#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eef s PRO 2 N 0.00 2.16 -0.01 0.00 0.04 -1.26 -4.95 135.00 130.98 1eef s PRO 2 Ca 0.00 1.91 0.12 0.00 0.04 0.00 0.00 61.00 63.07 1eef s PRO 2 Cb 0.00 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.57 1eef s PRO 2 CO 0.00 -1.86 0.43 1.04 0.04 0.00 0.00 177.00 176.65 1eef n GLN 3 N -2.53 2.10 -4.23 4.56 6.02 -1.26 -4.96 117.38 117.07 1eef n GLN 3 Ca 0.15 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.97 1eef n GLN 3 Cb 0.49 -1.15 -0.10 0.00 1.02 0.00 0.00 30.24 30.50 1eef n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1eef s THR 4 N -2.39 0.52 0.20 5.09 -4.23 -1.26 -5.05 115.64 108.51 1eef s THR 4 Ca 0.01 -1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 58.49 1eef s THR 4 Cb 0.09 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.78 1eef s THR 4 CO 0.50 -0.40 1.61 -0.29 -0.54 0.00 0.00 174.62 175.50 1eef h ILE 5 N 2.69 1.27 -0.46 2.99 2.10 -1.96 -1.18 117.51 122.95 1eef h ILE 5 Ca -0.36 -1.31 -0.05 0.00 1.08 0.00 0.00 64.86 64.21 1eef h ILE 5 Cb 1.21 1.11 -0.02 0.00 -1.09 0.00 0.00 36.82 38.03 1eef h ILE 5 CO 0.61 0.45 0.10 0.74 -1.08 0.00 0.00 178.15 178.97 1eef h THR 6 N 0.78 1.24 -0.33 2.19 2.02 -1.98 0.28 112.91 117.11 1eef h THR 6 Ca 0.11 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1eef h THR 6 Cb 0.72 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1eef h THR 6 CO 0.06 0.30 0.19 -0.08 0.37 0.00 0.00 175.52 176.36 1eef h GLU 7 N 0.63 0.44 -0.35 6.66 4.81 -1.94 -1.46 114.58 123.38 1eef h GLU 7 Ca 0.14 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1eef h GLU 7 Cb 0.35 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1eef h GLU 7 CO 0.00 0.34 0.14 1.25 -0.73 0.00 0.00 179.01 180.01 1eef h LEU 8 N 0.42 0.48 -0.90 1.64 6.46 -0.95 -3.07 115.31 119.39 1eef h LEU 8 Ca 0.12 -0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1eef h LEU 8 Cb 0.02 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 39.77 1eef h LEU 8 CO -0.02 0.52 0.59 0.00 -0.62 0.00 0.00 178.44 178.91 1eef n SER 10 N -4.48 0.00 0.03 0.00 7.64 -0.57 -1.79 113.62 114.45 1eef n SER 10 Ca 0.11 0.03 0.13 0.00 1.01 0.00 0.00 58.87 60.14 1eef n SER 10 Cb 0.04 -0.20 0.33 0.00 -1.01 0.00 0.00 64.21 63.37 1eef n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1eef n GLU 11 N -1.20 0.13 -4.75 1.43 1.02 -0.75 -4.90 120.64 111.62 1eef n GLU 11 Ca 0.05 0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.93 1eef n GLU 11 Cb 0.06 -1.60 -0.13 0.00 -0.02 0.00 0.00 31.44 29.75 1eef n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1eef s TYR 12 N -3.07 2.65 0.76 -0.32 1.51 -0.74 -5.12 117.35 113.03 1eef s TYR 12 Ca 0.10 -0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.86 1eef s TYR 12 Cb 0.16 -1.55 0.05 0.00 -0.11 0.00 0.00 41.96 40.50 1eef s TYR 12 CO 0.66 0.23 1.08 1.03 -1.11 0.00 0.00 175.55 177.44 1eef s ARG 13 N -1.12 2.38 -1.58 -0.62 0.52 -1.26 -3.72 118.95 113.55 1eef s ARG 13 Ca 0.14 1.02 0.00 0.00 -0.52 0.00 0.00 55.73 56.37 1eef s ARG 13 Cb -0.11 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1eef s ARG 13 CO 0.03 -1.51 0.00 0.09 0.02 0.00 0.00 175.30 173.93 1eef n ASN 14 N -3.42 -4.69 -4.78 0.23 3.02 -1.26 -4.95 115.26 99.41 1eef n ASN 14 Ca 0.08 0.23 -0.24 0.00 -0.03 0.00 0.00 54.58 54.62 1eef n ASN 14 Cb 0.54 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 35.58 1eef n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1eef s THR 15 N -2.65 2.34 -0.17 3.41 -4.23 -1.24 -0.33 115.64 112.77 1eef s THR 15 Ca 0.00 -1.61 -0.28 0.00 -1.18 0.00 0.00 61.69 58.62 1eef s THR 15 Cb 0.00 -2.95 0.08 0.00 1.34 0.00 0.00 72.50 70.97 1eef s THR 15 CO 0.00 0.00 0.76 -1.58 -0.54 0.00 0.00 174.62 173.26 1eef s GLN 16 N -3.97 0.87 -0.05 3.99 0.74 0.14 -4.84 119.66 116.54 1eef s GLN 16 Ca 0.42 0.57 -0.14 0.00 0.05 0.00 0.00 55.36 56.27 1eef s GLN 16 Cb 0.02 0.42 -0.05 0.00 1.10 0.00 0.00 33.01 34.50 1eef s GLN 16 CO 0.23 -0.20 0.35 0.42 -0.55 0.00 0.00 175.29 175.55 1eef s ILE 17 N -0.42 5.15 -0.12 -2.34 -1.09 -1.26 0.13 121.20 121.24 1eef s ILE 17 Ca -0.04 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 1eef s ILE 17 Cb -0.03 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1eef s ILE 17 CO 0.04 0.55 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.87 1eef s TYR 18 N -0.78 1.85 -0.53 3.97 2.02 0.14 -4.96 117.35 119.06 1eef s TYR 18 Ca 0.22 -0.96 -0.24 0.00 -0.37 0.00 0.00 57.07 55.71 1eef s TYR 18 Cb -0.15 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.04 1eef s TYR 18 CO 0.11 -0.56 0.93 0.99 -1.57 0.00 0.00 175.55 175.44 1eef s THR 19 N 1.45 4.42 -0.14 -0.71 2.01 -1.26 -0.84 115.64 120.57 1eef s THR 19 Ca 0.02 0.35 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 1eef s THR 19 Cb -0.13 -4.51 -0.09 0.00 0.01 0.00 0.00 72.50 67.78 1eef s THR 19 CO -0.08 -1.04 0.15 0.40 -0.69 0.00 0.00 174.62 173.36 1eef h ILE 20 N 6.03 0.53 -6.74 1.82 1.08 -0.51 -3.48 117.51 116.23 1eef h ILE 20 Ca -0.26 -1.48 -0.55 0.00 -0.39 0.00 0.00 64.86 62.18 1eef h ILE 20 Cb 1.07 1.08 -0.08 0.00 -3.07 0.00 0.00 36.82 35.82 1eef h ILE 20 CO 1.07 0.18 -0.94 -3.20 -0.69 0.00 0.00 178.15 174.57 1eef n ASN 21 N -4.64 -1.13 -3.49 1.72 4.05 0.14 -4.94 115.26 106.98 1eef n ASN 21 Ca -0.10 -1.15 -0.09 0.00 0.45 0.00 0.00 54.58 53.69 1eef n ASN 21 Cb 0.29 -2.36 -0.02 0.00 1.23 0.00 0.00 39.78 38.92 1eef n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1eef s ASP 22 N -4.13 -0.41 0.68 1.20 2.15 -0.75 -4.90 116.67 110.51 1eef s ASP 22 Ca 0.14 -0.00 -0.11 0.00 0.43 0.00 0.00 52.55 53.02 1eef s ASP 22 Cb -0.07 0.43 0.00 0.00 -0.30 0.00 0.00 42.92 42.99 1eef s ASP 22 CO 0.94 -0.70 1.06 -1.59 -0.17 0.00 0.00 175.17 174.71 1eef s LYS 23 N -3.25 3.00 0.20 4.34 -2.85 -1.26 -0.54 119.74 119.37 1eef s LYS 23 Ca 0.04 0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 55.16 1eef s LYS 23 Cb -0.01 -2.06 -0.08 0.00 -2.06 0.00 0.00 37.83 33.61 1eef s LYS 23 CO -0.10 -0.91 1.23 0.42 0.10 0.00 0.00 175.35 176.09 1eef s ILE 24 N -3.28 3.43 -0.10 3.79 1.01 -1.26 -4.74 121.20 120.05 1eef s ILE 24 Ca 0.57 1.21 -0.20 0.00 0.00 0.00 0.00 60.65 62.23 1eef s ILE 24 Cb -0.11 -3.77 -0.28 0.00 0.01 0.00 0.00 42.46 38.31 1eef s ILE 24 CO 0.51 0.20 0.66 0.25 0.00 0.00 0.00 174.94 176.56 1eef h LEU 25 N 5.15 0.33 -7.81 2.97 5.85 -1.14 -3.48 115.31 117.18 1eef h LEU 25 Ca -0.45 -0.87 -0.17 0.00 0.84 0.00 0.00 57.88 57.23 1eef h LEU 25 Cb 1.21 -0.11 -0.22 0.00 0.37 0.00 0.00 40.66 41.92 1eef h LEU 25 CO 0.75 1.46 -0.59 -0.94 -0.34 0.00 0.00 178.44 178.78 1eef s SER 26 N -6.90 0.08 -0.08 1.25 1.04 -1.13 -4.98 113.70 102.99 1eef s SER 26 Ca -0.18 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.04 1eef s SER 26 Cb 0.02 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1eef s SER 26 CO 0.76 -0.28 -0.19 -0.47 0.98 0.00 0.00 173.24 174.05 1eef s TYR 27 N -1.14 2.01 -0.04 5.02 6.14 -1.26 -1.78 117.35 126.30 1eef s TYR 27 Ca -0.12 -0.75 0.03 0.00 0.64 0.00 0.00 57.07 