0.58 -0.21 1.09 -2.16 -0.69 0.00 0.00 174.62 173.23 3kzi s PRO 90 N 2.32 -0.37 0.20 4.92 0.04 -1.26 -1.89 135.00 138.96 3kzi s PRO 90 Ca 0.07 0.29 -0.32 0.00 0.04 0.00 0.00 61.00 61.08 3kzi s PRO 90 Cb -0.16 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.60 3kzi s PRO 90 CO -0.12 -3.22 1.74 -2.30 0.04 0.00 0.00 177.00 173.14 3kzi n PRO 91 N -4.48 2.80 -0.46 0.56 -0.02 -1.25 -4.89 135.00 127.26 3kzi n PRO 91 Ca 0.08 1.01 0.06 0.00 -2.02 0.00 0.00 63.50 62.63 3kzi n PRO 91 Cb 0.58 -2.86 0.19 0.00 -0.02 0.00 0.00 33.50 31.39 3kzi n PRO 91 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kzi n ARG 92 N 4.13 1.56 -1.73 -0.52 3.00 -0.58 -4.54 116.66 117.98 3kzi n ARG 92 Ca 0.16 -3.07 -0.34 0.00 -0.01 0.00 0.00 57.85 54.59 3kzi n ARG 92 Cb 0.35 -1.61 0.05 0.00 0.00 0.00 0.00 32.46 31.25 3kzi n ARG 92 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3kzi n ASP 93 N -1.20 6.96 -3.50 0.55 5.75 -1.20 -4.03 116.55 119.88 3kzi n ASP 93 Ca 0.19 -3.79 -0.11 0.00 -0.01 0.00 0.00 54.79 51.07 3kzi n ASP 93 Cb 0.71 -0.86 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 3kzi n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3kzi s ASN 94 N -2.02 -0.45 0.21 -1.12 2.20 -1.26 -4.82 114.94 107.67 3kzi s ASN 94 Ca 0.57 0.18 -0.17 0.00 -0.94 0.00 0.00 52.86 52.50 3kzi s ASN 94 Cb 0.46 0.44 0.20 0.00 -2.00 0.00 0.00 41.25 40.35 3kzi s ASN 94 CO -0.15 -0.65 1.60 0.40 -2.94 0.00 0.00 177.10 175.36 3kzi h ILE 95 N 2.24 0.21 -0.43 0.54 1.08 -1.31 -0.53 117.51 119.31 3kzi h ILE 95 Ca -0.25 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.31 3kzi h ILE 95 Cb 1.23 0.21 -0.07 0.00 -3.07 0.00 0.00 36.82 35.11 3kzi h ILE 95 CO 0.34 0.00 -0.04 -0.33 -0.69 0.00 0.00 178.15 177.43 3kzi h GLU 96 N -0.09 0.06 0.01 2.37 4.39 -1.42 -1.60 114.58 118.31 3kzi h GLU 96 Ca 0.29 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 3kzi h GLU 96 Cb 0.54 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3kzi h GLU 96 CO -0.72 0.04 -0.01 0.78 -1.16 0.00 0.00 179.01 177.94 3kzi h GLY 97 N 0.07 -0.53 -0.44 -3.84 0.00 -1.35 -1.40 103.07 95.57 3kzi h GLY 97 Ca 0.21 0.23 0.30 0.00 0.00 0.00 0.00 47.33 48.07 3kzi h GLY 97 CO -0.39 -0.20 0.53 1.41 0.00 0.00 0.00 176.54 177.89 3kzi h LEU 98 N -0.02 0.48 0.11 3.11 3.38 -1.40 0.61 115.31 121.57 3kzi h LEU 98 Ca -0.00 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3kzi h LEU 98 Cb 0.02 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kzi h LEU 98 CO 0.00 -0.09 -0.05 0.58 0.09 0.00 0.00 178.44 178.96 3kzi h VAL 99 N 0.36 0.89 -0.28 1.22 2.07 -1.14 0.00 116.25 119.38 3kzi h VAL 99 Ca 0.69 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 68.27 3kzi h VAL 99 Cb 1.51 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 3kzi h VAL 99 CO -0.59 0.00 -0.11 -0.78 0.02 0.00 0.00 177.57 176.11 3kzi h ASP 100 N -0.15 -0.38 -0.65 0.57 3.58 0.23 -1.96 116.42 117.65 3kzi h ASP 100 Ca -0.02 0.10 0.13 0.00 0.42 0.00 