#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 2.43 0.00 0.00 0.04 -1.26 -4.96 135.00 131.24 1eef s PRO 2 Ca 0.00 1.68 0.13 0.00 0.04 0.00 0.00 61.00 62.85 1eef s PRO 2 Cb 0.00 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1eef s PRO 2 CO 0.00 -1.60 0.60 1.04 0.04 0.00 0.00 177.00 177.08 1eef n GLN 3 N -2.47 2.59 -3.99 4.56 6.02 -1.26 -4.97 117.38 117.85 1eef n GLN 3 Ca 0.13 -0.23 -0.08 0.00 -0.01 0.00 0.00 57.00 56.81 1eef n GLN 3 Cb 0.51 -1.11 -0.09 0.00 1.02 0.00 0.00 30.24 30.57 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 -1.99 0.16 0.33 5.09 -4.23 -1.26 -5.05 115.64 108.70 1eef s THR 4 Ca 0.07 -1.53 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1eef s THR 4 Cb 0.10 -1.53 0.17 0.00 1.34 0.00 0.00 72.50 72.58 1eef s THR 4 CO 0.45 -0.75 1.89 -0.29 -0.54 0.00 0.00 174.62 175.38 1eef h ILE 5 N 2.91 1.19 -0.30 2.99 2.10 -1.95 -2.24 117.51 122.21 1eef h ILE 5 Ca -0.34 -0.71 -0.06 0.00 1.08 0.00 0.00 64.86 64.83 1eef h ILE 5 Cb 1.18 0.83 -0.01 0.00 -1.09 0.00 0.00 36.82 37.72 1eef h ILE 5 CO 0.60 0.25 -0.04 0.74 -1.08 0.00 0.00 178.15 178.62 1eef h THR 6 N 0.57 1.27 0.04 2.19 2.02 -1.99 0.22 112.91 117.24 1eef h THR 6 Ca 0.13 -1.03 0.01 0.00 0.77 0.00 0.00 66.41 66.29 1eef h THR 6 Cb 0.27 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1eef h THR 6 CO 0.00 0.33 -0.10 -0.33 0.37 0.00 0.00 175.52 175.79 1eef h GLU 7 N 0.33 -0.18 -0.05 6.66 5.08 -1.94 -1.86 114.58 122.62 1eef h GLU 7 Ca 0.08 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1eef h GLU 7 Cb 0.50 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1eef h GLU 7 CO 0.02 -0.12 -0.19 1.25 -1.00 0.00 0.00 179.01 178.97 1eef h LEU 8 N -0.19 -0.58 -1.25 1.33 6.46 -1.26 -2.45 115.31 117.36 1eef h LEU 8 Ca 0.03 0.09 0.13 0.00 -0.12 0.00 0.00 57.88 58.01 1eef h LEU 8 Cb 0.22 0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.33 1eef h LEU 8 CO -0.08 -0.25 0.58 0.00 -0.62 0.00 0.00 178.44 178.07 1eef n SER 10 N -4.56 0.46 0.00 0.00 7.64 -0.71 -2.00 113.62 114.44 1eef n SER 10 Ca 0.17 0.63 0.14 0.00 1.01 0.00 0.00 58.87 60.82 1eef n SER 10 Cb 0.43 -0.72 0.74 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.02 0.50 -4.43 1.43 1.02 -0.38 -4.86 120.64 111.90 1eef n GLU 11 Ca 0.02 0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.93 1eef n GLU 11 Cb 0.18 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.46 2.19 0.33 -0.32 1.51 -0.85 -5.14 117.35 112.61 1eef s TYR 12 Ca 0.30 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1eef s TYR 12 Cb 0.19 -1.01 -0.05 0.00 -0.11 0.00 0.00 41.96 40.98 1eef s TYR 12 CO 0.41 0.58 0.59 0.50 -1.11 0.00 0.00 175.55 176.51 1eef s ARG 13 N -3.18 3.59 -1.67 -0.62 6.06 -1.26 -4.32 118.95 117.54 1eef s ARG 13 Ca 0.25 -0.03 0.00 0.00 -2.50 0.00 0.00 55.73 53.45 1eef s ARG 13 Cb -0.06 -2.61 0.00 0.00 0.06 0.00 0.00 34.95 32.34 1eef s ARG 13 CO 0.12 0.14 0.00 0.09 -2.50 0.00 0.00 175.30 173.15 1eef n ASN 14 N -1.29 -5.47 -4.49 -2.12 5.03 -1.26 -4.94 115.26 100.72 1eef n ASN 14 Ca -0.02 0.04 -0.24 0.00 0.87 0.00 0.00 54.58 55.23 1eef n ASN 14 Cb 0.55 -4.53 -0.10 0.00 -1.02 0.00 0.00 39.78 34.67 1eef n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1eef s THR 15 N -2.92 2.21 0.07 3.41 -4.23 -1.26 0.11 115.64 113.02 1eef s THR 15 Ca 0.00 -2.27 -0.26 0.00 -1.18 0.00 0.00 61.69 57.98 1eef s THR 15 Cb 0.00 -2.45 0.08 0.00 1.34 0.00 0.00 