56.86 1eef s TYR 27 Cb -0.07 -1.38 0.01 0.00 0.42 0.00 0.00 41.96 40.94 1eef s TYR 27 CO 0.00 -0.31 -0.10 0.99 0.64 0.00 0.00 175.55 176.77 1eef s THR 28 N 0.38 0.89 -0.04 4.34 2.01 0.24 -4.99 115.64 118.47 1eef s THR 28 Ca -0.14 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1eef s THR 28 Cb -0.16 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.56 1eef s THR 28 CO 0.06 0.28 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.50 1eef s GLU 29 N 0.33 0.97 -0.02 4.92 2.12 -1.26 -0.09 118.70 125.66 1eef s GLU 29 Ca -0.06 -0.19 0.05 0.00 0.36 0.00 0.00 54.97 55.13 1eef s GLU 29 Cb -0.11 -0.91 -0.01 0.00 0.26 0.00 0.00 34.13 33.36 1eef s GLU 29 CO 0.01 -0.02 -0.17 0.45 -0.54 0.00 0.00 175.26 174.99 1eef s SER 30 N 0.69 2.06 -0.01 -1.70 0.15 0.34 -4.99 113.70 110.24 1eef s SER 30 Ca -0.10 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.29 1eef s SER 30 Cb -0.13 -0.36 0.18 0.00 -1.71 0.00 0.00 66.02 63.99 1eef s SER 30 CO 0.01 0.19 1.15 1.15 1.20 0.00 0.00 173.24 176.93 1eef n MET 31 N 2.85 2.88 -1.92 5.44 0.00 -1.26 -2.22 117.12 122.88 1eef n MET 31 Ca -0.16 -1.85 -0.41 0.00 0.00 0.00 0.00 57.70 55.28 1eef n MET 31 Cb 0.54 -1.18 -0.01 0.00 0.00 0.00 0.00 33.22 32.57 1eef n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1eef s ALA 32 N -1.13 3.55 0.13 3.17 0.00 -1.26 -4.81 121.76 121.42 1eef s ALA 32 Ca 0.14 1.45 -0.35 0.00 0.00 0.00 0.00 51.96 53.20 1eef s ALA 32 Cb 0.08 -3.56 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 1eef s ALA 32 CO 0.08 -0.89 1.45 0.41 0.00 0.00 0.00 175.76 176.81 1eef n GLY 33 N 0.69 0.79 3.57 0.00 0.00 -1.26 -0.79 105.19 108.19 1eef n GLY 33 Ca 0.01 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1eef n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eef n LYS 34 N 2.90 0.00 -1.89 1.61 4.76 -1.26 -4.78 118.16 119.49 1eef n LYS 34 Ca 0.17 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.52 1eef n LYS 34 Cb 0.25 -2.83 0.06 0.00 -1.84 0.00 0.00 35.03 30.67 1eef n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1eef n ARG 35 N -2.00 2.38 -2.30 1.97 5.12 0.03 -4.96 116.66 116.90 1eef n ARG 35 Ca 0.00 -3.61 -0.38 0.00 -1.93 0.00 0.00 57.85 51.92 1eef n ARG 35 Cb 0.00 -1.75 -0.03 0.00 -1.16 0.00 0.00 32.46 29.52 1eef n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1eef s GLU 36 N -3.20 2.96 0.36 5.56 8.01 -1.11 -4.39 118.70 126.88 1eef s GLU 36 Ca 0.41 -0.05 -0.10 0.00 0.01 0.00 0.00 54.97 55.24 1eef s GLU 36 Cb 0.38 -4.52 0.03 0.00 -4.31 0.00 0.00 34.13 25.71 1eef s GLU 36 CO -0.02 -2.52 0.64 0.00 0.01 0.00 0.00 175.26 173.36 1eef s MET 37 N 6.27 2.05 0.01 1.61 0.23 -0.94 -4.23 119.30 124.30 1eef s MET 37 Ca 0.52 -1.55 0.04 0.00 -1.03 0.00 0.00 55.69 53.67 1eef s MET 37 Cb -0.08 0.54 -0.01 0.00 -1.53 0.00 0.00 34.83 33.74 1eef s MET 37 CO 0.12 -0.91 -0.13 0.08 -2.03 0.00 0.00 175.02 172.15 1eef s VAL 38 N -2.78 1.01 -0.02 5.16 1.01 -1.24 -0.50 120.40 123.04 1eef s VAL 38 Ca 0.22 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1eef s VAL 38 Cb -0.03 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 1eef s VAL 38 CO 0.15 0.14 -0.09 -0.63 0.00 0.00 0.00 175.10 174.66 1eef s ILE 39 N -0.56 0.79 0.15 2.22 1.01 0.87 -1.64 121.20 124.04 1eef s ILE 39 Ca 0.03 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.36 1eef s ILE 39 Cb -0.06 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1eef s ILE 39 CO 0.00 0.24 -0.15 0.27 0.00 0.00 0.00 174.94 175.30 1eef s ILE 40 N 0.03 1.55 0.11 