0.00 57.03 57.67 3kzi h ASP 100 Cb 0.12 0.22 -0.10 0.00 1.72 0.00 0.00 39.33 41.29 3kzi h ASP 100 CO 0.03 -0.14 0.12 0.22 -2.88 0.00 0.00 179.24 176.58 3kzi h TYR 101 N -0.06 0.18 0.00 0.28 5.03 -0.79 0.46 116.97 122.06 3kzi h TYR 101 Ca 0.14 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.49 3kzi h TYR 101 Cb 0.28 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.58 3kzi h TYR 101 CO -0.31 -0.08 0.00 -1.33 -1.32 0.00 0.00 178.16 175.13 3kzi n MET 102 N -5.17 0.14 -0.08 1.82 0.00 -0.06 -2.03 117.12 111.75 3kzi n MET 102 Ca 0.11 0.20 -0.13 0.00 0.00 0.00 0.00 57.70 57.87 3kzi n MET 102 Cb 0.38 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 32.03 3kzi n MET 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3kzi n LYS 103 N -1.30 0.37 -3.40 0.03 5.02 0.13 -1.39 118.16 117.61 3kzi n LYS 103 Ca 0.05 0.11 -0.26 0.00 -2.02 0.00 0.00 58.31 56.19 3kzi n LYS 103 Cb 0.08 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 3kzi n LYS 103 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kzi s ASN 104 N -5.82 2.08 0.44 4.39 2.47 0.83 -3.09 114.94 116.23 3kzi s ASN 104 Ca -0.21 -2.38 -0.24 0.00 0.42 0.00 0.00 52.86 50.44 3kzi s ASN 104 Cb 0.06 -0.21 -0.08 0.00 -1.45 0.00 0.00 41.25 39.58 3kzi s ASN 104 CO 0.33 -0.25 1.25 -2.16 -3.72 0.00 0.00 177.10 172.55 3kzi s PRO 105 N 0.78 3.81 0.28 0.43 0.04 -0.86 -4.46 135.00 135.03 3kzi s PRO 105 Ca 0.23 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.31 3kzi s PRO 105 Cb -0.13 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 3kzi s PRO 105 CO -0.06 -0.58 0.17 0.95 0.04 0.00 0.00 177.00 177.52 3kzi s THR 106 N -1.37 0.23 0.66 1.26 -4.23 -1.26 -0.66 115.64 110.27 3kzi s THR 106 Ca 0.61 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.03 3kzi s THR 106 Cb -0.35 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 70.99 3kzi s THR 106 CO 0.43 0.00 1.01 0.42 -0.54 0.00 0.00 174.62 175.94 3kzi s THR 107 N -3.70 3.44 0.60 3.99 -4.23 -0.62 -4.81 115.64 110.31 3kzi s THR 107 Ca 0.37 0.20 0.28 0.00 -1.18 0.00 0.00 61.69 61.37 3kzi s THR 107 Cb 0.05 -3.42 0.36 0.00 1.34 0.00 0.00 72.50 70.83 3kzi s THR 107 CO 0.18 -0.50 1.84 0.22 -0.54 0.00 0.00 174.62 175.82 3kzi h TYR 108 N -0.45 0.00 -0.01 3.99 3.20 -1.93 1.11 116.97 122.88 3kzi h TYR 108 Ca -0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3kzi h TYR 108 Cb 1.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.53 3kzi h TYR 108 CO 0.47 0.00 -0.44 -0.40 -1.64 0.00 0.00 178.16 176.15 3kzi n ASP 109 N -3.54 1.81 0.00 -2.11 5.68 -1.26 -1.53 116.55 115.61 3kzi n ASP 109 Ca 0.08 -1.38 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 3kzi n ASP 109 Cb 0.70 0.41 0.00 0.00 -1.14 0.00 0.00 41.12 41.10 3kzi n ASP 109 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kzi n GLY 110 N 1.40 0.51 0.53 6.12 0.00 0.38 -4.75 105.19 109.39 3kzi n GLY 110 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3kzi