#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ust n GLU 40 N 0.00 0.00 -3.61 1.97 1.02 -1.26 -4.80 120.64 113.96 1ust n GLU 40 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1ust n GLU 40 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1ust n GLU 40 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ust s GLU 41 N 0.00 0.69 0.00 3.49 2.12 -1.26 -5.18 118.70 118.56 1ust s GLU 41 Ca 0.00 0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.92 1ust s GLU 41 Cb 0.00 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.72 1ust s GLU 41 CO 0.00 -0.13 0.00 0.00 -0.54 0.00 0.00 175.26 174.59 1ust n ALA 42 N 1.93 0.00 0.98 6.30 0.00 -1.26 -4.80 120.51 123.66 1ust n ALA 42 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ust n ALA 42 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1ust n ALA 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ust n SER 43 N 0.00 2.67 -1.50 0.00 7.64 -1.26 -4.39 113.62 116.77 1ust n SER 43 Ca 0.00 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1ust n SER 43 Cb 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1ust n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ust n SER 44 N 0.44 4.41 -4.86 6.43 7.64 -1.26 -4.81 113.62 121.61 1ust n SER 44 Ca 0.00 -2.17 -0.34 0.00 1.01 0.00 0.00 58.87 57.38 1ust n SER 44 Cb 0.46 -0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 62.68 1ust n SER 44 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ust s LYS 45 N 0.25 3.86 0.40 1.43 -0.14 -1.26 -4.97 119.74 119.31 1ust s LYS 45 Ca 0.00 0.32 0.28 0.00 -1.36 0.00 0.00 55.97 55.22 1ust s LYS 45 Cb 0.00 -2.84 1.16 0.00 -1.68 0.00 0.00 37.83 34.47 1ust s LYS 45 CO 0.00 0.44 1.84 1.03 -0.76 0.00 0.00 175.35 177.90 1ust h SER 46 N 3.20 0.00 0.00 2.83 0.87 -2.01 -3.46 113.55 114.98 1ust h SER 46 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1ust h SER 46 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1ust h SER 46 CO 0.67 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 175.75 1ust n TYR 47 N -2.64 0.00 -0.20 2.24 4.02 -1.26 -4.53 117.16 114.79 1ust n TYR 47 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1ust n TYR 47 Cb 0.27 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.69 1ust n TYR 47 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1ust h ARG 48 N 0.00 0.43 -0.41 -0.72 2.43 -1.96 0.43 114.38 114.58 1ust h ARG 48 Ca 0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1ust h ARG 48 Cb 0.00 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1ust h ARG 48 CO 0.00 0.28 0.26 1.05 -1.51 0.00 0.00 179.97 180.06 1ust h GLU 49 N 0.44 0.52 0.22 0.20 4.11 -1.98 0.43 114.58 118.53 1ust h GLU 49 Ca 0.30 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.68 1ust h GLU 49 Cb 0.