2.92 -4.36 0.37 -0.60 121.20 121.22 1eef s ILE 40 Ca -0.00 -1.89 -0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1eef s ILE 40 Cb -0.07 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 1eef s ILE 40 CO 0.00 -0.44 0.01 0.42 0.24 0.00 0.00 174.94 175.17 1eef s THR 41 N -2.33 0.32 0.14 8.37 -4.23 -0.73 -0.72 115.64 116.46 1eef s THR 41 Ca 0.14 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 58.81 1eef s THR 41 Cb -0.04 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1eef s THR 41 CO 0.05 -0.66 -0.13 -0.36 -0.54 0.00 0.00 174.62 172.97 1eef s PHE 42 N -3.88 1.40 0.54 3.99 0.08 -0.24 -0.50 117.98 119.37 1eef s PHE 42 Ca 0.18 -0.62 0.31 0.00 0.12 0.00 0.00 56.93 56.92 1eef s PHE 42 Cb 0.07 -0.71 1.47 0.00 -0.57 0.00 0.00 43.02 43.28 1eef s PHE 42 CO -0.02 0.16 1.90 -0.22 -0.10 0.00 0.00 175.22 176.94 1eef h LYS 43 N 3.15 0.00 0.00 0.44 3.64 -1.88 0.19 116.57 122.10 1eef h LYS 43 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1eef h LYS 43 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1eef h LYS 43 CO 0.56 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.40 1eef h SER 44 N 0.00 0.00 0.00 4.20 4.64 -1.97 -3.45 113.55 116.97 1eef h SER 44 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1eef h SER 44 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1eef h SER 44 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1eef n GLY 45 N -0.85 1.62 3.77 -0.77 0.00 0.65 -5.07 105.19 104.55 1eef n GLY 45 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1eef n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1eef s GLU 46 N -0.80 4.07 -0.03 1.61 0.41 -1.25 -4.81 118.70 117.89 1eef s GLU 46 Ca 0.00 1.92 0.03 0.00 -0.41 0.00 0.00 54.97 56.51 1eef s GLU 46 Cb 0.00 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 29.62 1eef s GLU 46 CO 0.00 -0.33 -0.11 0.99 -0.49 0.00 0.00 175.26 175.31 1eef s THR 47 N -1.36 0.97 0.08 3.63 2.01 -1.26 -1.08 115.64 118.63 1eef s THR 47 Ca 0.56 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1eef s THR 47 Cb -0.33 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1eef s THR 47 CO 0.41 0.29 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.23 1eef s PHE 48 N 0.12 0.72 0.11 4.92 0.08 0.10 -4.01 117.98 120.01 1eef s PHE 48 Ca -0.03 -0.99 0.04 0.00 0.12 0.00 0.00 56.93 56.08 1eef s PHE 48 Cb -0.09 -0.46 -0.04 0.00 -0.57 0.00 0.00 43.02 41.87 1eef s PHE 48 CO 0.01 -0.26 -0.10 1.14 -0.10 0.00 0.00 175.22 175.91 1eef s GLN 49 N -3.86 0.92 -0.33 0.44 -2.07 -0.47 -0.48 119.66 113.80 1eef s GLN 49 Ca 0.09 -1.25 -0.09 0.00 -1.82 0.00 0.00 55.36 52.29 1eef s GLN 49 Cb 0.06 -0.56 0.02 0.00 -1.09 0.00 0.00 33.01 31.44 1eef s GLN 49 CO -0.07 0.08 0.14 0.08 -1.32 0.00 0.00 175.29 174.20 1eef s VAL 50 N -2.73 4.28 0.74 3.63 1.01 -0.65 -0.73 120.40 125.95 1eef s VAL 50 Ca 0.09 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1eef s VAL 50 Cb -0.01 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 33.12 1eef s VAL 50 CO 0.00 -0.06 1.24 -1.61 0.00 0.00 0.00 175.10 174.66 1eef s GLU 51 N 1.53 2.01 0.39 2.72 2.02 -1.26 -3.66 118.70 122.45 1eef s GLU 51 Ca 0.02 1.86 -0.27 0.00 0.02 0.00 0.00 54.97 56.61 1eef s GLU 51 Cb -0.18 -1.81 -0.09 0.00 0.10 0.00 0.00 34.13 32.15 1eef s GLU 51 CO 0.05 -1.96 1.31 0.08 0.02 0.00 0.00 175.26 174.76 1eef s VAL 52 N -1.87 2.63 0.10 2.63 1.01 -1.26 -4.90 120.40 118.73 1eef s VAL 52 Ca 0.76 0.58 -0.31 0.00 0.00 0.00 0.00 61.98 63.01 1eef s VAL 52 Cb -0.32 