#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4z n SER 2 N 0.00 0.00 -0.39 0.00 2.88 -1.26 -5.02 113.62 109.84 2c4z n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2c4z n SER 2 Cb 0.00 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 63.81 2c4z n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2c4z n ASN 3 N 0.00 1.41 -4.17 -3.46 0.23 -1.26 -4.63 115.26 103.38 2c4z n ASN 3 Ca 0.00 -1.21 -0.42 0.00 -0.53 0.00 0.00 54.58 52.42 2c4z n ASN 3 Cb 0.00 0.13 -0.01 0.00 -2.08 0.00 0.00 39.78 37.83 2c4z n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2c4z n PHE 4 N -0.21 3.92 -4.52 -2.53 -0.00 -1.26 -4.88 117.46 107.97 2c4z n PHE 4 Ca 0.14 -2.75 -0.24 0.00 -0.00 0.00 0.00 57.45 54.59 2c4z n PHE 4 Cb 0.38 -2.55 -0.11 0.00 -0.00 0.00 0.00 39.48 37.20 2c4z n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2c4z s THR 5 N 4.26 1.68 0.56 -2.13 -4.23 -1.26 -4.86 115.64 109.66 2c4z s THR 5 Ca 0.52 -2.04 -0.14 0.00 -1.18 0.00 0.00 61.69 58.85 2c4z s THR 5 Cb 0.08 -2.80 -0.06 0.00 1.34 0.00 0.00 72.50 71.06 2c4z s THR 5 CO 0.02 -0.07 1.00 0.00 -0.54 0.00 0.00 174.62 175.02 2c4z s GLN 6 N -3.77 3.78 0.23 3.99 -2.07 -1.26 -4.61 119.66 115.95 2c4z s GLN 6 Ca 0.34 0.84 -0.17 0.00 -1.82 0.00 0.00 55.36 54.56 2c4z s GLN 6 Cb 0.08 -2.12 0.02 0.00 -1.09 0.00 0.00 33.01 29.89 2c4z s GLN 6 CO 0.16 -0.40 0.54 -0.59 -1.32 0.00 0.00 175.29 173.68 2c4z s PHE 7 N -2.87 0.02 -0.47 9.60 -0.71 -0.42 -5.00 117.98 118.12 2c4z s PHE 7 Ca 0.57 -0.39 -0.23 0.00 -1.04 0.00 0.00 56.93 55.83 2c4z s PHE 7 Cb -0.10 0.38 0.03 0.00 -1.21 0.00 0.00 43.02 42.12 2c4z s PHE 7 CO 0.42 -1.00 0.83 0.08 -1.34 0.00 0.00 175.22 174.21 2c4z s VAL 8 N -3.93 4.58 -0.07 -2.49 1.01 -1.26 -0.68 120.40 117.57 2c4z s VAL 8 Ca 0.14 0.42 -0.26 0.00 0.00 0.00 0.00 61.98 62.27 2c4z s VAL 8 Cb -0.02 -4.38 -0.23 0.00 0.00 0.00 0.00 36.38 31.75 2c4z s VAL 8 CO 0.03 -0.81 1.02 0.25 0.00 0.00 0.00 175.10 175.59 2c4z h LEU 9 N 10.33 0.07 -8.13 3.92 5.85 -1.28 -3.43 115.31 122.65 2c4z h LEU 9 Ca -0.25 -0.76 -0.67 0.00 0.84 0.00 0.00 57.88 57.05 2c4z h LEU 9 Cb 1.08 -0.02 -0.33 0.00 0.37 0.00 0.00 40.66 41.76 2c4z h LEU 9 CO 0.99 0.82 -0.79 -0.69 -0.34 0.00 0.00 178.44 178.43 2c4z s VAL 10 N -3.19 2.56 -0.30 1.05 1.01 -0.63 -4.99 120.40 115.92 2c4z s VAL 10 Ca -0.17 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.72 2c4z s VAL 10 Cb -0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2c4z s VAL 10 CO 0.70 0.35 0.27 -0.62 0.00 0.00 0.00 175.10 175.81 2c4z s ASP 11 N 1.32 6.11 -0.35 3.32 2.15 -1.26 -0.99 116.67 126.97 2c4z s ASP 11 Ca 0.02 -0.06 0.10 0.00 0.43 0.00 0.00 52.55 53.04 2c4z s ASP 11 Cb -0.15 -2.16 0.45 0.00 -0.30 0.00 0.00 42.92 40.76 2c4z s ASP 11 CO -0.08 -0.17 1.11 0.59 -0.17 0.00 0.00 175.17 176.46 2c4z n ASN 12 N 5.19 3.92 -3.05 -0.34 3.02 -1.26 -5.00 115.26 117.74 2c4z n ASN 12 Ca -0.12 -3.37 -0.15 0.00 -0.03 0.00 0.00 54.58 50.92 2c4z n ASN 12 Cb 0.51 -0.43 0.02 0.00 -0.61 0.00 0.00 39.78 39.26 2c4z n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4z n GLY 13 N -0.51 -1.26 1.15 7.41 0.00 -1.26 -3.23 105.19 107.49 2c4z n GLY 13 Ca 0.32 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.32 2c4z n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c4z n GLY 14 N 0.06 -0.17 2.93 -0.02 0.00 -1.26 -4.79 105.19 101.94 2c4z n GLY 14 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2c4z n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c4z s THR 15 N -0.76 -0.66 0.00 2.61 -4.23 -1.20 -4.81 115.64 106.59 2c4z s THR 15 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 2c4z s THR 15 Cb 0.00 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.86 2c4z s THR 15 CO 0.00 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2c4z n GLY 16 N 5.36 0.77 3.72 3.99 0.00 -1.26 -4.78 105.19 112.99 2c4z n GLY 16 Ca 0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2c4z n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c4z s ASP 17 N -2.30 6.93 -0.46 1.61 1.11 -1.26 -4.73 116.67 117.56 2c4z s ASP 17 Ca 0.00 2.27 -0.22 0.00 0.18 0.00 0.00 52.55 54.78 2c4z s ASP 17 Cb 0.00 -2.59 0.03 0.00 1.07 0.00 0.00 42.92 41.43 2c4z s ASP 17 CO 0.00 -0.55 0.75 -0.69 1.18 0.00 0.00 175.17 175.86 2c4z s VAL 18 N 0.71 4.69 -0.07 -1.27 1.01 -0.16 -4.97 120.40 120.34 2c4z s VAL 18 Ca 0.60 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 2c4z s VAL 18 Cb -0.35 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 2c4z s VAL 18 CO 0.33 -0.73 0.02 0.28 0.00 0.00 0.00 175.10 175.00 2c4z s THR 19 N 3.16 4.44 0.01 3.92 -1.32 -1.26 -0.76 115.64 123.84 2c4z s THR 19 Ca 0.27 -0.26 0.08 0.00 -1.21 0.00 0.00 61.69 60.57 2c4z s THR 19 Cb -0.13 -2.90 -0.02 0.00 -1.51 0.00 0.00 72.50 67.93 2c4z s THR 19 CO 0.20 0.56 -0.25 -0.69 -2.21 0.00 0.00 174.62 172.24 2c4z s VAL 20 N -0.95 1.98 0.12 5.08 1.01 0.15 -4.40 120.40 123.39 2c4z s VAL 20 Ca 0.15 -1.19 0.06 0.00 0.00 0.00 0.00 61.98 61.00 2c4z s VAL 20 Cb -0.11 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2c4z s VAL 20 CO 0.04 0.44 -0.14 0.00 0.00 0.00 0.00 175.10 175.44 2c4z s ALA 21 N -0.68 1.48 0.18 5.51 0.00 -0.16 -1.30 121.76 126.79 2c4z s ALA 21 Ca 0.10 -1.27 -0.33 0.00 0.00 0.00 0.00 51.96 50.45 2c4z s ALA 21 Cb -0.10 -0.08 -0.14 0.00 0.00 0.00 0.00 23.12 22.81 2c4z s ALA 21 CO 0.00 0.11 1.52 -2.30 0.00 0.00 0.00 175.76 175.10 2c4z n PRO 22 N 0.59 2.07 0.00 0.00 -0.02 -1.26 -1.11 135.00 135.26 2c4z n PRO 22 Ca -0.16 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2c4z n PRO 22 Cb 0.57 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2c4z n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2c4z n SER 23 N 3.06 0.07 -3.63 2.55 3.41 0.21 -4.85 113.62 114.44 2c4z n SER 23 Ca 0.16 -0.12 -0.05 0.00 -0.26 0.00 0.00 58.87 58.60 2c4z n SER 23 Cb 0.29 0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 2c4z n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2c4z s ASN 24 N -0.27 -0.15 -0.01 4.04 3.84 -1.21 -4.98 114.94 116.20 2c4z s ASN 24 Ca 0.00 0.21 0.02 0.00 0.21 0.00 0.00 52.86 53.31 2c4z s ASN 24 Cb 0.00 0.19 0.03 0.00 -0.55 0.00 0.00 41.25 40.92 2c4z s ASN 24 CO 0.00 -0.10 0.92 0.33 -2.79 0.00 0.00 177.10 175.46 2c4z n PHE 25 N 1.02 0.00 -1.87 0.43 -0.00 -1.25 -0.28 117.46 115.50 2c4z n PHE 25 Ca -0.06 -0.13 -0.41 0.00 -0.00 0.00 0.00 57.45 56.85 2c4z n PHE 25 Cb 0.58 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.48 39.99 2c4z n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c4z s ALA 26 N -0.36 3.68 -1.38 3.13 0.00 -1.26 -2.68 121.76 122.91 2c4z s ALA 26 Ca 0.04 1.48 -0.00 0.00 0.00 0.00 0.00 51.96 53.47 2c4z s ALA 26 Cb 0.03 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2c4z s ALA 26 CO 0.00 -0.89 0.04 0.09 0.00 0.00 0.00 175.76 175.00 2c4z n ASN 27 N 2.03 -4.86 -1.17 0.00 3.02 -1.26 -2.79 115.26 110.23 2c4z n ASN 27 Ca 0.07 -0.04 -0.15 0.00 -0.03 0.00 0.00 54.58 54.44 2c4z n ASN 27 Cb 0.39 -3.95 -0.06 0.00 -0.61 0.00 0.00 39.78 35.55 2c4z n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4z n GLY 28 N -1.05 1.39 3.16 7.41 0.00 -1.09 -4.98 105.19 110.04 2c4z n GLY 28 Ca -0.18 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 2c4z n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c4z s VAL 29 N -2.56 2.85 0.11 1.61 1.01 -1.12 -4.63 120.40 117.67 2c4z s VAL 29 Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 2c4z s VAL 29 Cb 0.00 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 2c4z s VAL 29 CO 0.00 -0.03 1.14 0.00 0.00 0.00 0.00 175.10 176.21 2c4z s ALA 30 N 1.25 3.36 0.06 5.51 0.00 -0.15 -3.94 121.76 127.86 2c4z s ALA 30 Ca -0.05 0.81 0.07 0.00 0.00 0.00 0.00 51.96 52.80 2c4z s ALA 30 Cb -0.19 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 2c4z s ALA 30 CO -0.02 -0.32 -0.18 -2.00 0.00 0.00 0.00 175.76 173.23 2c4z s GLU 31 N 0.39 1.15 0.00 0.00 2.12 0.62 -1.07 118.70 121.91 2c4z s GLU 31 Ca 0.54 -0.95 0.01 0.00 0.36 0.00 0.00 54.97 54.93 2c4z s GLU 31 Cb -0.29 -1.27 -0.00 0.00 0.26 0.00 0.00 34.13 32.83 2c4z s GLU 31 CO 0.32 0.31 -0.04 -1.58 -0.54 0.00 0.00 175.26 173.72 2c4z s TRP 32 N -0.95 0.40 0.11 5.30 0.51 -0.02 -0.62 118.94 123.67 2c4z s TRP 32 Ca 0.05 -0.11 -0.02 0.00 -2.12 0.00 0.00 56.10 53.90 2c4z s TRP 32 Cb -0.09 -0.26 -0.04 0.00 -0.81 0.00 0.00 33.47 32.28 2c4z s TRP 32 CO 0.02 -0.01 0.06 0.96 -0.51 0.00 0.00 176.95 177.47 2c4z s ILE 33 N -0.21 0.13 0.40 2.03 -4.36 -0.27 -1.30 121.20 117.63 2c4z s ILE 33 Ca 0.01 -1.80 -0.00 0.00 -0.26 0.00 0.00 60.65 58.59 2c4z s ILE 33 Cb -0.02 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 2c4z s ILE 33 CO -0.00 -0.61 0.62 -0.94 0.24 0.00 0.00 174.94 174.24 2c4z s SER 34 N -3.00 6.15 -0.99 4.36 1.04 -1.01 -0.99 113.70 119.26 2c4z s SER 34 Ca 0.18 0.47 -0.24 0.00 0.48 0.00 0.00 55.95 56.83 2c4z s SER 34 Cb 0.07 -1.91 -0.06 0.00 0.10 0.00 0.00 66.02 64.22 2c4z s SER 34 CO -0.02 -0.46 1.96 -0.44 0.98 0.00 0.00 173.24 175.26 2c4z s SER 35 N -4.10 5.06 0.31 7.02 0.01 -1.26 -4.73 113.70 116.01 2c4z s SER 35 Ca 0.43 -0.98 -0.11 0.00 1.31 0.00 0.00 55.95 56.60 2c4z s SER 35 Cb -0.10 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.58 2c4z s SER 35 CO 0.38 -2.90 0.58 0.20 0.41 0.00 0.00 173.24 171.90 2c4z s ASN 36 N 7.62 0.20 0.41 2.44 0.01 -1.26 -5.06 114.94 119.30 2c4z s ASN 36 Ca 0.70 -1.11 -0.25 0.00 -0.71 0.00 0.00 52.86 51.50 2c4z s ASN 36 Cb -0.05 0.69 -0.08 0.00 0.41 0.00 0.00 41.25 42.22 2c4z s ASN 36 CO 0.04 -1.34 1.14 -0.94 -1.51 0.00 0.00 177.10 174.49 2c4z s SER 37 N -3.08 6.53 0.63 -1.22 1.04 -1.26 -4.78 113.70 111.56 2c4z s SER 37 Ca 0.22 2.26 0.26 0.00 0.48 0.00 0.00 55.95 59.17 2c4z s SER 37 Cb -0.02 -2.61 1.31 0.00 0.10 0.00 0.00 66.02 64.80 2c4z s SER 37 CO 0.13 -0.66 1.74 -0.09 0.98 0.00 0.00 173.24 175.33 2c4z h ARG 38 N 2.53 0.00 0.00 4.02 9.65 -1.97 0.26 114.38 128.87 2c4z h ARG 38 Ca -0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2c4z h ARG 38 Cb 1.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2c4z h ARG 38 CO 0.62 0.00 -0.24 0.66 2.80 0.00 0.00 179.97 183.81 2c4z h SER 39 N 0.00 0.00 -0.10 -3.80 4.64 -1.89 -3.32 113.55 109.07 2c4z h SER 39 Ca 0.13 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2c4z h SER 39 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2c4z h SER 39 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2c4z n GLN 40 N -2.99 2.17 -2.74 4.77 6.02 0.84 -3.95 117.38 121.50 2c4z n GLN 40 Ca 0.03 -1.49 -0.32 0.00 -0.01 0.00 0.00 57.00 55.21 2c4z n GLN 40 Cb 0.53 -1.10 -0.05 0.00 1.02 0.00 0.00 30.24 30.64 2c4z n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c4z s ALA 41 N -0.85 3.11 0.32 -1.58 0.00 -0.75 -4.85 121.76 117.17 2c4z s ALA 41 Ca 0.08 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.02 2c4z s ALA 41 Cb 0.04 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 2c4z s ALA 41 CO 0.06 0.04 0.92 0.71 0.00 0.00 0.00 175.76 177.49 2c4z s TYR 42 N -2.30 3.65 -0.01 0.00 1.51 -1.26 -4.69 117.35 114.25 2c4z s TYR 42 Ca 0.59 1.73 0.01 0.00 -1.01 0.00 0.00 57.07 58.39 2c4z s TYR 42 Cb -0.10 -2.89 0.01 0.00 -0.11 0.00 0.00 41.96 38.87 2c4z s TYR 42 CO 0.21 0.19 -0.02 0.21 -1.11 0.00 0.00 175.55 175.03 2c4z s LYS 43 N -2.15 0.23 -0.05 -0.62 2.20 -1.06 -2.42 119.74 115.87 2c4z s LYS 43 Ca 0.51 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.10 2c4z s LYS 43 Cb -0.18 -0.29 0.02 0.00 -1.51 0.00 0.00 37.83 35.87 2c4z s LYS 43 CO 0.23 -0.01 -0.08 0.08 -0.36 0.00 0.00 175.35 175.21 2c4z s VAL 44 N 0.29 0.80 0.09 4.02 1.01 -0.42 -0.29 120.40 125.91 2c4z s VAL 44 Ca -0.03 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2c4z s VAL 44 Cb -0.05 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 2c4z s VAL 44 CO -0.01 0.28 -0.16 0.42 0.00 0.00 0.00 175.10 175.63 2c4z s THR 45 N 0.78 1.31 -0.08 3.92 -4.23 0.16 -0.84 115.64 116.65 2c4z s THR 45 Ca -0.13 -1.42 -0.09 0.00 -1.18 0.00 0.00 61.69 58.87 2c4z s THR 45 Cb -0.15 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.45 2c4z s THR 45 CO 0.02 -0.20 0.25 0.00 -0.54 0.00 0.00 174.62 174.14 2c4z s SER 47 N -0.10 -0.43 0.03 0.00 1.04 -0.77 -0.97 113.70 112.50 2c4z s SER 47 Ca -0.02 0.63 0.09 0.00 0.48 0.00 0.00 55.95 57.12 2c4z s SER 47 Cb -0.02 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 2c4z s SER 47 CO 0.01 -0.35 -0.25 -0.69 0.98 0.00 0.00 173.24 172.94 2c4z s VAL 48 N -0.56 2.23 -0.00 5.02 1.01 -1.26 -0.63 120.40 126.20 2c4z s VAL 48 Ca -0.07 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.50 2c4z s VAL 48 Cb -0.03 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.49 2c4z