n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kzi n GLU 111 N -1.98 0.87 -3.54 1.61 1.02 -1.26 -4.72 120.64 112.64 3kzi n GLU 111 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kzi n GLU 111 Cb 0.01 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 3kzi n GLU 111 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3kzi s GLN 112 N -0.93 0.29 0.06 3.49 0.74 -1.26 -5.00 119.66 117.06 3kzi s GLN 112 Ca 0.00 0.58 -0.30 0.00 0.05 0.00 0.00 55.36 55.69 3kzi s GLN 112 Cb 0.00 0.18 -0.05 0.00 1.10 0.00 0.00 33.01 34.24 3kzi s GLN 112 CO 0.00 -0.07 0.96 -1.21 -0.55 0.00 0.00 175.29 174.42 3kzi s GLU 113 N 1.69 4.64 -0.14 1.67 2.02 -1.26 -1.59 118.70 125.73 3kzi s GLU 113 Ca -0.06 1.42 0.18 0.00 0.02 0.00 0.00 54.97 56.53 3kzi s GLU 113 Cb -0.04 -3.41 0.32 0.00 0.10 0.00 0.00 34.13 31.10 3kzi s GLU 113 CO -0.15 0.11 1.19 0.44 0.02 0.00 0.00 175.26 176.87 3kzi n ILE 114 N 3.22 1.95 0.19 -1.63 -5.35 0.17 -4.78 119.36 113.13 3kzi n ILE 114 Ca 0.04 -2.26 0.09 0.00 -0.27 0.00 0.00 62.75 60.34 3kzi n ILE 114 Cb 0.50 -0.24 0.47 0.00 -1.74 0.00 0.00 39.64 38.63 3kzi n ILE 114 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kzi h ALA 115 N 0.24 1.19 0.00 -1.28 0.00 -1.80 -1.18 119.26 116.43 3kzi h ALA 115 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3kzi h ALA 115 Cb 1.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3kzi h ALA 115 CO 0.03 -0.19 -0.63 1.49 0.00 0.00 0.00 179.25 179.95 3kzi h GLU 116 N 0.00 0.00 0.00 0.00 4.81 -1.94 -3.33 114.58 114.11 3kzi h GLU 116 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kzi h GLU 116 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3kzi h GLU 116 CO 0.00 0.63 -0.08 1.33 -0.73 0.00 0.00 179.01 180.17 3kzi n VAL 117 N -3.30 1.42 -3.75 0.32 0.24 -0.48 -4.98 118.33 107.80 3kzi n VAL 117 Ca 0.01 -1.68 -0.14 0.00 -2.04 0.00 0.00 64.34 60.49 3kzi n VAL 117 Cb 0.77 0.01 -0.15 0.00 -1.47 0.00 0.00 33.84 33.01 3kzi n VAL 117 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3kzi s HIS 118 N -2.10 -0.13 0.40 6.34 5.65 -0.99 -5.13 115.29 119.34 3kzi s HIS 118 Ca 0.22 0.41 -0.25 0.00 0.25 0.00 0.00 55.06 55.69 3kzi s HIS 118 Cb 0.19 -0.11 -0.11 0.00 -1.18 0.00 0.00 32.58 31.37 3kzi s HIS 118 CO 0.02 -0.15 1.04 -2.30 -0.65 0.00 0.00 174.74 172.70 3kzi n PRO 119 N 4.20 1.42 -3.65 2.88 -0.02 -1.26 -4.55 135.00 134.02 3kzi n PRO 119 Ca -0.27 0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 61.70 3kzi n PRO 119 Cb 0.51 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 3kzi n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kzi s SER 120 N -0.69 -0.14 0.12 2.55 1.04 -1.26 -4.89 113.70 110.43 3kzi s SER 120 Ca 0.62 -0.20 -0.15 0.00 0.48 0.00 0.00 55.95 56.70 3kzi s SER 120 Cb -0.57 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 3kzi s SER 120 CO 0.57 -0.53 1.55 -0.07 0.98 0.00 0.00 173.24 175.74 3kzi h LEU 121 N 2.00 0.65 -0.16 2.42 -0.00 -1.32 -2.44 115.31 116.46 3kzi h LEU 121 Ca -0.25 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 3kzi h LEU 121 Cb 1.21 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 3kzi h LEU 121 CO 0.27 0.82 0.00 -2.11 -0.00 0.00 0.00 178.44 177.42 3kzi n ARG 122 N -4.46 0.42 -1.84 1.13 1.85 -1.18 -2.70 116.66 109.88 3kzi n ARG 122 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.83 3kzi n ARG 122 Cb 0.30 -1.03 0.02 0.00 -1.05 0.00 0.00 32.46 30.69 3kzi n ARG 122 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3kzi n SER 123 N -0.38 0.16 0.29 2.89 3.41 -0.93 -4.90 113.62 114.16 3kzi n SER 123 Ca 0.00 -2.04 0.18 0.00 -0.26 0.00 0.00 58.87 56.75 3kzi n SER 123 Cb 0.02 -0.01 0.80 0.00 -0.26 0.00 0.00 64.21 64.75 3kzi n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kzi h ALA 124 N 1.06 1.01 -0.20 7.33 0.00 -1.41 -1.40 119.26 125.65 3kzi h ALA 124 Ca -0.34 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3kzi h ALA 124 Cb 1.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3kzi h ALA 124 CO -0.04 0.02 -0.16 0.38 0.00 0.00 0.00 179.25 179.44 3kzi h ASP 125 N 0.00 0.33 0.59 0.00 2.03 -1.90 -2.20 116.42 115.27 3kzi h ASP 125 Ca -0.00 -0.08 -0.23 0.00 -0.73 0.00 0.00 57.03 55.98 3kzi h ASP 125 Cb 0.40 -0.09 -0.04 0.00 -0.83 0.00 0.00 39.33 38.78 3kzi h ASP 125 CO 0.00 0.52 -1.56 -0.38 -1.03 0.00 0.00 179.24 176.79 3kzi n ILE 126 N -4.21 1.41 -3.44 4.15 5.41 -0.78 -4.53 119.36 117.38 3kzi n ILE 126 Ca -0.00 -0.75 -0.26 0.00 1.00 0.00 0.00 62.75 62.74 3kzi n ILE 126 Cb 0.32 -0.90 -0.09 0.00 -0.71 0.00 0.00 39.64 38.26 3kzi n ILE 126 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3kzi n PHE 127 N -2.97 2.09 -0.33 1.39 3.72 -0.60 -5.00 117.46 115.76 3kzi n PHE 127 Ca -0.13 -3.95 0.18 0.00 -0.05 0.00 0.00 57.45 53.50 3kzi n PHE 127 Cb 0.95 -0.43 0.34 0.00 -0.94 0.00 0.00 39.48 39.39 3kzi n PHE 127 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3kzi n PRO 128 N 1.38 -0.07 0.01 -1.08 -0.02 -0.84 -0.28 135.00 134.10 3kzi n PRO 128 Ca 0.26 1.44 0.21 0.00 -2.02 0.00 0.00 63.50 63.39 3kzi n PRO 128 Cb 0.44 -2.34 0.51 0.00 -0.02 0.00 0.00 33.50 32.08 3kzi n PRO 128 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kzi h LYS 129 N 0.00 0.00 -0.01 -0.52 1.57 -1.94 0.69 116.57 116.35 3kzi h LYS 129 Ca 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 3kzi h LYS 129 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 3kzi h LYS 129 CO -0.89 0.00 -0.10 -1.33 -0.57 0.00 0.00 179.45 176.56 3kzi n MET 130 N -3.23 1.17 0.08 3.15 2.81 0.62 -4.36 117.12 117.35 3kzi n MET 130 Ca 0.13 -0.60 -0.12 0.00 -1.81 0.00 0.00 57.70 55.30 3kzi n MET 130 Cb 1.07 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 32.01 3kzi n MET 130 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kzi h ARG 131 N 1.47 -0.24 0.17 0.03 3.08 0.25 -3.32 114.38 115.82 3kzi h ARG 131 Ca 0.00 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3kzi h ARG 131 Cb 0.43 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 