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 1eef s VAL 52 CO 0.46 0.10 1.76 -2.84 0.00 0.00 0.00 175.10 174.57 1eef s PRO 53 N -2.15 4.16 0.20 2.72 0.02 -1.26 -4.96 135.00 133.74 1eef s PRO 53 Ca 0.55 2.49 0.04 0.00 0.02 0.00 0.00 61.00 64.10 1eef s PRO 53 Cb -0.39 -3.60 -0.02 0.00 0.02 0.00 0.00 34.50 30.52 1eef s PRO 53 CO 0.50 -0.80 0.15 0.41 -0.33 0.00 0.00 177.00 176.93 1eef n GLY 54 N 4.14 3.43 0.33 0.52 0.00 -1.26 -5.03 105.19 107.31 1eef n GLY 54 Ca 0.17 -1.85 0.16 0.00 0.00 0.00 0.00 46.02 44.50 1eef n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1eef h SER 55 N 1.14 0.00 0.66 1.61 4.64 -2.03 0.24 113.55 119.80 1eef h SER 55 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1eef h SER 55 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1eef h SER 55 CO 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 1eef n GLN 56 N -3.96 0.12 -3.65 4.77 0.00 -1.26 -4.76 117.38 108.63 1eef n GLN 56 Ca 0.01 0.34 -0.33 0.00 0.00 0.00 0.00 57.00 57.02 1eef n GLN 56 Cb 0.30 -1.72 -0.05 0.00 0.00 0.00 0.00 30.24 28.77 1eef n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1eef s HIS 57 N -3.18 3.54 0.35 2.61 3.76 0.07 -5.10 115.29 117.34 1eef s HIS 57 Ca 0.06 0.65 0.02 0.00 -0.15 0.00 0.00 55.06 55.63 1eef s HIS 57 Cb 0.10 -2.06 -0.02 0.00 1.11 0.00 0.00 32.58 31.70 1eef s HIS 57 CO 0.35 0.51 0.54 0.96 -0.85 0.00 0.00 174.74 176.24 1eef s ILE 58 N -1.47 4.79 0.27 0.60 -4.36 -1.26 -4.93 121.20 114.84 1eef s ILE 58 Ca 0.35 -0.61 -0.00 0.00 -0.26 0.00 0.00 60.65 60.13 1eef s ILE 58 Cb -0.13 -3.73 0.25 0.00 1.25 0.00 0.00 42.46 40.09 1eef s ILE 58 CO 0.20 -0.44 1.76 0.44 0.24 0.00 0.00 174.94 177.14 1eef h ASP 59 N 0.76 0.53 0.00 4.36 5.19 -1.98 0.96 116.42 126.23 1eef h ASP 59 Ca -0.49 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1eef h ASP 59 Cb 1.23 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1eef h ASP 59 CO 0.60 0.21 0.02 0.77 -3.12 0.00 0.00 179.24 177.72 1eef h SER 60 N 0.62 0.00 1.16 6.45 4.64 -2.05 -0.32 113.55 124.05 1eef h SER 60 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1eef h SER 60 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1eef h SER 60 CO -0.38 0.00 -0.52 1.56 -0.87 0.00 0.00 176.83 176.63 1eef h GLN 61 N 0.00 0.00 -0.39 4.77 4.20 -1.18 -3.39 115.11 119.13 1eef h GLN 61 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1eef h GLN 61 Cb 0.04 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.75 1eef h GLN 61 CO 0.00 0.00 -0.51 -0.22 -0.67 0.00 0.00 178.83 177.43 1eef h LYS 62 N 0.00 -0.34 -0.07 1.46 3.11 -1.08 0.41 116.57 120.07 1eef h LYS 62 Ca 0.00 0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.77 1eef h LYS 62 Cb 0.84 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.13 1eef h LYS 62 CO 0.00 -0.22 -0.39 0.87 -2.81 0.00 0.00 179.45 176.89 1eef h LYS 63 N -0.35 0.15 -0.71 1.90 1.57 -1.77 -3.08 116.57 114.27 1eef h LYS 63 Ca 0.07 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1eef h LYS 63 Cb 0.53 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1eef h LYS 63 CO -0.55 0.52 0.35 0.00 -0.57 0.00 0.00 179.45 179.20 1eef h ALA 64 N 1.48 0.92 -0.13 3.86 0.00 -1.51 0.32 119.26 124.20 1eef h ALA 64 Ca 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1eef h ALA 64 Cb 0.75 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1eef h ALA 64 CO 0.06 0.47 0.08 0.82 0.00 0.00 0.00 179.25 180.68 1eef h ILE 65 N 0.99 1.07 -0.85 0.00 2.04 -0.87 -0.29 117.51 119.60 1eef h ILE 65 Ca 