s VAL 48 CO 0.04 0.40 0.20 -0.60 0.00 0.00 0.00 175.10 175.14 2c4z s ARG 49 N -1.17 0.56 -1.33 2.72 3.52 -0.59 -4.98 118.95 117.69 2c4z s ARG 49 Ca 0.12 -0.34 -0.10 0.00 -0.13 0.00 0.00 55.73 55.28 2c4z s ARG 49 Cb -0.10 0.24 0.13 0.00 -1.56 0.00 0.00 34.95 33.66 2c4z s ARG 49 CO 0.02 -0.15 2.03 0.94 -0.81 0.00 0.00 175.30 177.34 2c4z n GLN 50 N 1.33 3.63 -0.40 5.12 -0.06 -1.26 -0.28 117.38 125.46 2c4z n GLN 50 Ca -0.22 -3.33 0.39 0.00 -2.00 0.00 0.00 57.00 51.84 2c4z n GLN 50 Cb 0.56 -2.94 0.68 0.00 -4.06 0.00 0.00 30.24 24.48 2c4z n GLN 50 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2c4z h SER 51 N 5.61 0.00 -5.50 1.69 4.64 -1.87 -3.43 113.55 114.70 2c4z h SER 51 Ca 0.48 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.55 2c4z h SER 51 Cb 0.58 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.58 2c4z h SER 51 CO 1.66 0.00 -0.23 -0.55 -0.87 0.00 0.00 176.83 176.84 2c4z s SER 52 N -4.14 0.71 0.39 4.97 0.15 -1.19 -4.97 113.70 109.62 2c4z s SER 52 Ca -0.04 -1.39 0.08 0.00 0.70 0.00 0.00 55.95 55.29 2c4z s SER 52 Cb 0.21 0.62 0.79 0.00 -1.71 0.00 0.00 66.02 65.93 2c4z s SER 52 CO 0.71 -1.22 1.96 0.00 1.20 0.00 0.00 173.24 175.89 2c4z h ALA 53 N 2.18 1.56 0.00 5.45 0.00 -2.03 -3.20 119.26 123.22 2c4z h ALA 53 Ca -0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2c4z h ALA 53 Cb 1.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2c4z h ALA 53 CO 0.39 0.33 -0.02 1.04 0.00 0.00 0.00 179.25 181.00 2c4z n GLN 54 N -4.35 1.27 -4.09 0.00 6.02 -1.26 -5.00 117.38 109.96 2c4z n GLN 54 Ca 0.01 -2.57 -0.10 0.00 -0.01 0.00 0.00 57.00 54.33 2c4z n GLN 54 Cb 0.19 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.86 2c4z n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2c4z s ASN 55 N -2.86 0.75 -0.02 1.08 0.02 -1.21 -2.04 114.94 110.67 2c4z s ASN 55 Ca 0.32 -0.83 0.03 0.00 -1.02 0.00 0.00 52.86 51.36 2c4z s ASN 55 Cb 0.28 0.11 -0.00 0.00 0.02 0.00 0.00 41.25 41.66 2c4z s ASN 55 CO 0.03 -0.42 -0.12 -0.13 0.02 0.00 0.00 177.10 176.47 2c4z s ARG 56 N -3.02 1.12 -0.11 -0.60 0.52 -0.59 -3.01 118.95 113.26 2c4z s ARG 56 Ca 0.02 -0.43 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 2c4z s ARG 56 Cb 0.01 -1.05 0.01 0.00 0.52 0.00 0.00 34.95 34.44 2c4z s ARG 56 CO -0.05 0.21 -0.16 0.21 0.02 0.00 0.00 175.30 175.54 2c4z s LYS 57 N -0.08 2.25 -0.13 3.54 2.20 0.62 -0.88 119.74 127.26 2c4z s LYS 57 Ca 0.01 -0.58 -0.09 0.00 -0.36 0.00 0.00 55.97 54.95 2c4z s LYS 57 Cb -0.07 -1.89 -0.05 0.00 -1.51 0.00 0.00 37.83 34.32 2c4z s LYS 57 CO 0.00 -0.04 0.19 0.71 -0.36 0.00 0.00 175.35 175.85 2c4z s TYR 58 N 0.91 3.55 -0.23 4.03 1.51 0.17 -1.54 117.35 125.76 2c4z s TYR 58 Ca -0.08 0.54 0.02 0.00 -1.01 0.00 0.00 57.07 56.54 2c4z s TYR 58 Cb -0.15 -2.08 0.05 0.00 -0.11 0.00 0.00 41.96 39.67 2c4z s TYR 58 CO -0.00 0.56 -0.11 0.99 -1.11 0.00 0.00 175.55 175.88 2c4z s THR 59 N -0.51 1.92 -0.06 -0.71 2.01 0.19 -1.13 115.64 117.34 2c4z s THR 59 Ca 0.15 -1.34 0.04 0.00 0.31 0.00 0.00 61.69 60.85 2c4z s THR 59 Cb -0.12 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2c4z s THR 59 CO 0.04 0.06 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.21 2c4z s ILE 60 N 1.24 2.57 -0.01 1.82 1.01 -0.30 -1.85 121.20 125.68 2c4z s ILE 60 Ca -0.05 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.73 2c4z s ILE 60 Cb -0.18 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.31 2c4z s ILE 60 CO -0.07 0.57 -0.03 -0.54 0.00 0.00 0.00 174.94 174.87 2c4z s LYS 61 N -0.31 0.39 -0.00 2.79 1.02 -0.43 -0.87 119.74 122.33 2c4z s LYS 61 Ca 0.02 -0.09 0.05 0.00 0.02 0.00 0.00 55.97 55.97 2c4z s LYS 61 Cb -0.13 -0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 36.74 2c4z s LYS 61 CO 0.02 0.01 -0.16 0.08 -0.92 0.00 0.00 175.35 174.39 2c4z s VAL 62 N 0.31 1.28 -0.19 3.17 1.01 -0.57 -0.66 120.40 124.75 2c4z s VAL 62 Ca -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2c4z s VAL 62 Cb -0.06 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.28 2c4z s VAL 62 CO -0.00 0.31 -0.12 -1.61 0.00 0.00 0.00 175.10 173.68 2c4z s GLU 63 N -0.51 2.14 -0.27 2.72 2.02 0.61 -1.62 118.70 123.79 2c4z s GLU 63 Ca 0.06 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.19 