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ust h GLU 49 CO -0.28 0.35 -0.11 -0.07 0.07 0.00 0.00 179.01 178.97 1ust h LEU 50 N 0.54 -0.25 0.19 3.06 4.07 -1.55 -1.78 115.31 119.58 1ust h LEU 50 Ca 0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1ust h LEU 50 Cb -0.04 0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1ust h LEU 50 CO -0.04 -0.06 -0.09 0.40 -1.08 0.00 0.00 178.44 177.57 1ust h ILE 51 N -0.44 0.88 -0.69 1.22 2.04 -0.07 -2.64 117.51 117.81 1ust h ILE 51 Ca -0.03 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1ust h ILE 51 Cb 0.33 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1ust h ILE 51 CO 0.05 0.07 0.26 0.40 0.00 0.00 0.00 178.15 178.93 1ust h ILE 52 N -0.40 1.25 -0.84 -0.67 2.04 -0.97 1.05 117.51 118.96 1ust h ILE 52 Ca -0.03 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.12 1ust h ILE 52 Cb 0.31 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1ust h ILE 52 CO 0.04 0.32 0.55 -0.08 0.00 0.00 0.00 178.15 178.97 1ust h GLU 53 N 0.99 0.82 0.08 2.37 4.81 -1.31 -0.34 114.58 121.99 1ust h GLU 53 Ca 0.23 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1ust h GLU 53 Cb 0.23 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1ust h GLU 53 CO -0.02 0.54 -0.04 0.78 -0.73 0.00 0.00 179.01 179.55 1ust h GLY 54 N 0.85 -0.11 -0.05 1.92 0.00 -0.99 -3.28 103.07 101.40 1ust h GLY 54 Ca 0.38 0.04 0.28 0.00 0.00 0.00 0.00 47.33 48.03 1ust h GLY 54 CO -0.15 -0.04 0.70 -2.00 0.00 0.00 0.00 176.54 175.05 1ust h LEU 55 N -1.02 0.19 -0.54 3.11 5.85 0.14 0.81 115.31 123.86 1ust h LEU 55 Ca -0.01 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 1ust h LEU 55 Cb 0.21 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1ust h LEU 55 CO 0.02 0.05 -0.71 0.00 -0.34 0.00 0.00 178.44 177.46 1ust h THR 56 N 0.18 1.46 0.00 1.05 1.03 -1.22 -3.20 112.91 112.21 1ust h THR 56 Ca 0.52 -2.30 -0.18 0.00 -0.01 0.00 0.00 66.41 64.44 1ust h THR 56 Cb 1.73 2.23 -0.03 0.00 -1.07 0.00 0.00 68.15 71.01 1ust h THR 56 CO -0.12 0.67 -1.01 0.00 -0.01 0.00 0.00 175.52 175.05 1ust h ALA 57 N 1.18 0.21 -0.38 0.00 0.00 0.37 -3.39 119.26 117.24 1ust h ALA 57 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1ust h ALA 57 Cb 1.26 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1ust h ALA 57 CO 0.10 0.57 0.00 1.47 0.00 0.00 0.00 179.25 181.39 1ust n LEU 58 N -4.47 3.54 0.19 0.00 -0.00 0.94 -4.10 117.00 113.09 1ust n LEU 58 Ca -0.27 -1.79 0.03 0.00 -0.00 0.00 0.00 56.01 53.98 1ust n LEU 58 Cb 0.63 -0.53 0.36 0.00 -0.00 0.00 0.00 43.42 43.88 1ust n LEU 58 CO 0.21 0.52 0.71 0.07 -0.00 0.00 0.00 177.39 178.90 1ust h LYS 59 N 2.51 0.00 0.00 1.47 2.10 -1.75 -3.39 116.57 117.52 1ust h LYS 59 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ust h LYS 59 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1ust h LYS 59 CO 0.23 0.38 0.00 0.39 -2.00 0.00 0.00 179.45 178.45 1ust n GLU 60 N -3.95 0.00 0.21 0.07 1.02 -1.26 -1.22 120.64 115.52 1ust n GLU 60 Ca -0.02 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.19 1ust n GLU 60 Cb 0.43 0.00 0.48 0.00 -0.02 0.00 0.00 31.44 32.33 1ust n GLU 60 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1ust h ARG 61 N 0.00 0.00 0.00 3.49 0.11 -1.98 -3.44 114.38 112.56 1ust h ARG 61 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ust h ARG 61 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1ust h ARG 61 CO 0.00 0.27 0.00 0.36 0.10 0.00 0.00 179.97 180.70 1ust n LYS 62 N -3.85 0.00 -3.73 0.08 2.85 -0.71 -5.17 118.16 107.63 