0.25 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1eef h ILE 65 Cb 0.11 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1eef h ILE 65 CO -0.03 0.06 0.53 -0.33 0.00 0.00 0.00 178.15 178.38 1eef h GLU 66 N 0.14 1.15 -0.36 2.37 4.39 -1.40 -2.54 114.58 118.32 1eef h GLU 66 Ca 0.05 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1eef h GLU 66 Cb 0.03 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1eef h GLU 66 CO -0.01 0.79 0.06 -0.09 -1.16 0.00 0.00 179.01 178.59 1eef h ARG 67 N 1.17 0.59 -0.97 2.33 2.43 -0.51 -0.88 114.38 118.55 1eef h ARG 67 Ca 0.31 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1eef h ARG 67 Cb -0.08 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.34 1eef h ARG 67 CO -0.06 0.67 0.63 1.98 -1.51 0.00 0.00 179.97 181.67 1eef h MET 68 N 0.43 1.18 -0.53 0.20 4.05 -0.79 0.27 114.93 119.74 1eef h MET 68 Ca 0.11 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.36 1eef h MET 68 Cb 0.36 -0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1eef h MET 68 CO 0.01 0.78 -0.06 0.87 0.23 0.00 0.00 176.91 178.73 1eef h LYS 69 N 1.21 0.96 -0.53 0.39 1.57 -1.12 -0.04 116.57 119.01 1eef h LYS 69 Ca 0.39 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1eef h LYS 69 Cb 0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1eef h LYS 69 CO -0.13 0.98 0.30 -0.44 -0.57 0.00 0.00 179.45 179.59 1eef h ASP 70 N 0.86 0.65 -0.42 0.86 3.32 0.22 -2.04 116.42 119.86 1eef h ASP 70 Ca 0.15 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1eef h ASP 70 Cb 0.60 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1eef h ASP 70 CO 0.04 0.54 0.28 0.74 -1.72 0.00 0.00 179.24 179.11 1eef h THR 71 N 0.70 1.11 -0.58 0.35 2.02 -0.03 -2.24 112.91 114.24 1eef h THR 71 Ca 0.19 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 1eef h THR 71 Cb 0.03 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1eef h THR 71 CO -0.03 0.11 0.09 -0.07 0.37 0.00 0.00 175.52 175.99 1eef h LEU 72 N 0.57 0.89 -0.27 2.58 3.38 -0.78 -0.49 115.31 121.20 1eef h LEU 72 Ca 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1eef h LEU 72 Cb -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1eef h LEU 72 CO -0.03 0.90 0.07 -0.09 0.09 0.00 0.00 178.44 179.38 1eef h ARG 73 N 0.88 0.42 -0.23 1.13 2.43 -1.12 -0.62 114.38 117.27 1eef h ARG 73 Ca 0.18 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1eef h ARG 73 Cb 0.39 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1eef h ARG 73 CO 0.01 0.50 -0.38 0.97 -1.51 0.00 0.00 179.97 179.56 1eef h ILE 74 N 0.26 1.30 -0.61 1.20 6.09 -1.24 -1.44 117.51 123.07 1eef h ILE 74 Ca 0.08 -1.52 -0.06 0.00 -1.37 0.00 0.00 64.86 61.99 1eef h ILE 74 Cb 0.26 1.53 -0.02 0.00 0.47 0.00 0.00 36.82 39.06 1eef h ILE 74 CO -0.00 0.48 0.13 0.74 -3.07 0.00 0.00 178.15 176.43 1eef h THR 75 N 0.44 1.25 0.47 2.19 2.02 -1.00 -1.00 112.91 117.28 1eef h THR 75 Ca 0.04 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 1eef h THR 75 Cb 0.86 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1eef h THR 75 CO 0.07 0.35 -0.22 0.22 0.37 0.00 0.00 175.52 176.31 1eef h TYR 76 N 0.89 -0.58 -0.64 3.16 3.20 -0.76 -1.11 116.97 121.13 1eef h TYR 76 Ca 0.19 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.13 1eef h TYR 76 Cb 0.38 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 1eef h TYR 76 CO 0.03 -0.31 0.42 -0.07 -1.64 0.00 0.00 178.16 176.59 1eef h LEU 77 N -0.73 0.46 -0.80 2.82 3.38 -1.11 -0.64 115.31 118.69 1eef h LEU 77 