2c4z s GLU 63 Cb -0.07 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 2c4z s GLU 63 CO -0.00 -0.37 0.10 0.08 0.02 0.00 0.00 175.26 175.08 2c4z s VAL 64 N 1.41 4.40 0.19 2.63 1.01 -0.51 -2.57 120.40 126.96 2c4z s VAL 64 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2c4z s VAL 64 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2c4z s VAL 64 CO -0.09 0.24 0.35 -2.16 0.00 0.00 0.00 175.10 173.44 2c4z s PRO 65 N 1.61 3.47 -0.47 2.72 0.04 -1.26 -0.54 135.00 140.57 2c4z s PRO 65 Ca 0.06 -0.50 -0.06 0.00 0.04 0.00 0.00 61.00 60.54 2c4z s PRO 65 Cb -0.16 -2.89 0.12 0.00 0.04 0.00 0.00 34.50 31.62 2c4z s PRO 65 CO 0.05 0.44 0.31 0.21 0.04 0.00 0.00 177.00 178.05 2c4z s LYS 66 N -3.41 2.33 0.41 4.56 2.47 -0.65 -4.99 119.74 120.46 2c4z s LYS 66 Ca 0.36 -1.87 -0.25 0.00 -1.56 0.00 0.00 55.97 52.65 2c4z s LYS 66 Cb -0.11 -3.79 -0.08 0.00 -1.46 0.00 0.00 37.83 32.39 2c4z s LYS 66 CO 0.29 -1.15 1.23 0.14 0.16 0.00 0.00 175.35 176.02 2c4z s VAL 67 N 1.12 2.90 0.24 4.02 -7.23 -1.26 -0.30 120.40 119.88 2c4z s VAL 67 Ca 0.08 0.76 -0.19 0.00 -1.81 0.00 0.00 61.98 60.82 2c4z s VAL 67 Cb -0.24 -3.43 0.02 0.00 0.56 0.00 0.00 36.38 33.29 2c4z s VAL 67 CO -0.03 0.08 0.61 0.00 -0.31 0.00 0.00 175.10 175.46 2c4z s ALA 68 N -1.36 -1.03 -0.27 1.32 0.00 -0.40 -4.74 121.76 115.28 2c4z s ALA 68 Ca 0.58 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 2c4z s ALA 68 Cb -0.34 0.89 0.04 0.00 0.00 0.00 0.00 23.12 23.72 2c4z s ALA 68 CO 0.43 -0.92 -0.05 0.99 0.00 0.00 0.00 175.76 176.21 2c4z s THR 69 N -3.90 2.74 -0.07 0.00 2.01 -1.26 -1.02 115.64 114.13 2c4z s THR 69 Ca 0.11 -1.34 -0.04 0.00 0.31 0.00 0.00 61.69 60.74 2c4z s THR 69 Cb -0.03 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 2c4z s THR 69 CO 0.02 0.01 0.09 -1.58 -0.69 0.00 0.00 174.62 172.48 2c4z s GLN 70 N 1.24 3.22 -0.55 4.92 0.74 -0.51 -4.87 119.66 123.85 2c4z s GLN 70 Ca -0.04 -0.31 -0.16 0.00 0.05 0.00 0.00 55.36 54.90 2c4z s GLN 70 Cb -0.19 -2.99 0.13 0.00 1.10 0.00 0.00 33.01 31.06 2c4z s GLN 70 CO -0.03 0.72 0.50 0.99 -0.55 0.00 0.00 175.29 176.92 2c4z s THR 71 N -1.05 5.21 -0.14 -0.34 2.01 -1.26 -0.20 115.64 119.87 2c4z s THR 71 Ca 0.17 -1.52 -0.03 0.00 0.31 0.00 0.00 61.69 60.62 2c4z s THR 71 Cb -0.12 -4.34 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 2c4z s THR 71 CO 0.07 -0.87 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.39 2c4z s VAL 72 N 1.57 3.80 -1.48 3.82 1.01 0.61 -4.49 120.40 125.23 2c4z s VAL 72 Ca 0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2c4z s VAL 72 Cb -0.30 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.46 2c4z s VAL 72 CO 0.03 0.51 0.47 0.61 0.00 0.00 0.00 175.10 176.72 2c4z n GLY 73 N 3.41 -0.51 2.31 4.51 0.00 -1.26 -0.99 105.19 112.66 2c4z n GLY 73 Ca -0.18 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 2c4z n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c4z n GLY 74 N -1.34 0.92 3.12 -0.02 0.00 -1.26 -5.01 105.19 101.60 2c4z n GLY 74 Ca -0.11 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 2c4z n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c4z s VAL 75 N -2.18 1.20 -0.07 1.61 1.01 -0.16 -5.09 120.40 116.72 2c4z s VAL 75 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 2c4z s VAL 75 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2c4z s VAL 75 CO 0.00 0.34 0.83 -1.61 0.00 0.00 0.00 175.10 174.66 2c4z s GLU 76 N -0.26 4.44 0.02 2.72 2.02 -1.26 -0.29 118.70 126.10 2c4z s GLU 76 Ca 0.04 1.09 0.05 0.00 0.02 0.00 0.00 54.97 56.17 2c4z s GLU 76 Cb -0.07 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 2c4z s GLU 76 CO -0.00 -0.08 -0.15 -0.51 0.02 0.00 0.00 175.26 174.54 2c4z s LEU 77 N 1.25 2.12 0.07 1.80 1.43 0.72 -4.96 118.68 121.10 2c4z s LEU 77 Ca 0.42 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 2c4z s LEU 77 Cb -0.18 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 2c4z s LEU 77 CO 0.19 0.10 1.15 -2.16 0.23 0.00 0.00 176.35 175.87 2c4z s PRO 78 N -0.85 4.47 0.22 1.29 0.04 -1.26 -1.42 135.00 137.49 2c4z s PRO 78 Ca 0.04 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.74 2c4z s PRO 78 Cb -0.07 