72.50 71.47 1eef s THR 15 CO 0.00 -0.32 0.68 0.00 -0.54 0.00 0.00 174.62 174.44 1eef s GLN 16 N -3.59 1.13 -0.15 3.99 -2.07 -0.35 -4.87 119.66 113.75 1eef s GLN 16 Ca 0.30 -0.23 -0.15 0.00 -1.82 0.00 0.00 55.36 53.46 1eef s GLN 16 Cb -0.00 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.40 1eef s GLN 16 CO 0.15 -0.46 0.36 0.42 -1.32 0.00 0.00 175.29 174.44 1eef s ILE 17 N -2.89 5.26 -0.19 3.63 -1.09 -1.26 -0.76 121.20 123.90 1eef s ILE 17 Ca -0.02 0.69 -0.03 0.00 -2.23 0.00 0.00 60.65 59.06 1eef s ILE 17 Cb -0.01 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 1eef s ILE 17 CO -0.06 0.35 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.63 1eef s TYR 18 N 0.64 2.94 -0.25 3.97 2.02 0.83 -4.96 117.35 122.54 1eef s TYR 18 Ca 0.20 -0.73 -0.18 0.00 -0.37 0.00 0.00 57.07 55.99 1eef s TYR 18 Cb -0.14 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.37 1eef s TYR 18 CO 0.06 -0.36 0.49 0.99 -1.57 0.00 0.00 175.55 175.16 1eef s THR 19 N 1.00 5.09 -0.15 -0.71 2.01 -1.26 -0.12 115.64 121.49 1eef s THR 19 Ca -0.00 0.85 -0.14 0.00 0.31 0.00 0.00 61.69 62.71 1eef s THR 19 Cb -0.15 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1eef s THR 19 CO 0.00 0.11 -0.27 -0.38 -0.69 0.00 0.00 174.62 173.39 1eef n ILE 20 N 5.05 1.34 -3.85 1.82 2.08 0.28 -4.98 119.36 121.09 1eef n ILE 20 Ca -0.05 0.19 -0.26 0.00 0.56 0.00 0.00 62.75 63.20 1eef n ILE 20 Cb 0.50 -2.28 0.02 0.00 -0.75 0.00 0.00 39.64 37.13 1eef n ILE 20 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1eef n ASN 21 N -4.30 -2.42 -3.46 4.38 5.03 0.26 -4.96 115.26 109.79 1eef n ASN 21 Ca -0.11 -0.85 -0.11 0.00 0.87 0.00 0.00 54.58 54.38 1eef n ASN 21 Cb 0.41 -3.76 -0.02 0.00 -1.02 0.00 0.00 39.78 35.38 1eef n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1eef s ASP 22 N -3.94 -0.49 0.69 6.41 2.15 -0.78 -4.88 116.67 115.84 1eef s ASP 22 Ca 0.28 0.05 -0.11 0.00 0.43 0.00 0.00 52.55 53.20 1eef s ASP 22 Cb -0.14 0.51 0.01 0.00 -0.30 0.00 0.00 42.92 42.99 1eef s ASP 22 CO 0.84 -0.80 1.08 -1.59 -0.17 0.00 0.00 175.17 174.52 1eef s LYS 23 N -3.29 2.97 0.09 4.34 -2.85 -1.26 -0.52 119.74 119.22 1eef s LYS 23 Ca 0.02 0.59 -0.31 0.00 -1.00 0.00 0.00 55.97 55.26 1eef s LYS 23 Cb -0.01 -2.02 -0.07 0.00 -2.06 0.00 0.00 37.83 33.67 1eef s LYS 23 CO -0.10 -0.98 1.29 0.42 0.10 0.00 0.00 175.35 176.08 1eef s ILE 24 N -3.27 3.66 -0.03 3.79 1.01 -1.26 -4.76 121.20 120.34 1eef s ILE 24 Ca 0.58 1.20 -0.23 0.00 0.00 0.00 0.00 60.65 62.20 1eef s ILE 24 Cb -0.12 -3.77 -0.23 0.00 0.01 0.00 0.00 42.46 38.36 1eef s ILE 24 CO 0.53 0.10 1.07 0.25 0.00 0.00 0.00 174.94 176.89 1eef h LEU 25 N 6.73 0.30 -7.79 2.97 5.85 -1.15 -3.47 115.31 118.75 1eef h LEU 25 Ca -0.42 -0.74 -0.17 0.00 0.84 0.00 0.00 57.88 57.38 1eef h LEU 25 Cb 1.21 -0.09 -0.23 0.00 0.37 0.00 0.00 40.66 41.92 1eef h LEU 25 CO 0.83 1.00 -0.60 -0.94 -0.34 0.00 0.00 178.44 178.40 1eef s SER 26 N -6.38 0.05 -0.13 1.25 1.04 -1.04 -4.98 113.70 103.50 1eef s SER 26 Ca -0.15 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1eef s SER 26 Cb 0.02 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1eef s SER 26 CO 0.76 -0.24 -0.21 -0.47 0.98 0.00 0.00 173.24 174.06 1eef s TYR 27 N -0.95 2.68 -0.07 5.02 5.04 -1.26 -2.10 117.35 125.71 1eef s TYR 27 Ca -0.10 -1.18 0.03 0.00 -2.44 0.00 0.00 57.07 53.37 1eef s TYR 27 Cb -0.06 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.44 