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1eef h LEU 77 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1eef h LEU 77 CO 0.11 0.28 -0.14 0.35 0.09 0.00 0.00 178.44 179.13 1eef n THR 78 N -4.48 0.00 -2.92 0.22 -2.24 -0.39 -4.94 114.28 99.53 1eef n THR 78 Ca 0.10 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 1eef n THR 78 Cb 0.33 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 69.12 1eef n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1eef n GLU 79 N -0.16 -4.24 -2.47 -0.78 1.02 -0.25 -4.94 120.64 108.83 1eef n GLU 79 Ca 0.15 0.90 -0.41 0.00 -0.02 0.00 0.00 57.16 57.79 1eef n GLU 79 Cb 0.37 -5.73 -0.04 0.00 -0.02 0.00 0.00 31.44 26.02 1eef n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1eef s THR 80 N -3.14 3.60 0.09 2.62 2.01 -0.62 -4.81 115.64 115.40 1eef s THR 80 Ca 0.25 1.50 -0.31 0.00 0.31 0.00 0.00 61.69 63.44 1eef s THR 80 Cb -0.11 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.37 1eef s THR 80 CO 0.31 0.31 1.32 -0.54 -0.69 0.00 0.00 174.62 175.33 1eef s LYS 81 N -0.94 4.36 -0.05 4.92 1.02 -1.26 -4.38 119.74 123.41 1eef s LYS 81 Ca 0.47 1.96 -0.15 0.00 0.02 0.00 0.00 55.97 58.28 1eef s LYS 81 Cb -0.31 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1eef s LYS 81 CO 0.39 -0.37 0.38 0.42 -0.92 0.00 0.00 175.35 175.25 1eef s ILE 82 N 1.10 5.13 0.00 2.17 1.01 0.30 -4.45 121.20 126.46 1eef s ILE 82 Ca 0.62 0.77 0.00 0.00 0.00 0.00 0.00 60.65 62.04 1eef s ILE 82 Cb -0.34 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1eef s ILE 82 CO 0.30 0.51 0.00 -0.67 0.00 0.00 0.00 174.94 175.08 1eef n ASP 83 N 2.40 0.00 -4.41 3.58 2.03 -0.08 0.28 116.55 120.36 1eef n ASP 83 Ca -0.13 0.13 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1eef n ASP 83 Cb 0.52 -0.21 -0.10 0.00 -0.72 0.00 0.00 41.12 40.61 1eef n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1eef s LYS 84 N -0.42 1.50 -0.04 -0.67 1.02 -1.15 0.15 119.74 120.12 1eef s LYS 84 Ca 0.00 -1.68 0.01 0.00 0.02 0.00 0.00 55.97 54.32 1eef s LYS 84 Cb 0.00 -1.41 0.02 0.00 -0.52 0.00 0.00 37.83 35.92 1eef s LYS 84 CO 0.00 0.24 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.13 1eef s LEU 85 N -3.41 1.29 -0.26 3.17 1.43 -0.02 -1.61 118.68 119.27 1eef s LEU 85 Ca 0.26 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1eef s LEU 85 Cb -0.02 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.72 1eef s LEU 85 CO 0.11 -0.06 0.17 0.00 0.23 0.00 0.00 176.35 176.80 1eef s VAL 87 N 1.44 1.27 -0.09 0.00 -7.23 0.12 -0.28 120.40 115.63 1eef s VAL 87 Ca 0.07 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.08 1eef s VAL 87 Cb -0.15 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1eef s VAL 87 CO 0.08 -0.63 0.53 0.26 -0.31 0.00 0.00 175.10 175.03 1eef s TRP 88 N -2.91 3.56 -1.66 2.82 0.51 0.81 0.24 118.94 122.30 1eef s TRP 88 Ca 0.15 1.01 0.20 0.00 -2.12 0.00 0.00 56.10 55.34 1eef s TRP 88 Cb -0.00 -2.60 0.67 0.00 -0.81 0.00 0.00 33.47 30.73 1eef s TRP 88 CO 0.02 0.20 1.57 0.27 -0.51 0.00 0.00 176.95 178.50 1eef n ASN 89 N 3.48 4.20 -2.09 2.95 0.23 0.55 -1.93 115.26 122.65 1eef n ASN 89 Ca -0.06 -2.18 -0.11 0.00 -0.53 0.00 0.00 54.58 51.70 1eef n ASN 89 Cb 0.51 -0.52 0.27 0.00 -2.08 0.00 0.00 39.78 37.96 1eef n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1eef n ASN 90 N 1.42 4.56 -4.00 0.53 6.94 -1.26 -4.89 115.26 118.55 1eef n ASN 90 Ca 0.25 -3.33 -0.10 0.00 -0.02 0.00 0.00 54.58 51.38 1eef n ASN 90 Cb 0.72 -0.78 -0.11 0.00 -2.36 0.00 0.00 