3kzi h ARG 131 CO 0.00 0.16 -0.46 -0.91 -1.07 0.00 0.00 179.97 177.70 3kzi h ASN 132 N -0.75 -1.34 -0.23 7.04 2.35 -1.76 -3.44 115.58 117.45 3kzi h ASN 132 Ca -0.03 0.14 -0.22 0.00 -0.55 0.00 0.00 56.30 55.65 3kzi h ASN 132 Cb 0.51 0.49 0.00 0.00 0.05 0.00 0.00 38.32 39.37 3kzi h ASN 132 CO 0.04 -0.53 0.18 0.18 -1.65 0.00 0.00 177.43 175.66 3kzi n LEU 133 N -5.48 0.30 -4.53 1.61 4.77 -1.25 -4.96 117.00 107.45 3kzi n LEU 133 Ca -0.08 0.29 -0.24 0.00 -0.03 0.00 0.00 56.01 55.95 3kzi n LEU 133 Cb 0.40 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 3kzi n LEU 133 CO 0.19 -0.21 -0.42 0.42 -1.33 0.00 0.00 177.39 176.04 3kzi s THR 134 N 0.81 2.61 0.56 -5.08 -4.23 -1.26 -4.96 115.64 104.09 3kzi s THR 134 Ca 0.27 -2.25 0.41 0.00 -1.18 0.00 0.00 61.69 58.94 3kzi s THR 134 Cb -0.38 -2.50 0.61 0.00 1.34 0.00 0.00 72.50 71.57 3kzi s THR 134 CO 0.20 -0.34 1.69 -0.33 -0.54 0.00 0.00 174.62 175.30 3kzi h GLU 135 N 2.11 0.00 -0.18 3.99 4.39 -1.99 0.92 114.58 123.83 3kzi h GLU 135 Ca -0.41 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.24 3kzi h GLU 135 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 3kzi h GLU 135 CO 0.63 0.00 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.20 3kzi h LYS 136 N 0.00 0.36 -0.44 2.33 3.64 -2.00 -2.81 116.57 117.65 3kzi h LYS 136 Ca 0.69 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.91 3kzi h LYS 136 Cb 2.85 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 34.64 3kzi h LYS 136 CO -0.01 0.64 0.22 -0.44 -2.27 0.00 0.00 179.45 177.60 3kzi h ASP 137 N 0.06 0.56 -0.73 4.20 3.32 0.45 -2.69 116.42 121.59 3kzi h ASP 137 Ca 0.04 -0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.06 3kzi h ASP 137 Cb 0.52 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 3kzi h ASP 137 CO 0.02 0.51 0.48 -0.07 -1.72 0.00 0.00 179.24 178.47 3kzi h LEU 138 N 0.57 0.62 -0.80 1.55 3.38 -1.26 -1.53 115.31 117.84 3kzi h LEU 138 Ca 0.15 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3kzi h LEU 138 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kzi h LEU 138 CO -0.02 0.38 -0.29 0.58 0.09 0.00 0.00 178.44 179.18 3kzi h VAL 139 N 0.70 1.28 0.01 1.22 2.07 -1.21 -2.26 116.25 118.05 3kzi h VAL 139 Ca 0.33 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 3kzi h VAL 139 Cb 0.37 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3kzi h VAL 139 CO -0.11 0.44 -0.01 0.00 0.02 0.00 0.00 177.57 177.91 3kzi h ALA 140 N 1.19 -0.02 -0.53 1.67 0.00 -1.11 -1.12 119.26 119.35 3kzi h ALA 140 Ca 0.06 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3kzi h ALA 140 Cb 0.76 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3kzi h ALA 140 CO 0.06 -0.28 0.04 0.82 0.00 0.00 0.00 179.25 179.89 3kzi h ILE 141 N -0.49 0.62 -0.56 0.00 2.04 -1.35 0.13 117.51 117.90 3kzi h ILE 141 Ca -0.00 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3kzi h ILE 141 Cb 0.47 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3kzi