1eef s TYR 27 CO 0.00 -0.52 -0.16 0.99 -1.34 0.00 0.00 175.55 174.51 1eef s THR 28 N 0.69 1.45 -0.03 4.34 2.01 -0.25 -5.01 115.64 118.84 1eef s THR 28 Ca -0.09 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1eef s THR 28 Cb -0.16 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.08 1eef s THR 28 CO 0.01 0.42 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.59 1eef s GLU 29 N 0.41 0.90 -0.04 4.92 2.12 -1.26 -0.95 118.70 124.80 1eef s GLU 29 Ca -0.13 -0.25 0.06 0.00 0.36 0.00 0.00 54.97 55.01 1eef s GLU 29 Cb -0.15 -0.85 -0.01 0.00 0.26 0.00 0.00 34.13 33.38 1eef s GLU 29 CO 0.05 0.06 -0.22 0.45 -0.54 0.00 0.00 175.26 175.06 1eef s SER 30 N 0.36 2.65 0.00 -1.70 0.15 -0.26 -4.99 113.70 109.92 1eef s SER 30 Ca -0.05 -0.43 0.11 0.00 0.70 0.00 0.00 55.95 56.27 1eef s SER 30 Cb -0.10 -0.63 0.30 0.00 -1.71 0.00 0.00 66.02 63.88 1eef s SER 30 CO 0.00 0.22 1.24 1.15 1.20 0.00 0.00 173.24 177.06 1eef n MET 31 N 2.92 2.76 -2.00 5.44 0.00 -1.26 -2.78 117.12 122.19 1eef n MET 31 Ca -0.17 -2.02 -0.40 0.00 0.00 0.00 0.00 57.70 55.10 1eef n MET 31 Cb 0.52 -1.27 -0.01 0.00 0.00 0.00 0.00 33.22 32.46 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 -1.00 3.43 0.08 3.17 0.00 -1.26 -4.80 121.76 121.38 1eef s ALA 32 Ca 0.23 1.34 -0.36 0.00 0.00 0.00 0.00 51.96 53.18 1eef s ALA 32 Cb 0.12 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 1eef s ALA 32 CO 0.16 -0.82 1.51 0.41 0.00 0.00 0.00 175.76 177.02 1eef n GLY 33 N 0.67 0.85 3.10 0.00 0.00 -1.26 -0.59 105.19 107.96 1eef n GLY 33 Ca 0.02 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 3.43 -0.37 -1.92 1.61 4.76 -1.26 -4.79 118.16 119.62 1eef n LYS 34 Ca 0.19 0.09 -0.03 0.00 -2.87 0.00 0.00 58.31 55.69 1eef n LYS 34 Cb 0.23 -3.67 0.06 0.00 -1.84 0.00 0.00 35.03 29.82 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 -1.64 1.58 -2.33 1.97 5.12 0.25 -4.98 116.66 116.63 1eef n ARG 35 Ca 0.00 -3.17 -0.35 0.00 -1.93 0.00 0.00 57.85 52.40 1eef n ARG 35 Cb 0.09 -1.28 -0.04 0.00 -1.16 0.00 0.00 32.46 30.08 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 -2.57 3.14 0.33 5.56 8.01 -1.07 -4.32 118.70 127.77 1eef s GLU 36 Ca 0.36 -0.85 -0.06 0.00 0.01 0.00 0.00 54.97 54.42 1eef s GLU 36 Cb 0.37 -5.25 0.01 0.00 -4.31 0.00 0.00 34.13 24.95 1eef s GLU 36 CO -0.07 -2.78 0.51 0.00 0.01 0.00 0.00 175.26 172.93 1eef s MET 37 N 5.82 1.88 0.02 1.61 0.23 -1.12 -4.11 119.30 123.62 1eef s MET 37 Ca 0.57 -1.62 0.04 0.00 -1.03 0.00 0.00 55.69 53.66 1eef s MET 37 Cb -0.02 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.73 1eef s MET 37 CO -0.04 -0.79 -0.13 0.08 -2.03 0.00 0.00 175.02 172.11 1eef s VAL 38 N -3.15 1.04 -0.03 5.16 1.01 -1.19 -1.10 120.40 122.15 1eef s VAL 38 Ca 0.27 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1eef s VAL 38 Cb -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1eef s VAL 38 CO 0.17 0.10 -0.11 -0.63 0.00 0.00 0.00 175.10 174.63 1eef s ILE 39 N -0.64 0.94 0.09 2.22 1.01 -0.13 -1.18 121.20 123.52 1eef s ILE 39 Ca 0.03 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.31 1eef s ILE 39 Cb -0.07 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1eef s ILE 39 CO 0.01 0.29 -0.21 0.27 0.00 0.00 0.00 174.94 175.30 1eef s ILE 40 N 0.21 1.68 0.16 2.92 -4.36 0.39 -1.09 121.20 121.11 1eef s ILE 40 Ca -0.04 -1.44 0.04 0.00 -0.26 0.00 0.00 60.65 58.95 1eef s ILE 40 Cb -0.10 -1.51 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 1eef s ILE 40 CO 0.01 0.01 -0.09 0.42 0.24 0.00 0.00 174.94 175.53 1eef s THR 41 N -1.06 1.16 0.21 8.37 -4.23 -0.89 -0.70 115.64 118.49 1eef s THR 41 Ca 0.06 -2.06 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1eef s THR 41 Cb -0.10 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.80 1eef s THR 41 CO 0.04 -0.70 -0.16 -0.36 -0.54 0.00 0.00 174.62 172.89 1eef s PHE 42 N -3.34 1.82 0.58 3.99 0.08 -0.41 -0.54 117.98 120.17 1eef s PHE 42 Ca 0.18 -0.51 0.28 0.00 0.12 0.00 0.00 56.93 57.00 1eef s PHE 42 Cb 0.03 -0.85 1.54 0.00 -0.57 0.00 0.00 43.02 43.17 1eef s PHE 42 CO 0.01 0.41 2.00 0.87 -0.10 0.00 0.00 175.22 178.41 1eef h LYS 43 N 2.68 0.00 0.00 0.44 1.57 -1.89 0.39 116.57 119.76 1eef h LYS 43 Ca -0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1eef h LYS 43 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1eef h LYS 43 CO 0.59 0.00 -0.05 0.66 -0.57 0.00 0.00 179.45 180.08 1eef h SER 44 N 0.00 0.00 0.00 0.86 4.64 -1.97 -3.45 113.55 113.62 1eef h SER 44 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1eef h SER 44 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1eef h SER 44 CO -0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1eef n GLY 45 N -1.01 0.35 3.76 -0.77 0.00 0.14 -5.07 105.19 102.59 1eef n GLY 45 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.77 3.62 -0.02 1.61 0.41 -1.25 -4.77 118.70 117.54 1eef s GLU 46 Ca 0.00 2.07 0.03 0.00 -0.41 0.00 0.00 54.97 56.65 1eef s GLU 46 Cb 0.00 -2.48 -0.00 0.00 -1.78 0.00 0.00 34.13 29.87 1eef s GLU 46 CO 0.00 -0.75 -0.10 0.99 -0.49 0.00 0.00 175.26 174.91 1eef s THR 47 N -1.37 0.80 0.04 3.63 2.01 -1.26 -1.28 115.64 118.21 1eef s THR 47 Ca 0.64 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 62.23 1eef s THR 47 Cb -0.36 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1eef s THR 47 CO 0.44 0.24 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.21 1eef s PHE 48 N -0.05 0.45 0.17 4.92 0.08 0.12 -4.12 117.98 119.56 1eef s PHE 48 Ca 0.01 -0.85 0.07 0.00 0.12 0.00 0.00 56.93 56.28 1eef s PHE 48 Cb -0.06 -0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 42.02 1eef s PHE 48 CO 0.00 -0.29 -0.15 1.14 -0.10 0.00 0.00 175.22 175.82 1eef s GLN 49 N -2.96 1.21 -0.29 0.44 -2.07 -0.47 -0.46 119.66 115.07 1eef s GLN 49 Ca -0.02 -1.45 -0.07 0.00 -1.82 0.00 0.00 55.36 52.00 1eef s GLN 49 Cb 0.01 -1.06 0.00 0.00 -1.09 0.00 0.00 33.01 30.87 1eef s GLN 49 CO -0.06 0.19 0.08 0.08 -1.32 0.00 0.00 175.29 174.26 1eef s VAL 50 N -2.61 4.05 0.65 3.63 1.01 -0.32 -0.99 120.40 125.81 1eef s VAL 50 Ca 0.17 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1eef s VAL 50 Cb -0.02 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 1eef s VAL 50 CO 0.05 0.13 1.23 -1.61 0.00 0.00 0.00 175.10 174.90 1eef s GLU 51 N 1.53 2.58 0.28 2.72 2.02 -1.26 -3.14 118.70 123.42 1eef s GLU 51 Ca 0.03 1.86 -0.30 0.00 0.02 0.00 0.00 54.97 56.59 1eef s GLU 51 Cb -0.17 -1.88 -0.11 0.00 0.10 0.00 0.00 34.13 32.08 1eef s GLU 51 CO 0.03 -1.52 1.52 0.08 0.02 0.00 0.00 175.26 175.39 1eef s VAL 52 N -1.68 2.33 0.21 2.63 1.01 -1.26 -4.88 120.40 118.76 1eef s VAL 52 Ca 0.78 0.28 -0.32 0.00 0.00 0.00 0.00 61.98 62.71 1eef s VAL 52 Cb -0.32 -3.