39.78 37.25 1eef n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1eef s LYS 91 N -3.07 0.37 -0.15 -3.83 -0.14 -1.26 -5.08 119.74 106.57 1eef s LYS 91 Ca 0.56 -0.67 -0.00 0.00 -1.36 0.00 0.00 55.97 54.49 1eef s LYS 91 Cb 0.45 0.04 0.03 0.00 -1.68 0.00 0.00 37.83 36.67 1eef s LYS 91 CO 0.13 -0.03 -0.09 0.99 -0.76 0.00 0.00 175.35 175.58 1eef s THR 92 N -1.59 1.29 0.97 2.17 2.01 -1.26 -2.55 115.64 116.68 1eef s THR 92 Ca -0.14 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.17 1eef s THR 92 Cb -0.09 -1.33 0.17 0.00 0.01 0.00 0.00 72.50 71.27 1eef s THR 92 CO -0.01 0.31 1.11 -2.16 -0.69 0.00 0.00 174.62 173.17 1eef s PRO 93 N 1.58 0.65 0.34 4.92 0.04 -1.26 -5.07 135.00 136.21 1eef s PRO 93 Ca 0.03 0.45 -0.27 0.00 0.04 0.00 0.00 61.00 61.25 1eef s PRO 93 Cb -0.14 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 1eef s PRO 93 CO -0.09 -2.56 1.17 0.09 0.04 0.00 0.00 177.00 175.65 1eef n ASN 94 N -4.05 2.11 -4.70 6.66 5.03 -1.06 -4.55 115.26 114.71 1eef n ASN 94 Ca 0.06 1.17 -0.37 0.00 0.87 0.00 0.00 54.58 56.31 1eef n ASN 94 Cb 0.58 -1.41 -0.08 0.00 -1.02 0.00 0.00 39.78 37.85 1eef n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1eef s SER 95 N -0.46 6.34 -0.11 6.41 0.15 -0.81 -1.37 113.70 123.85 1eef s SER 95 Ca 0.58 0.39 -0.29 0.00 0.70 0.00 0.00 55.95 57.32 1eef s SER 95 Cb -0.60 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 1eef s SER 95 CO 0.61 0.05 1.45 -0.63 1.20 0.00 0.00 173.24 175.92 1eef s ILE 96 N 0.82 3.94 -0.25 6.45 1.01 0.10 -0.14 121.20 133.13 1eef s ILE 96 Ca 0.14 1.14 0.03 0.00 0.00 0.00 0.00 60.65 61.96 1eef s ILE 96 Cb -0.13 -3.73 -0.18 0.00 0.01 0.00 0.00 42.46 38.42 1eef s ILE 96 CO 0.04 -0.10 -0.18 0.00 0.00 0.00 0.00 174.94 174.71 1eef n ALA 97 N 6.85 1.42 -3.29 9.38 0.00 0.61 -4.87 120.51 130.61 1eef n ALA 97 Ca 0.15 -1.10 -0.10 0.00 0.00 0.00 0.00 53.44 52.39 1eef n ALA 97 Cb 0.44 -0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.72 1eef n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1eef s ALA 98 N -2.52 -1.07 -0.00 0.00 0.00 -0.90 -4.97 121.76 112.30 1eef s ALA 98 Ca -0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1eef s ALA 98 Cb 0.09 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 1eef s ALA 98 CO 0.62 -0.78 0.03 -1.50 0.00 0.00 0.00 175.76 174.14 1eef s ILE 99 N -3.84 0.05 0.03 0.00 2.07 -1.26 -1.48 121.20 116.76 1eef s ILE 99 Ca 0.07 -0.42 0.03 0.00 -1.41 0.00 0.00 60.65 58.92 1eef s ILE 99 Cb -0.01 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.38 1eef s ILE 99 CO -0.06 -0.23 -0.10 -0.94 -1.91 0.00 0.00 174.94 171.70 1eef s SER 100 N -0.70 1.16 0.00 4.50 1.04 -0.64 -5.00 113.70 114.06 1eef s SER 100 Ca -0.08 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1eef s SER 100 Cb -0.05 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 1eef s SER 100 CO -0.00 -0.02 -0.02 -0.04 0.98 0.00 0.00 173.24 174.13 1eef s MET 101 N -0.98 0.20 0.05 4.02 -1.94 -1.26 -0.90 119.30 118.49 1eef s MET 101 Ca -0.02 -0.13 0.03 0.00 -1.71 0.00 0.00 55.69 53.86 1eef s MET 101 Cb -0.07 -0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.59 1eef s MET 101 CO 0.01 0.04 -0.10 0.21 -0.01 0.00 0.00 175.02 175.17 1eef s LYS 102 N -0.19 0.62 0.00 2.03 2.20 -1.26 -4.92 119.74 118.22 1eef s LYS 102 Ca -0.01 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1eef s LYS 102 Cb -0.02 -0.44 0.00 0.00 -1.51 0.00 0.00 37.83 35.86 1eef s LYS 102 CO -0.00 0.09 0.00 -1.71 -0.36 0.00 0.00 175.35 173.36