h ILE 141 CO 0.00 0.03 0.34 0.00 0.00 0.00 0.00 178.15 178.53 3kzi h ALA 142 N 1.46 0.72 -0.69 1.87 0.00 -1.36 -2.26 119.26 118.99 3kzi h ALA 142 Ca 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3kzi h ALA 142 Cb 0.41 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kzi h ALA 142 CO -0.41 0.08 0.33 0.78 0.00 0.00 0.00 179.25 180.02 3kzi h GLY 143 N 0.69 1.06 1.00 0.00 0.00 0.28 -2.74 103.07 103.35 3kzi h GLY 143 Ca 0.22 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.04 3kzi h GLY 143 CO -0.09 0.49 0.30 0.84 0.00 0.00 0.00 176.54 178.08 3kzi h HIS 144 N 0.99 0.56 -0.22 5.60 6.17 -0.26 -1.01 115.15 126.97 3kzi h HIS 144 Ca 0.24 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.35 3kzi h HIS 144 Cb 0.11 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 29.84 3kzi h HIS 144 CO 0.01 0.35 0.15 0.82 0.71 0.00 0.00 177.93 179.97 3kzi h ILE 145 N 0.61 1.02 0.00 6.26 2.04 -1.16 0.15 117.51 126.43 3kzi h ILE 145 Ca 0.17 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3kzi h ILE 145 Cb -0.06 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3kzi h ILE 145 CO -0.04 0.04 -1.00 -0.07 0.00 0.00 0.00 178.15 177.08 3kzi h LEU 146 N 0.24 0.00 0.14 1.44 3.38 -1.32 -3.37 115.31 115.82 3kzi h LEU 146 Ca 0.09 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.71 3kzi h LEU 146 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kzi h LEU 146 CO -0.02 0.10 -1.85 0.58 0.09 0.00 0.00 178.44 177.34 3kzi h VAL 147 N 0.00 0.80 0.10 1.22 2.07 -0.42 -3.37 116.25 116.65 3kzi h VAL 147 Ca -0.03 -2.46 0.01 0.00 0.82 0.00 0.00 66.70 65.04 3kzi h VAL 147 Cb 1.10 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 33.46 3kzi h VAL 147 CO 0.01 0.86 -0.43 -0.33 0.02 0.00 0.00 177.57 177.70 3kzi h GLU 148 N 0.08 -0.59 -0.67 1.57 4.39 -0.90 -1.23 114.58 117.24 3kzi h GLU 148 Ca -0.37 0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.56 3kzi h GLU 148 Cb 2.06 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 30.82 3kzi h GLU 148 CO 0.13 -0.40 0.52 -1.00 -1.16 0.00 0.00 179.01 177.11 3kzi h PRO 149 N -0.62 0.00 -0.38 2.33 0.13 -1.78 0.46 132.00 132.15 3kzi h PRO 149 Ca -0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 3kzi h PRO 149 Cb 0.62 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 3kzi h PRO 149 CO -0.23 0.00 0.09 0.87 -0.23 0.00 0.00 178.00 178.50 3kzi h LYS 150 N 0.00 0.55 0.00 0.86 1.57 -1.40 0.47 116.57 118.63 3kzi h LYS 150 Ca 0.32 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 3kzi h LYS 150 Cb 1.36 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 3kzi h LYS 150 CO -0.00 0.51 -0.93 0.82 -0.57 0.00 0.00 179.45 179.28 3kzi h ILE 151 N 0.54 0.57 0.09 1.86 2.04 0.17 -3.41 117.51 119.37 3kzi h ILE 151 Ca 0.13 -1.72 -0.28 0.00 1.00 0.00 0.00 64.86 63.99 3kzi h ILE 151 Cb 0.22 1.37 0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3kzi h ILE 151 CO -0.00 0.19 -1.17 -0.07 