1ust n LYS 62 Ca -0.02 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.14 1ust n LYS 62 Cb 0.36 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.68 1ust n LYS 62 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1ust s GLY 63 N -1.30 -0.13 -0.02 2.58 0.00 -0.35 -4.69 107.32 103.40 1ust s GLY 63 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1ust s GLY 63 CO 0.00 -0.40 0.03 -0.56 0.00 0.00 0.00 173.10 172.17 1ust s SER 64 N -2.58 5.37 0.40 1.64 0.01 0.51 -4.65 113.70 114.40 1ust s SER 64 Ca 0.01 0.09 -0.27 0.00 1.31 0.00 0.00 55.95 57.09 1ust s SER 64 Cb 0.02 -1.48 -0.09 0.00 0.21 0.00 0.00 66.02 64.67 1ust s SER 64 CO -0.09 0.30 1.35 -0.55 0.41 0.00 0.00 173.24 174.66 1ust s SER 65 N -1.50 6.30 0.14 2.44 0.15 -1.26 -0.99 113.70 118.97 1ust s SER 65 Ca 0.20 2.77 -0.19 0.00 0.70 0.00 0.00 55.95 59.42 1ust s SER 65 Cb -0.12 -2.65 0.01 0.00 -1.71 0.00 0.00 66.02 61.56 1ust s SER 65 CO 0.10 -0.87 1.70 0.03 1.20 0.00 0.00 173.24 175.40 1ust h ARG 66 N 2.75 0.04 -0.15 5.44 3.08 -1.92 -1.12 114.38 122.51 1ust h ARG 66 Ca -0.50 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.59 1ust h ARG 66 Cb 1.25 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1ust h ARG 66 CO 0.63 0.03 0.12 -1.00 -1.07 0.00 0.00 179.97 178.67 1ust h PRO 67 N 0.04 0.00 -0.46 0.04 0.13 -1.98 -0.84 132.00 128.93 1ust h PRO 67 Ca 0.12 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.13 1ust h PRO 67 Cb 0.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1ust h PRO 67 CO -0.24 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 177.34 1ust h ALA 68 N 1.91 0.78 -0.52 -0.56 0.00 -1.60 -1.26 119.26 118.00 1ust h ALA 68 Ca 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1ust h ALA 68 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ust h ALA 68 CO -0.00 0.66 0.24 -0.07 0.00 0.00 0.00 179.25 180.08 1ust h LEU 69 N 0.81 0.69 -0.95 0.00 3.38 -0.45 0.99 115.31 119.77 1ust h LEU 69 Ca 0.11 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1ust h LEU 69 Cb 0.75 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1ust h LEU 69 CO 0.06 0.64 0.60 0.11 0.09 0.00 0.00 178.44 179.94 1ust h LYS 70 N 0.70 1.06 -0.13 1.13 1.57 -1.12 -1.22 116.57 118.56 1ust h LYS 70 Ca 0.18 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1ust h LYS 70 Cb 0.14 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1ust h LYS 70 CO -0.02 0.70 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.29 1ust h LYS 71 N 1.09 0.27 -0.64 3.15 3.64 -0.55 -2.00 116.57 121.54 1ust h LYS 71 Ca 0.41 -0.11 0.12 0.00 -1.27 0.00 0.00 60.65 59.80 1ust h LYS 71 Cb 0.18 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.90 1ust h LYS 71 CO -0.18 0.59 0.19 0.35 -2.27 0.00 0.00 179.45 178.13 1ust h PHE 72 N -0.06 0.31 -0.45 1.91 3.04 -0.35 0.89 116.94 122.24 1ust h PHE 72 Ca 0.03 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 1ust h PHE 72 Cb 0.50 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1ust h PHE 72 CO 0.06 0.02 0.16 0.82 -2.02 0.00 0.00 178.31 177.35 1ust h ILE 73 N 0.33 1.21 -0.56 1.41 2.04 -1.12 -1.47 117.51 119.36 1ust h ILE 73 Ca 0.34 