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.75 1eef s VAL 52 CO 0.39 0.05 1.49 -2.65 0.00 0.00 0.00 175.10 174.38 1eef n PRO 53 N 2.18 2.13 -3.10 2.72 -0.02 -1.26 -4.96 135.00 132.69 1eef n PRO 53 Ca 0.07 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 1eef n PRO 53 Cb 0.39 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1eef n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eef n GLY 54 N 2.67 2.92 0.21 -1.23 0.00 -1.26 -5.03 105.19 103.47 1eef n GLY 54 Ca 0.14 -1.64 0.15 0.00 0.00 0.00 0.00 46.02 44.67 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 1.15 0.00 1.69 1.61 4.64 -2.03 -1.74 113.55 118.87 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 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1eef h SER 55 CO 0.21 0.00 0.00 0.06 -0.87 0.00 0.00 176.83 176.23 1eef h GLN 56 N 0.00 0.00 -6.16 4.77 -0.00 -1.97 -3.45 115.11 108.30 1eef h GLN 56 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 58.65 58.08 1eef h GLN 56 Cb 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.51 1eef h GLN 56 CO 0.00 0.00 0.01 -1.01 -0.00 0.00 0.00 178.83 177.83 1eef s HIS 57 N -3.31 3.73 0.62 0.06 3.76 -0.66 -5.08 115.29 114.41 1eef s HIS 57 Ca 0.06 1.27 -0.05 0.00 -0.15 0.00 0.00 55.06 56.18 1eef s HIS 57 Cb 0.07 -2.61 0.03 0.00 1.11 0.00 0.00 32.58 31.18 1eef s HIS 57 CO 0.63 0.41 0.92 0.96 -0.85 0.00 0.00 174.74 176.80 1eef s ILE 58 N -0.46 3.12 0.26 0.60 -4.36 -1.26 -4.91 121.20 114.19 1eef s ILE 58 Ca 0.31 -0.17 -0.03 0.00 -0.26 0.00 0.00 60.65 60.50 1eef s ILE 58 Cb -0.19 -3.26 0.24 0.00 1.25 0.00 0.00 42.46 40.50 1eef s ILE 58 CO 0.19 -0.26 1.85 0.44 0.24 0.00 0.00 174.94 177.39 1eef h ASP 59 N -0.27 0.87 -0.08 4.36 3.32 -1.99 -0.87 116.42 121.76 1eef h ASP 59 Ca -0.45 0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.66 1eef h ASP 59 Cb 1.28 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1eef h ASP 59 CO 0.60 0.52 0.06 0.77 -1.72 0.00 0.00 179.24 179.47 1eef h SER 60 N 0.98 0.00 1.04 6.45 4.64 -2.02 -1.19 113.55 123.45 1eef h SER 60 Ca 0.42 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.62 1eef h SER 60 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1eef h SER 60 CO -0.21 0.00 -0.58 1.56 -0.87 0.00 0.00 176.83 176.73 1eef h GLN 61 N 0.00 0.00 -0.11 4.77 4.20 -1.53 -3.14 115.11 119.31 1eef h GLN 61 Ca 0.04 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.79 1eef h GLN 61 Cb 0.17 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1eef h GLN 61 CO -0.00 0.58 -0.13 0.87 -0.67 0.00 0.00 178.83 179.48 1eef h LYS 62 N 0.00 -0.16 -0.72 1.46 1.79 -1.05 0.51 116.57 118.40 1eef h LYS 62 Ca -0.01 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1eef h LYS 62 Cb 1.26 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.92 1eef h LYS 62 CO 0.08 -0.11 0.18 -0.22 -1.08 0.00 0.00 179.45 178.30 1eef h LYS 63 N -0.17 1.14 -0.35 3.15 3.64 -1.66 -2.74 116.57 119.58 1eef h LYS 63 Ca 0.08 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.12 1eef h LYS 63 Cb 0.29 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1eef h LYS 63 CO -0.21 0.99 -0.09 0.00 -2.27 0.00 0.00 179.45 177.88 1eef h ALA 64 N 1.11 1.19 -0.44 5.00 0.00 -1.35 -2.32 119.26 122.44 1eef h ALA 64 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1eef h ALA 64 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1eef h ALA 64 CO 0.00 0.52 0.28 0.82 0.00 0.00 0.00 179.25 180.87 1eef h ILE 65 N 0.55 1.13 -0.35 0.00 2.04 0.29 -0.58 117.51 120.59 1eef h ILE 