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.13 2c4z s PRO 78 CO 0.01 -0.18 0.37 1.55 0.04 0.00 0.00 177.00 178.79 2c4z n VAL 79 N 3.72 0.00 -4.10 -0.36 3.14 -0.19 -4.77 118.33 115.77 2c4z n VAL 79 Ca 0.08 -0.85 -0.33 0.00 -2.96 0.00 0.00 64.34 60.28 2c4z n VAL 79 Cb 0.47 0.62 -0.16 0.00 -1.06 0.00 0.00 33.84 33.72 2c4z n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2c4z s ALA 80 N -2.00 2.40 0.22 1.55 0.00 -1.25 -1.27 121.76 121.41 2c4z s ALA 80 Ca 0.14 -1.30 -0.07 0.00 0.00 0.00 0.00 51.96 50.72 2c4z s ALA 80 Cb -0.02 -1.28 0.31 0.00 0.00 0.00 0.00 23.12 22.14 2c4z s ALA 80 CO 0.10 -0.48 1.79 0.00 0.00 0.00 0.00 175.76 177.17 2c4z h ALA 81 N 7.93 0.98 -2.46 0.00 0.00 -0.95 -3.46 119.26 121.30 2c4z h ALA 81 Ca -0.42 0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.68 2c4z h ALA 81 Cb 1.13 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 2c4z h ALA 81 CO 0.61 0.01 0.44 1.67 0.00 0.00 0.00 179.25 181.97 2c4z s TRP 82 N -6.07 -0.18 0.03 0.00 1.48 -1.25 -5.03 118.94 107.92 2c4z s TRP 82 Ca -0.13 -0.13 0.04 0.00 -1.06 0.00 0.00 56.10 54.82 2c4z s TRP 82 Cb 0.18 0.64 -0.02 0.00 -1.16 0.00 0.00 33.47 33.10 2c4z s TRP 82 CO 0.76 -0.86 -0.11 1.03 -4.06 0.00 0.00 176.95 173.71 2c4z s ARG 83 N -3.38 0.78 -0.15 3.25 0.52 -1.26 -1.63 118.95 117.08 2c4z s ARG 83 Ca 0.11 -0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 54.60 2c4z s ARG 83 Cb -0.02 -0.73 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 2c4z s ARG 83 CO 0.01 0.18 0.03 0.45 0.02 0.00 0.00 175.30 175.99 2c4z s SER 84 N -1.05 5.40 -0.10 0.23 0.15 0.30 -4.96 113.70 113.67 2c4z s SER 84 Ca -0.01 0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.74 2c4z s SER 84 Cb -0.07 -1.81 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 2c4z s SER 84 CO 0.01 0.24 -0.15 -0.31 1.20 0.00 0.00 173.24 174.23 2c4z s TYR 85 N -0.06 2.73 -0.18 3.44 1.51 -1.26 -1.42 117.35 122.10 2c4z s TYR 85 Ca 0.05 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 2c4z s TYR 85 Cb -0.12 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 40.00 2c4z s TYR 85 CO 0.02 -0.09 -0.18 -1.17 -1.11 0.00 0.00 175.55 173.02 2c4z s LEU 86 N -0.05 2.26 -0.16 -1.29 2.96 -0.64 -5.01 118.68 116.76 2c4z s LEU 86 Ca -0.03 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.28 2c4z s LEU 86 Cb -0.14 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.05 2c4z s LEU 86 CO 0.04 0.01 -0.16 0.20 -1.32 0.00 0.00 176.35 175.12 2c4z s ASN 87 N 1.26 2.79 -0.02 3.68 0.01 -1.26 -1.51 114.94 119.90 2c4z s ASN 87 Ca 0.04 -0.52 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 2c4z s ASN 87 Cb -0.13 -1.25 -0.01 0.00 0.41 0.00 0.00 41.25 40.27 2c4z s ASN 87 CO -0.10 -0.04 -0.13 0.00 -1.51 0.00 0.00 177.10 175.32 2c4z s MET 88 N 1.44 1.14 -0.09 -0.60 0.23 -0.05 -5.02 119.30 116.35 2c4z s MET 88 Ca 0.05 -0.46 0.03 0.00 -1.03 0.00 0.00 55.69 54.28 2c4z s MET 88 Cb -0.13 -1.08 0.00 0.00 -1.53 0.00 0.00 34.83 32.10 2c4z s MET 88 CO -0.11 0.25 -0.20 -1.21 -2.03 0.00 0.00 175.02 171.72 2c4z s GLU 89 N -0.18 2.58 -0.18 3.16 2.02 -1.26 -1.15 118.70 123.68 2c4z s GLU 89 Ca 0.03 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.31 2c4z s GLU 89 Cb -0.06 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.20 2c4z s GLU 89 CO -0.00 0.13 -0.20 -1.17 0.02 0.00 0.00 175.26 174.04 2c4z s LEU 90 N 0.44 2.17 -0.24 1.80 2.96 -0.28 -4.96 118.68 120.58 2c4z s LEU 90 Ca -0.17 -0.67 -0.07 0.00 -0.22 0.00 0.00 54.13 53.00 2c4z s LEU 90 Cb -0.17 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 2c4z s LEU 90 CO 0.07 -0.01 0.05 -0.89 -1.32 0.00 0.00 176.35 174.26 2c4z s THR 91 N 1.28 4.15 -0.10 3.68 2.01 -1.26 -0.65 115.64 124.75 2c4z s THR 91 Ca 0.05 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.86 2c4z s THR 91 Cb -0.13 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.45 2c4z s THR 91 CO -0.13 0.35 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.30 2c4z s ILE 92 N 1.59 1.99 0.49 1.82 1.01 -0.06 -4.96 121.20 123.08 2c4z s ILE 92 Ca 0.06 -0.98 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 2c4z s ILE 92 Cb -0.15 -1.73 -0.07 0.00 0.01 0.00 0.00 42.46 40.52 2c4z s ILE 92 CO 0.02 0.54 1.22 -2.16 