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1ust h ILE 73 Cb 0.48 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1ust h ILE 73 CO -0.38 0.25 0.12 0.11 0.00 0.00 0.00 178.15 178.24 1ust h LYS 74 N 0.58 0.88 -0.38 2.37 1.57 -0.49 0.81 116.57 121.90 1ust h LYS 74 Ca 0.15 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1ust h LYS 74 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1ust h LYS 74 CO -0.01 0.80 -0.38 0.93 -0.57 0.00 0.00 179.45 180.22 1ust h GLU 75 N 0.84 0.91 0.06 3.15 4.39 -0.64 -3.22 114.58 120.07 1ust h GLU 75 Ca 0.18 -0.47 -0.37 0.00 0.34 0.00 0.00 59.36 59.04 1ust h GLU 75 Cb 0.33 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1ust h GLU 75 CO 0.00 1.12 -2.14 0.09 -1.16 0.00 0.00 179.01 176.92 1ust n ASN 76 N -4.06 2.04 -3.70 1.42 3.02 -0.57 -4.71 115.26 108.71 1ust n ASN 76 Ca -0.02 0.11 -0.27 0.00 -0.03 0.00 0.00 54.58 54.37 1ust n ASN 76 Cb 0.54 -0.71 -0.11 0.00 -0.61 0.00 0.00 39.78 38.89 1ust n ASN 76 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ust n TYR 77 N -3.53 2.73 0.26 3.10 4.02 0.28 -4.93 117.16 119.09 1ust n TYR 77 Ca -0.38 -4.13 0.17 0.00 -0.01 0.00 0.00 57.90 53.55 1ust n TYR 77 Cb 0.99 -0.50 0.93 0.00 -0.02 0.00 0.00 39.34 40.74 1ust n TYR 77 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1ust h PRO 78 N 5.05 0.00 0.30 -0.72 0.13 -1.67 0.18 132.00 135.27 1ust h PRO 78 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1ust h PRO 78 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1ust h PRO 78 CO 0.70 0.00 -0.26 0.82 -0.23 0.00 0.00 178.00 179.03 1ust h ILE 79 N 0.00 0.00 0.00 -3.56 5.03 -1.90 -1.65 117.51 115.44 1ust h ILE 79 Ca 0.00 0.00 -0.20 0.00 -0.12 0.00 0.00 64.86 64.54 1ust h ILE 79 Cb 0.00 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 33.78 1ust h ILE 79 CO 0.00 0.00 -0.89 0.58 -0.68 0.00 0.00 178.15 177.16 1ust h VAL 80 N -0.54 1.49 -0.87 1.67 2.07 -1.80 -3.29 116.25 114.98 1ust h VAL 80 Ca -0.04 -2.62 0.16 0.00 0.82 0.00 0.00 66.70 65.02 1ust h VAL 80 Cb 0.46 2.47 -0.10 0.00 -1.52 0.00 0.00 31.29 32.60 1ust h VAL 80 CO -0.01 0.76 0.45 1.23 0.02 0.00 0.00 177.57 180.02 1ust h GLY 81 N 1.80 1.44 -3.77 2.17 0.00 -0.55 0.10 103.07 104.26 1ust h GLY 81 Ca -0.05 -0.25 -0.50 0.00 0.00 0.00 0.00 47.33 46.53 1ust h GLY 81 CO 0.14 -0.07 0.58 1.44 0.00 0.00 0.00 176.54 178.63 1ust n SER 82 N -4.88 4.02 -4.79 0.19 7.64 -0.63 -4.80 113.62 110.36 1ust n SER 82 Ca 0.18 -3.65 -0.35 0.00 1.01 0.00 0.00 58.87 56.06 1ust n SER 82 Cb 0.48 -0.83 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 1ust n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ust s ALA 83 N -3.35 2.94 0.15 -0.43 0.00 0.36 -4.96 121.76 116.46 1ust s ALA 83 Ca 0.56 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 1ust s ALA 83 Cb 0.47 -3.26 0.05 0.00 0.00 0.00 0.00 23.12 20.38 1ust s ALA 83 CO 0.08 -0.29 1.75 0.66 0.00 0.00 0.00 175.76 177.96 1ust h SER 84 N 1.86 0.14 -0.57 0.00 4.64 -1.93 -2.84 113.55 114.85 1ust h SER 84 Ca -0.49 0.04 -0.38 0.00 -0.47 0.00 0.00 61.79 60.49 1ust h SER 84 Cb 1.22 0.02 -0.24 0.00 -0.31 0.00 0.00 62.40 63.09 1ust h SER 84 CO 0.60 0.12 -0.19 