65 Ca 0.10 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 1eef h ILE 65 Cb 0.49 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1eef h ILE 65 CO 0.03 0.13 0.01 -0.33 0.00 0.00 0.00 178.15 177.99 1eef h GLU 66 N 0.59 0.53 -0.27 2.37 4.39 -1.25 -2.48 114.58 118.47 1eef h GLU 66 Ca 0.16 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1eef h GLU 66 Cb -0.03 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1eef h GLU 66 CO -0.03 0.55 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.22 1eef h ARG 67 N 0.51 0.52 -0.65 2.33 2.43 -0.97 -1.49 114.38 117.06 1eef h ARG 67 Ca 0.11 -0.19 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1eef h ARG 67 Cb 0.31 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1eef h ARG 67 CO 0.01 0.72 0.38 1.98 -1.51 0.00 0.00 179.97 181.54 1eef h MET 68 N 0.28 0.69 -0.74 0.20 4.05 -0.85 0.34 114.93 118.90 1eef h MET 68 Ca 0.07 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 1eef h MET 68 Cb 0.52 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 1eef h MET 68 CO 0.02 0.46 0.28 0.87 0.23 0.00 0.00 176.91 178.77 1eef h LYS 69 N 0.71 1.12 -0.49 0.39 1.57 -1.33 0.06 116.57 118.61 1eef h LYS 69 Ca 0.28 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1eef h LYS 69 Cb 0.13 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1eef h LYS 69 CO -0.15 0.93 0.31 -0.44 -0.57 0.00 0.00 179.45 179.53 1eef h ASP 70 N 1.08 0.53 -0.42 0.86 3.32 -0.07 -2.06 116.42 119.65 1eef h ASP 70 Ca 0.24 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1eef h ASP 70 Cb 0.24 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1eef h ASP 70 CO -0.02 0.38 0.24 0.74 -1.72 0.00 0.00 179.24 178.87 1eef h THR 71 N 0.64 1.15 -0.73 0.35 2.02 -0.06 -2.45 112.91 113.82 1eef h THR 71 Ca 0.18 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1eef h THR 71 Cb -0.05 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1eef h THR 71 CO -0.05 0.15 0.31 -0.07 0.37 0.00 0.00 175.52 176.23 1eef h LEU 72 N 0.55 0.98 -0.06 2.58 3.38 -0.71 -1.00 115.31 121.03 1eef h LEU 72 Ca 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1eef h LEU 72 Cb 0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1eef h LEU 72 CO -0.03 0.86 0.02 -0.09 0.09 0.00 0.00 178.44 179.29 1eef h ARG 73 N 1.05 0.09 -0.10 1.13 2.43 -1.15 -1.12 114.38 116.72 1eef h ARG 73 Ca 0.25 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1eef h ARG 73 Cb 0.17 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1eef h ARG 73 CO -0.02 0.26 -0.45 0.97 -1.51 0.00 0.00 179.97 179.21 1eef h ILE 74 N -0.09 1.33 -0.63 1.20 6.09 -1.28 -0.66 117.51 123.48 1eef h ILE 74 Ca 0.02 -1.62 -0.08 0.00 -1.37 0.00 0.00 64.86 61.81 1eef h ILE 74 Cb 0.20 1.76 -0.03 0.00 0.47 0.00 0.00 36.82 39.22 1eef h ILE 74 CO -0.00 0.48 0.08 0.74 -3.07 0.00 0.00 178.15 176.38 1eef h THR 75 N 0.19 1.26 0.37 2.19 2.02 -1.09 -1.29 112.91 116.55 1eef h THR 75 Ca 0.01 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1eef h THR 75 Cb 0.88 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1eef h THR 75 CO 0.07 0.38 -0.18 0.22 0.37 0.00 0.00 175.52 176.39 1eef h TYR 76 N 0.97 -0.46 -0.83 3.16 3.20 -0.68 -1.31 116.97 121.03 1eef h TYR 76 Ca 0.19 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.14 1eef h TYR 76 Cb 0.44 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 1eef h TYR 76 CO 0.03 -0.20 0.54 -0.07 -1.64 0.00 0.00 178.16 176.82 1eef h LEU 77 N -0.64 0.74 -0.79 2.82 3.38 -0.98 -1.81 115.31 118.05 1eef h LEU 77 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1eef h LEU 77 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1eef h LEU 77 CO 0.08 0.45 -0.03 0.35 0.09 0.00 0.00 178.44 179.38 1eef n THR 78 N -4.51 0.00 -3.40 0.22 -2.24 -0.50 -4.93 114.28 98.92 1eef n THR 78 Ca 0.13 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.46 1eef n THR 78 Cb 0.28 0.37 0.03 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.08 -4.91 -2.46 -0.78 1.02 -0.68 -4.94 120.64 107.81 1eef n GLU 79 Ca 0.18 0.69 -0.41 0.00 -0.02 0.00 0.00 57.16 57.61 1eef n GLU 79 Cb 0.33 -5.54 -0.04 0.00 -0.02 0.00 0.00 31.44 26.17 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 3.83 0.12 2.62 2.01 -0.58 -4.77 115.64 115.72 1eef s THR 80 Ca 0.45 1.51 -0.31 0.00 0.31 0.00 0.00 61.69 63.66 1eef s THR 80 Cb -0.22 -3.97 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 1eef s THR 80 CO 0.56 0.23 1.27 -0.54 -0.69 0.00 0.00 174.62 175.44 1eef s LYS 81 N -0.07 4.41 0.08 4.92 1.02 -1.26 -4.31 119.74 124.52 1eef s LYS 81 Ca 0.52 1.92 -0.13 0.00 0.02 0.00 0.00 55.97 58.30 1eef s LYS 81 Cb -0.30 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.67 1eef s LYS 81 CO 0.34 -0.27 0.45 0.42 -0.92 0.00 0.00 175.35 175.37 1eef s ILE 82 N 0.69 5.00 0.00 2.17 1.01 0.32 -4.37 121.20 126.03 1eef s ILE 82 Ca 0.59 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.92 1eef s ILE 82 Cb -0.33 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1eef s ILE 82 CO 0.32 0.36 0.00 -0.67 0.00 0.00 0.00 174.94 174.95 1eef n ASP 83 N 1.14 0.00 -4.30 3.58 2.03 0.20 0.92 116.55 120.12 1eef n ASP 83 Ca -0.09 0.21 -0.16 0.00 0.52 0.00 0.00 54.79 55.26 1eef n ASP 83 Cb 0.52 -0.47 -0.10 0.00 -0.72 0.00 0.00 41.12 40.35 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 -0.95 1.21 -0.06 -0.67 1.02 -1.18 1.00 119.74 120.11 1eef s LYS 84 Ca 0.00 -1.54 0.01 0.00 0.02 0.00 0.00 55.97 54.46 1eef s LYS 84 Cb 0.00 -0.81 0.02 0.00 -0.52 0.00 0.00 37.83 36.52 1eef s LYS 84 CO 0.00 0.09 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.93 1eef s LEU 85 N -3.25 1.42 -0.24 3.17 1.02 0.83 -1.62 118.68 120.01 1eef s LEU 85 Ca 0.21 -0.20 -0.13 0.00 0.02 0.00 0.00 54.13 54.03 1eef s LEU 85 Cb 0.02 -0.61 -0.04 0.00 0.02 0.00 0.00 46.19 45.58 1eef s LEU 85 CO 0.04 -0.03 0.28 0.00 0.02 0.00 0.00 176.35 176.67 1eef s VAL 87 N 1.51 1.17 -0.17 0.00 -7.23 0.06 0.35 120.40 116.10 1eef s VAL 87 Ca 0.12 -1.66 -0.23 0.00 -1.81 0.00 0.00 61.98 58.41 1eef s VAL 87 Cb -0.15 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 1eef s VAL 87 CO 0.08 -0.46 0.71 0.26 -0.31 0.00 0.00 175.10 175.38 1eef s TRP 88 N -2.19 3.42 -1.61 2.82 0.51 0.11 -1.21 118.94 120.79 1eef s TRP 88 Ca 0.07 1.09 0.16 0.00 -2.12 0.00 0.00 56.10 55.30 1eef s TRP 88 Cb -0.04 -2.87 0.54 0.00 -0.81 0.00 0.00 33.47 30.29 1eef s TRP 88 CO 0.02 -0.15 1.44 0.27 -0.51 0.00 0.00 176.95 178.02 1eef n ASN 89 N 4.90 3.49 -1.90 2.95 0.23 0.12 -1.83 115.26 123.22 1eef n ASN 89 Ca 0.01 -2.18 -0.07 0.00 -0.53 0.00 0.00 54.58 51.81 1eef n ASN 89 Cb 0.50 -0.45 0.28 0.00 -2.08 0.00 0.00 39.78 38.03 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 1.02 4.49 -4.03 0.53 6.94 -1.26 -4.90 115.26 118.05 1eef n ASN 90 Ca 0.20 -3.30 -0.08 0.00 -0.02 0.00 0.00 54.58 51.38 1eef n