0.00 0.00 0.00 174.94 174.56 2c4z s PRO 93 N 0.43 3.55 0.12 2.79 0.04 -1.26 -1.55 135.00 139.12 2c4z s PRO 93 Ca -0.17 1.89 0.12 0.00 0.04 0.00 0.00 61.00 62.88 2c4z s PRO 93 Cb -0.18 -2.34 0.57 0.00 0.04 0.00 0.00 34.50 32.60 2c4z s PRO 93 CO 0.07 -0.75 1.37 0.44 0.04 0.00 0.00 177.00 178.16 2c4z n ILE 94 N -0.70 1.39 1.27 0.56 -5.35 -0.86 -1.91 119.36 113.76 2c4z n ILE 94 Ca 0.08 0.48 0.14 0.00 -0.27 0.00 0.00 62.75 63.18 2c4z n ILE 94 Cb 0.47 -1.42 0.56 0.00 -1.74 0.00 0.00 39.64 37.52 2c4z n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2c4z n PHE 95 N -1.80 0.00 -2.31 4.28 3.72 -1.26 -4.85 117.46 115.24 2c4z n PHE 95 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2c4z n PHE 95 Cb 0.07 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.33 2c4z n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2c4z s ALA 96 N -2.65 3.49 0.87 4.37 0.00 -0.80 -5.02 121.76 122.02 2c4z s ALA 96 Ca 0.23 0.94 -0.10 0.00 0.00 0.00 0.00 51.96 53.04 2c4z s ALA 96 Cb 0.19 -3.50 0.18 0.00 0.00 0.00 0.00 23.12 19.99 2c4z s ALA 96 CO 0.52 -0.56 1.20 0.95 0.00 0.00 0.00 175.76 177.87 2c4z s THR 97 N 1.26 2.04 0.28 0.00 -4.23 -1.26 -4.86 115.64 108.87 2c4z s THR 97 Ca 0.61 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 2c4z s THR 97 Cb -0.32 -2.81 0.15 0.00 1.34 0.00 0.00 72.50 70.86 2c4z s THR 97 CO 0.29 0.00 1.82 0.78 -0.54 0.00 0.00 174.62 176.97 2c4z h ASN 98 N -1.23 0.77 0.35 3.99 2.35 -1.99 -1.55 115.58 118.28 2c4z h ASN 98 Ca -0.41 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.10 2c4z h ASN 98 Cb 1.24 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 2c4z h ASN 98 CO 0.38 0.77 -0.41 0.77 -1.65 0.00 0.00 177.43 177.29 2c4z h SER 99 N 0.80 0.08 -0.25 5.81 4.64 -1.99 -0.59 113.55 122.05 2c4z h SER 99 Ca 0.17 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 2c4z h SER 99 Cb 0.31 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2c4z h SER 99 CO 0.00 0.49 -0.30 0.44 -0.87 0.00 0.00 176.83 176.59 2c4z h ASP 100 N 0.07 0.79 0.16 4.97 3.32 -1.70 -2.69 116.42 121.34 2c4z h ASP 100 Ca 0.00 -0.32 -0.16 0.00 0.02 0.00 0.00 57.03 56.58 2c4z h ASP 100 Cb 0.76 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2c4z h ASP 100 CO 0.06 1.03 -0.60 0.00 -1.72 0.00 0.00 179.24 178.01 2c4z h GLU 102 N 0.33 0.48 -0.65 0.00 5.08 -0.98 -1.51 114.58 117.33 2c4z h GLU 102 Ca -0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2c4z h GLU 102 Cb 1.13 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2c4z h GLU 102 CO 0.10 0.39 0.09 1.25 -1.00 0.00 0.00 179.01 179.85 2c4z h LEU 103 N 0.48 1.03 -0.26 1.33 5.85 -1.18 -1.57 115.31 120.99 2c4z h LEU 103 Ca 0.12 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 2c4z h LEU 103 Cb 0.09 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2c4z h LEU 103 CO -0.01 1.03 -0.03 0.40 -0.34 0.00 0.00 178.44 179.49 2c4z h ILE 104 N 1.00 1.27 -0.39 4.05 2.04 -1.11 -2.19 117.51 122.19 2c4z h ILE 104 Ca 0.20 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.08 2c4z h ILE 104 Cb 0.45 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2c4z h ILE 104 CO 0.01 0.31 0.22 0.58 0.00 0.00 0.00 178.15 179.28 2c4z h VAL 105 N 0.25 1.03 -0.63 1.67 2.07 -1.11 -1.96 116.25 117.57 2c4z h VAL 105 Ca 0.07 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2c4z h VAL 105 Cb 0.47 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2c4z h VAL 105 CO 0.02 0.08 0.41 0.11 0.02 0.00 0.00 177.57 178.21 2c4z h LYS 106 N 0.45 0.83 -0.60 1.57 1.57 -1.22 -1.45 116.57 117.72 2c4z h LYS 106 Ca 0.16 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2c4z h LYS 106 Cb 0.02 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2c4z h LYS 106 CO -0.08 0.56 0.18 0.00 -0.57 0.00 0.00 179.45 179.54 2c4z h ALA 107 N 1.60 0.79 -0.02 3.86 0.00 -0.73 0.25 119.26 124.99 2c4z h ALA 107 Ca 0.23 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2c4z h ALA 107 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2c4z h ALA 107 CO -0.05 0.46 -0.42 0.52 0.00 0.00 0.00 179.25 179.76 2c4z h MET 108 N 0.85 0.05 -0.07 0.00 2.86 -0.70 -0.33 114.93 117.59 2c4z h MET 108 Ca 0.19 -0.02 -0.24 0.00 -2.06 0.00 0.00 59.70 57.57 