0.59 -0.87 0.00 0.00 176.83 177.08 1ust n ASN 85 N -5.01 4.07 -0.18 4.97 3.02 -1.26 -4.71 115.26 116.16 1ust n ASN 85 Ca 0.01 -3.79 -0.02 0.00 -0.03 0.00 0.00 54.58 50.75 1ust n ASN 85 Cb 0.12 -0.59 0.08 0.00 -0.61 0.00 0.00 39.78 38.78 1ust n ASN 85 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1ust h PHE 86 N 1.54 0.36 -0.31 3.10 3.57 -1.78 0.17 116.94 123.59 1ust h PHE 86 Ca 0.33 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.88 1ust h PHE 86 Cb 1.46 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 1ust h PHE 86 CO 1.04 0.11 0.15 0.22 -2.23 0.00 0.00 178.31 177.60 1ust h ASP 87 N 0.39 0.23 -0.12 0.41 3.58 -1.84 0.14 116.42 119.20 1ust h ASP 87 Ca 0.27 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 1ust h ASP 87 Cb 0.30 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 1ust h ASP 87 CO -0.27 0.17 0.03 0.25 -2.88 0.00 0.00 179.24 176.54 1ust h LEU 88 N 0.32 0.18 -0.53 2.28 7.12 -1.75 -2.44 115.31 120.50 1ust h LEU 88 Ca 0.13 -0.23 0.02 0.00 0.13 0.00 0.00 57.88 57.93 1ust h LEU 88 Cb 0.05 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.10 1ust h LEU 88 CO -0.09 0.36 0.32 1.88 -0.13 0.00 0.00 178.44 180.78 1ust h TYR 89 N -0.01 0.60 -0.41 1.25 -1.99 -0.44 -1.95 116.97 114.03 1ust h TYR 89 Ca 0.04 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.83 1ust h TYR 89 Cb 0.25 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 38.74 1ust h TYR 89 CO 0.01 0.35 0.16 0.35 -0.00 0.00 0.00 178.16 179.03 1ust h PHE 90 N 0.64 0.29 -0.52 4.88 3.57 -0.63 0.61 116.94 125.78 1ust h PHE 90 Ca 0.21 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1ust h PHE 90 Cb 0.00 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1ust h PHE 90 CO -0.06 0.12 0.26 -0.91 -2.23 0.00 0.00 178.31 175.49 1ust h ASN 91 N 0.33 0.67 -0.52 0.41 2.35 -1.02 0.32 115.58 118.12 1ust h ASN 91 Ca 0.18 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 1ust h ASN 91 Cb 0.15 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1ust h ASN 91 CO -0.17 0.59 -0.02 0.78 -1.65 0.00 0.00 177.43 176.96 1ust h ASN 92 N 0.69 0.94 -0.29 5.81 2.35 -1.07 -0.05 115.58 123.96 1ust h ASN 92 Ca 0.18 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1ust h ASN 92 Cb 0.10 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1ust h ASN 92 CO -0.02 1.01 0.17 0.00 -1.65 0.00 0.00 177.43 176.94 1ust h ALA 93 N 1.09 0.37 0.16 -0.83 0.00 -0.42 -0.39 119.26 119.23 1ust h ALA 93 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ust h ALA 93 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ust h ALA 93 CO 0.03 -0.12 -0.08 0.82 0.00 0.00 0.00 179.25 179.90 1ust h ILE 94 N 0.36 0.89 -0.77 0.00 1.08 -0.75 -0.84 117.51 117.48 1ust h ILE 94 Ca 0.10 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 1ust h ILE 94 Cb 0.02 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 1ust h ILE 94 CO -0.02 0.04 0.38 0.07 -0.69 0.00 0.00 178.15 177.93 1ust h LYS 95 N -0.30 1.11 -0.12 2.37 2.10 -0.85 -0.75 116.57 120.14 1ust h LYS 95 Ca -0.02 -0.16 -0.16 0.00 -2.00 0.00 0.00 60.65 58.31 1ust h LYS 95 Cb 0.23 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1ust