0.00 0.00 0.00 178.15 177.10 3kzi h LEU 152 N -1.00 0.70 0.00 1.44 3.38 -0.87 -3.50 115.31 115.46 3kzi h LEU 152 Ca -0.21 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3kzi h LEU 152 Cb 0.97 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3kzi h LEU 152 CO -0.12 1.46 0.00 0.61 0.09 0.00 0.00 178.44 180.47 3kzi n GLY 153 N 1.30 0.50 0.38 0.83 0.00 0.17 -3.62 105.19 104.75 3kzi n GLY 153 Ca -0.11 -0.89 0.35 0.00 0.00 0.00 0.00 46.02 45.37 3kzi n GLY 153 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kzi h ASP 154 N 8.78 0.29 -0.33 1.61 5.19 -1.96 0.43 116.42 130.42 3kzi h ASP 154 Ca 0.00 0.21 0.07 0.00 -0.62 0.00 0.00 57.03 56.69 3kzi h ASP 154 Cb 0.00 0.21 -0.08 0.00 0.18 0.00 0.00 39.33 39.64 3kzi h ASP 154 CO 0.00 -0.34 -0.34 0.11 -3.12 0.00 0.00 179.24 175.54 3kzi h LYS 155 N 0.03 -0.29 -0.84 3.56 1.57 -1.92 -2.38 116.57 116.29 3kzi h LYS 155 Ca 0.85 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.85 3kzi h LYS 155 Cb 2.43 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 34.66 3kzi h LYS 155 CO -0.63 -0.20 -0.05 2.35 -0.57 0.00 0.00 179.45 180.35 3kzi h TRP 156 N -0.31 -0.16 0.19 -1.35 2.91 -1.14 -3.15 115.95 112.94 3kzi h TRP 156 Ca 0.15 0.07 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 3kzi h TRP 156 Cb 0.55 0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.41 3kzi h TRP 156 CO -0.52 -0.32 -0.09 0.78 -1.03 0.00 0.00 178.44 177.26 3kzi h GLY 157 N 0.05 -0.27 -1.05 2.65 0.00 -1.56 -3.27 103.07 99.63 3kzi h GLY 157 Ca 0.46 0.10 -0.36 0.00 0.00 0.00 0.00 47.33 47.53 3kzi h GLY 157 CO -0.79 -0.10 -0.23 0.61 0.00 0.00 0.00 176.54 176.03 3kzi n GLY 158 N 1.12 -3.17 0.00 4.60 0.00 -1.05 -4.38 105.19 102.31 3kzi n GLY 158 Ca -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3kzi n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kzi n GLY 159 N 1.84 3.42 0.49 -0.02 0.00 -1.26 -4.78 105.19 104.88 3kzi n GLY 159 Ca 0.09 -1.61 0.31 0.00 0.00 0.00 0.00 46.02 44.80 3kzi n GLY 159 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kzi h LYS 160 N 0.00 0.00 -0.90 1.61 2.10 -1.97 0.98 116.57 118.39 3kzi h LYS 160 Ca 0.00 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.85 3kzi h LYS 160 Cb 0.00 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.26 3kzi h LYS 160 CO 0.00 0.00 0.59 0.28 -2.00 0.00 0.00 179.45 178.32 3kzi h VAL 161 N 0.00 0.69 0.00 0.07 2.07 -2.00 -2.22 116.25 114.86 3kzi h VAL 161 Ca 0.47 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.84 3kzi h VAL 161 Cb 2.01 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3kzi h VAL 161 CO -0.00 0.08 -1.15 -1.22 0.02 0.00 0.00 177.57 175.30 3kzi n TYR 162 N -4.52 0.09 0.00 1.57 4.01 0.33 -5.18 117.16 113.46 3kzi n TYR 162 Ca 0.19 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 3kzi n TYR 162 Cb 0.67 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 3kzi n TYR 162 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06