ASN 90 Cb 0.61 -0.74 -0.10 0.00 -2.36 0.00 0.00 39.78 37.19 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 -3.04 0.47 -0.11 -3.83 -0.14 -1.26 -5.08 119.74 106.75 1eef s LYS 91 Ca 0.54 -0.91 -0.01 0.00 -1.36 0.00 0.00 55.97 54.23 1eef s LYS 91 Cb 0.44 0.16 0.03 0.00 -1.68 0.00 0.00 37.83 36.78 1eef s LYS 91 CO 0.12 -0.08 -0.04 0.99 -0.76 0.00 0.00 175.35 175.58 1eef s THR 92 N -2.70 0.76 0.94 2.17 2.01 -1.26 -2.56 115.64 115.00 1eef s THR 92 Ca -0.04 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 61.64 1eef s THR 92 Cb -0.01 -0.89 0.16 0.00 0.01 0.00 0.00 72.50 71.77 1eef s THR 92 CO -0.06 0.26 1.09 -2.84 -0.69 0.00 0.00 174.62 172.38 1eef s PRO 93 N 1.81 0.85 0.55 4.92 0.02 -1.26 -5.06 135.00 136.83 1eef s PRO 93 Ca 0.04 1.04 -0.21 0.00 0.02 0.00 0.00 61.00 61.89 1eef s PRO 93 Cb -0.13 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.59 1eef s PRO 93 CO -0.07 -2.58 1.22 0.09 -0.33 0.00 0.00 177.00 175.33 1eef n ASN 94 N -4.15 2.01 -4.70 2.53 5.03 -1.06 -4.54 115.26 110.39 1eef n ASN 94 Ca 0.08 0.93 -0.36 0.00 0.87 0.00 0.00 54.58 56.10 1eef n ASN 94 Cb 0.54 -1.50 -0.08 0.00 -1.02 0.00 0.00 39.78 37.71 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 -1.01 6.22 -0.05 6.41 0.15 -0.76 -1.37 113.70 123.29 1eef s SER 95 Ca 0.73 0.24 -0.30 0.00 0.70 0.00 0.00 55.95 57.32 1eef s SER 95 Cb -0.43 -2.12 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1eef s SER 95 CO 0.49 0.10 1.39 -0.63 1.20 0.00 0.00 173.24 175.79 1eef s ILE 96 N 0.72 3.87 -0.24 6.45 1.01 -0.16 0.06 121.20 132.92 1eef s ILE 96 Ca 0.10 1.18 0.06 0.00 0.00 0.00 0.00 60.65 61.98 1eef s ILE 96 Cb -0.13 -3.76 -0.18 0.00 0.01 0.00 0.00 42.46 38.40 1eef s ILE 96 CO 0.02 -0.04 -0.15 0.00 0.00 0.00 0.00 174.94 174.77 1eef n ALA 97 N 5.92 1.47 -3.45 9.38 0.00 0.16 -4.88 120.51 129.11 1eef n ALA 97 Ca 0.14 -1.13 -0.11 0.00 0.00 0.00 0.00 53.44 52.33 1eef n ALA 97 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.50 -1.47 0.09 0.00 0.00 -0.86 -4.97 121.76 112.06 1eef s ALA 98 Ca -0.28 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1eef s ALA 98 Cb 0.08 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 1eef s ALA 98 CO 0.64 -0.80 -0.08 0.42 0.00 0.00 0.00 175.76 175.94 1eef s ILE 99 N -3.78 0.77 0.00 0.00 1.09 -1.26 -0.96 121.20 117.06 1eef s ILE 99 Ca 0.03 -1.77 -0.00 0.00 -1.10 0.00 0.00 60.65 57.81 1eef s ILE 99 Cb -0.01 -1.48 -0.00 0.00 -1.06 0.00 0.00 42.46 39.90 1eef s ILE 99 CO -0.10 -0.73 0.01 -0.94 -0.10 0.00 0.00 174.94 173.08 1eef s SER 100 N -2.72 0.04 0.00 3.58 1.04 -0.64 -4.99 113.70 110.02 1eef s SER 100 Ca 0.08 -0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.43 1eef s SER 100 Cb 0.01 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1eef s SER 100 CO -0.02 -0.08 -0.07 -0.04 0.98 0.00 0.00 173.24 174.00 1eef s MET 101 N -0.35 0.56 0.01 4.02 -1.94 -1.26 -0.63 119.30 119.72 1eef s MET 101 Ca -0.04 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1eef s MET 101 Cb -0.02 -0.52 -0.01 0.00 2.01 0.00 0.00 34.83 36.29 1eef s MET 101 CO -0.00 0.14 -0.02 0.21 -0.01 0.00 0.00 175.02 175.33 1eef s LYS 102 N -0.42 0.21 0.00 2.03 2.20 -1.26 -4.92 119.74 117.58 1eef s LYS 102 Ca 0.01 -0.36 0.21 0.00 -0.36 0.00 0.00 55.97 55.47 1eef s LYS 102 Cb -0.04 0.02 1.25 0.00 -1.51 0.00 0.00 37.83 37.54 1eef s LYS 102 CO -0.00 -0.02 1.63 -1.71 -0.36 0.00 0.00 175.35 174.89