h LYS 95 CO 0.04 0.86 -0.59 -0.22 -2.00 0.00 0.00 179.45 177.53 1ust h LYS 96 N 1.09 0.40 -0.50 0.07 1.63 -1.05 -3.17 116.57 115.04 1ust h LYS 96 Ca 0.27 -0.27 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 1ust h LYS 96 Cb 0.11 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1ust h LYS 96 CO -0.03 0.87 -0.16 0.78 -3.45 0.00 0.00 179.45 177.46 1ust h GLY 97 N 1.25 1.07 1.00 5.01 0.00 -0.59 -1.50 103.07 109.32 1ust h GLY 97 Ca -0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 47.33 46.35 1ust h GLY 97 CO 0.10 0.83 0.09 -0.39 0.00 0.00 0.00 176.54 177.17 1ust h VAL 98 N 0.85 1.25 -0.45 4.60 -1.51 -1.16 0.35 116.25 120.18 1ust h VAL 98 Ca 0.12 -0.96 -0.11 0.00 -1.23 0.00 0.00 66.70 64.52 1ust h VAL 98 Cb 0.73 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1ust h VAL 98 CO 0.06 0.35 -0.15 1.05 -1.23 0.00 0.00 177.57 177.64 1ust h GLU 99 N 0.77 0.90 0.00 5.19 4.11 -1.55 -2.97 114.58 121.04 1ust h GLU 99 Ca 0.16 -0.36 -0.05 0.00 0.07 0.00 0.00 59.36 59.18 1ust h GLU 99 Cb 0.41 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1ust h GLU 99 CO 0.01 1.01 -0.25 0.00 0.07 0.00 0.00 179.01 179.86 1ust h ALA 100 N 0.86 1.43 -0.10 1.06 0.00 -1.09 -3.46 119.26 117.96 1ust h ALA 100 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ust h ALA 100 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ust h ALA 100 CO 0.05 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1ust n GLY 101 N -0.65 1.25 0.18 0.00 0.00 -0.46 -5.01 105.19 100.51 1ust n GLY 101 Ca -0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 1ust n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ust n ASP 102 N 0.24 2.83 -4.75 1.61 2.03 0.11 -4.30 116.55 114.31 1ust n ASP 102 Ca 0.00 -0.01 -0.26 0.00 0.52 0.00 0.00 54.79 55.04 1ust n ASP 102 Cb 0.07 -0.15 -0.07 0.00 -0.72 0.00 0.00 41.12 40.25 1ust n ASP 102 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1ust s PHE 103 N -2.16 2.41 -0.19 -0.67 0.08 -0.62 -1.61 117.98 115.22 1ust s PHE 103 Ca -0.11 -0.66 -0.15 0.00 0.12 0.00 0.00 56.93 56.13 1ust s PHE 103 Cb 0.03 -1.91 0.05 0.00 -0.57 0.00 0.00 43.02 40.62 1ust s PHE 103 CO 0.18 0.13 0.48 -2.00 -0.10 0.00 0.00 175.22 173.91 1ust s GLU 104 N -3.93 0.53 -0.28 0.44 -6.30 -0.26 -3.87 118.70 105.02 1ust s GLU 104 Ca 0.36 0.75 0.02 0.00 -2.50 0.00 0.00 54.97 53.61 1ust s GLU 104 Cb 0.03 0.18 0.08 0.00 0.00 0.00 0.00 34.13 34.42 1ust s GLU 104 CO 0.20 -0.10 -0.03 -0.65 0.02 0.00 0.00 175.26 174.71 1ust s GLN 105 N 0.70 1.71 0.33 4.30 -0.21 -1.26 0.21 119.66 125.43 1ust s GLN 105 Ca -0.04 -1.41 0.02 0.00 0.02 0.00 0.00 55.36 53.95 1ust s GLN 105 Cb -0.05 -2.85 0.56 0.00 1.00 0.00 0.00 33.01 31.67 1ust s GLN 105 CO -0.05 -0.73 1.92 -1.00 -2.12 0.00 0.00 175.29 173.31 1ust h PRO 106 N 7.79 0.75 -0.64 2.91 0.13 -1.91 -1.22 132.00 139.81 1ust h PRO 106 Ca -0.13 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1ust h PRO 106 Cb 1.04 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1ust h PRO 106 CO 0.47 0.61 0.00 1.63 -0.23 0.00 0.00 178.00 180.48 1ust n LYS 107 N -4.35 2.85 0.00 0.86 5.02 -1.26 -5.03 118.16 116.25 1ust n LYS 107 Ca 0.04 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 1ust n LYS 107 Cb 0.15 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 1ust n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ust n GLY 108 N 0.67 1.51 3.73 0.72 0.00 -0.46 -4.35 105.19 107.01 1ust n GLY 108 Ca 0.16 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1ust n GLY 108 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ust n PRO 109 N 4.70 2.59 -2.44 1.61 -0.02 -1.26 -1.78 135.00 138.39 1ust n PRO 109 Ca 0.00 0.92 -0.19 0.00 -2.02 0.00 0.00 63.50 62.21 1ust n PRO 109 Cb 0.00 -2.70 -0.00 0.00 -0.02 0.00 0.00 33.50 30.78 1ust n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ust n ALA 110 N 2.50 -0.61 -2.60 3.55 0.00 -1.26 -5.00 120.51 117.09 1ust n ALA 110 Ca 0.11 0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.49 1ust n ALA 110 Cb 0.35 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.45 1ust n ALA 110 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ust s GLY 111 N -2.21 1.72 0.17 0.00 0.00 -0.74 -5.02 107.32 101.24 1ust s GLY 111 Ca 0.04 -1.72 -0.33 0.00 0.00 0.00 0.00 44.72 42.70 1ust s GLY 111 CO 0.05 -1.79 1.54 0.00 0.00 0.00 0.00 173.10 172.90 1ust n ALA 112 N -0.83 1.28 -2.41 3.20 0.00 -1.26 -4.64 120.51 115.85 1ust n ALA 112 Ca -0.06 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 1ust n ALA 112 Cb 0.59 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 1ust n ALA 112 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ust s VAL 113 N 0.73 4.95 -0.17 0.00 1.01 -0.17 -3.85 120.40 122.90 1ust s VAL 113 Ca 0.77 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.81 1ust s VAL 113 Cb -0.68 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 31.99 1ust s VAL 113 CO 0.40 -0.45 0.44 -1.59 0.00 0.00 0.00 175.10 173.89 1ust s LYS 114 N -3.82 0.48 0.03 2.72 0.00 0.13 -0.36 119.74 118.93 1ust s LYS 114 Ca 0.46 0.68 -0.36 0.00 0.00 0.00 0.00 55.97 56.75 1ust s LYS 114 Cb -0.10 0.17 -0.15 0.00 0.00 0.00 0.00 37.83 37.74 1ust s LYS 114 CO 0.32 -0.09 1.54 -0.11 0.00 0.00 0.00 175.35 177.01 1ust n LEU 115 N 3.30 2.41 -4.70 2.77 -0.00 -1.26 -1.10 117.00 118.41 1ust n LEU 115 Ca -0.16 1.08 -0.42 0.00 -0.00 0.00 0.00 56.01 56.51 1ust n LEU 115 Cb 0.56 -1.28 -0.03 0.00 -0.00 0.00 0.00 43.42 42.68 1ust n LEU 115 CO 0.11 -0.61 1.08 0.00 -0.00 0.00 0.00 177.39 177.97 1ust s ALA 116 N 1.51 3.57 -0.90 1.96 0.00 -0.64 -4.80 121.76 122.46 1ust s ALA 116 Ca 0.86 0.99 -0.24 0.00 0.00 0.00 0.00 51.96 53.57 1ust s ALA 116 Cb -0.86 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 18.72 1ust s ALA 116 CO 0.48 -0.74 1.60 0.21 0.00 0.00 0.00 175.76 177.30 1ust s LYS 117 N 1.71 3.14 0.44 0.00 2.47 -1.26 -4.79 119.74 121.44 1ust s LYS 117 Ca 0.64 -0.58 0.00 0.00 -1.56 0.00 0.00 55.97 54.47 1ust s LYS 117 Cb -0.34 -4.99 0.00 0.00 -1.46 0.00 0.00 37.83 31.04 1ust s LYS 117 CO 0.29 -2.58 0.00 0.36 0.16 0.00 0.00 175.35 173.58 1ust n LYS 118 N 8.99 -2.84 0.21 4.03 2.85 -1.26 -4.17 118.16 125.97 1ust n LYS 118 Ca 0.29 2.11 -0.15 0.00 -1.05 0.00 0.00 58.31 59.50 1ust n LYS 118 Cb 0.50 -3.39 -0.08 0.00 -0.65 0.00 0.00 35.03 31.41 1ust n LYS 118 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1ust h LYS 119 N -1.26 -0.45 -6.68 -1.58 1.79 -1.87 -3.42 116.57 103.09 1ust h LYS 119 Ca -0.07 0.03 -0.52 0.00 -2.18 0.00 0.00 60.65 57.91 1ust h LYS 119 Cb 1.23 0.10 0.02 0.00 -1.58 0.00 0.00 32.23 32.00 1ust h LYS 119 CO 0.04 -0.29 0.54 -1.54 -1.08 0.00 0.00 179.45 177.11 1ust s SER 120 N -4.79 7.13 0.16 0.86 1.04 -1.26 -4.79 113.70 112.05 1ust s SER 120 Ca -0.15 2.22 -0.33 0.00 0.48 0.00 0.00 55.95 58.17 1ust s SER 120 Cb 0.05 -2.61 -0.16 0.00 0.10 0.00 0.00 66.02 63.39 1ust s SER 120 CO 0.64 -0.32 1.11 -0.81 0.98 0.00 0.00 173.24 174.83 1ust n PRO 121 N 2.29 0.97 -2.68 4.02 -0.04 -1.26 -4.84 135.00 133.46 1ust n PRO 121 Ca 0.03 0.34 -0.08 0.00 -0.04 0.00 0.00 63.50 63.76 1ust n PRO 121 Cb 0.45 -1.81 0.07 0.00 -0.04 0.00 0.00 33.50 32.17 1ust n PRO 121 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ust n GLU 122 N 1.69 1.19 -3.46 0.54 0.00 -1.26 -5.07 120.64 114.26 1ust n GLU 122 Ca 0.16 -2.57 -0.37 0.00 0.00 0.00 0.00 57.16 54.38 1ust n GLU 122 Cb 0.23 -0.67 -0.06 0.00 0.00 0.00 0.00 31.44 30.93 1ust n GLU 122 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1ust s VAL 123 N -1.57 5.19 0.23 6.31 1.01 -1.26 -4.67 120.40 125.65 1ust s VAL 123 Ca 0.24 0.76 0.04 0.00 0.00 0.00 0.00 61.98 63.03 1ust s VAL 123 Cb 0.43 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1ust s VAL 123 CO -0.02 0.43 1.55 0.11 0.00 0.00 0.00 175.10 177.17 1ust h LYS 124 N 6.04 0.23 -7.12 2.72 6.56 -2.03 -3.43 116.57 119.53 1ust h LYS 124 Ca -0.45 -0.16 -0.49 0.00 -1.06 0.00 0.00 60.65 58.49 1ust h LYS 124 Cb 1.19 0.03 0.06 0.00 -0.57 0.00 0.00 32.23 32.93 1ust h LYS 124 CO 0.71 0.77 0.40 0.21 -2.06 0.00 0.00 179.45 179.48 1ust s LYS 125 N -3.73 3.41 -0.37 3.15 2.20 -1.26 -4.88 119.74 118.26 1ust s LYS 125 Ca -0.04 1.41 -0.04 0.00 -0.36 0.00 0.00 55.97 56.94 1ust s LYS 125 Cb 0.12 -2.03 -0.12 0.00 -1.51 0.00 0.00 37.83 34.29 1ust s LYS 125 CO 0.80 -0.76 2.28 0.39 -0.36 0.00 0.00 175.35 177.69 1ust n GLU 126 N -1.51 1.58 -0.03 4.03 1.02 -1.26 -4.44 120.64 120.02 1ust n GLU 126 Ca 0.10 -0.95 -0.14 0.00 -0.02 0.00 0.00 57.16 56.16 1ust n GLU 126 Cb 0.52 -2.06 -0.11 0.00 -0.02 0.00 0.00 31.44 29.77 1ust n GLU 126 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1ust h LYS 127 N 5.00 0.08 0.00 3.49 1.63 -1.89 -3.47 116.57 121.41 1ust h LYS 127 Ca 0.27 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1ust h LYS 127 Cb 0.62 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1ust h LYS 127 CO 0.78 0.75 0.00 -1.91 -3.45 0.00 0.00 179.45 175.62 1ust n GLU 128 N -4.67 0.00 0.00 1.90 2.13 -1.26 -4.61 120.64 114.12 1ust n GLU 128 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1ust n GLU 128 Cb 0.38 -0.28 0.00 0.00 0.27 0.00 0.00 31.44 31.82 1ust n GLU 128 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ust n VAL 129 N 0.00 0.00 -0.46 6.31 0.31 -1.26 -4.87 118.33 118.36 1ust n VAL 129 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ust n VAL 129 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ust n VAL 129 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31