2c4z h MET 108 Cb 0.30 -0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.97 2c4z h MET 108 CO -0.00 0.46 -0.90 1.96 1.06 0.00 0.00 176.91 179.48 2c4z h GLN 109 N 0.04 0.74 -0.32 1.72 4.20 -0.86 -3.15 115.11 117.47 2c4z h GLN 109 Ca 0.00 -0.70 -0.10 0.00 0.06 0.00 0.00 58.65 57.91 2c4z h GLN 109 Cb 0.76 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 2c4z h GLN 109 CO 0.06 1.29 -0.23 0.78 -0.67 0.00 0.00 178.83 180.05 2c4z h GLY 110 N 0.44 0.67 0.82 3.46 0.00 -0.71 -2.53 103.07 105.22 2c4z h GLY 110 Ca -0.09 -0.55 0.08 0.00 0.00 0.00 0.00 47.33 46.76 2c4z h GLY 110 CO 0.18 0.51 0.58 -2.00 0.00 0.00 0.00 176.54 175.80 2c4z h LEU 111 N 0.54 0.85 -2.46 3.11 5.85 -1.05 -2.94 115.31 119.21 2c4z h LEU 111 Ca 0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2c4z h LEU 111 Cb 0.69 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2c4z h LEU 111 CO 0.05 0.53 0.00 0.18 -0.34 0.00 0.00 178.44 178.86 2c4z n LEU 112 N -4.50 3.39 -4.77 2.25 4.77 -1.11 -4.40 117.00 112.63 2c4z n LEU 112 Ca 0.14 -1.67 -0.41 0.00 -0.03 0.00 0.00 56.01 54.04 2c4z n LEU 112 Cb 0.24 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 2c4z n LEU 112 CO 0.32 0.78 1.06 -0.75 -1.33 0.00 0.00 177.39 177.47 2c4z s LYS 113 N -1.24 4.25 0.20 3.23 2.20 -0.97 -4.80 119.74 122.61 2c4z s LYS 113 Ca 0.37 2.36 -0.32 0.00 -0.36 0.00 0.00 55.97 58.02 2c4z s LYS 113 Cb 0.21 -3.04 -0.15 0.00 -1.51 0.00 0.00 37.83 33.33 2c4z s LYS 113 CO 0.28 -0.36 1.14 -0.25 -0.36 0.00 0.00 175.35 175.80 2c4z n ASP 114 N 1.04 1.37 0.00 1.43 8.00 -1.26 -1.65 116.55 125.48 2c4z n ASP 114 Ca 0.02 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.67 2c4z n ASP 114 Cb 0.40 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 2c4z n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c4z n GLY 115 N 1.89 3.36 3.86 0.44 0.00 -1.26 -5.05 105.19 108.43 2c4z n GLY 115 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2c4z n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c4z s ASN 116 N -0.98 6.30 0.03 1.61 0.01 -0.66 -4.90 114.94 116.36 2c4z s ASN 116 Ca 0.00 1.49 -0.06 0.00 -0.71 0.00 0.00 52.86 53.58 2c4z s ASN 116 Cb 0.00 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 2c4z s ASN 116 CO 0.00 -0.82 1.03 -2.65 -1.51 0.00 0.00 177.10 173.16 2c4z n PRO 117 N -2.38 -0.08 0.11 -0.60 -0.02 -1.26 -2.22 135.00 128.55 2c4z n PRO 117 Ca 0.06 1.03 -0.13 0.00 -2.02 0.00 0.00 63.50 62.45 2c4z n PRO 117 Cb 0.54 -1.53 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 2c4z n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2c4z h ILE 118 N 0.00 0.42 0.00 4.25 2.04 -1.94 -1.14 117.51 121.13 2c4z h ILE 118 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2c4z h ILE 118 Cb 0.08 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2c4z h ILE 118 CO -0.18 0.00 -0.06 1.55 0.00 0.00 0.00 178.15 179.46 2c4z h PRO 119 N -0.46 0.00 -0.36 2.37 0.13 -1.76 -1.98 132.00 129.94 2c4z h PRO 119 Ca 0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.02 2c4z h PRO 119 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2c4z h PRO 119 CO -0.16 0.06 -0.36 0.77 -0.23 0.00 0.00 178.00 178.08 2c4z h SER 120 N 0.00 0.89 -0.00 1.44 0.02 -0.83 -2.18 113.55 112.88 2c4z h SER 120 Ca -0.00 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2c4z h SER 120 Cb 0.17 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2c4z h SER 120 CO 0.01 1.15 -0.00 0.00 -1.14 0.00 0.00 176.83 176.84 2c4z h ALA 121 N 0.89 0.01 -0.41 3.77 0.00 -0.60 -2.82 119.26 120.10 2c4z h ALA 121 Ca 0.06 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2c4z h ALA 121 Cb 0.93 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2c4z h ALA 121 CO 0.09 -0.23 0.01 0.82 0.00 0.00 0.00 179.25 179.94 2c4z h ILE 122 N -0.52 0.70 0.00 0.00 2.04 -1.40 -0.78 117.51 117.55 2c4z h ILE 122 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2c4z h ILE 122 Cb 0.53 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2c4z h ILE 122 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.17 2c4z h ALA 123 N 1.35 1.00 -0.43 1.87 0.00 -1.44 -2.58 119.26 119.03 2c4z h ALA 123 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2c4z h ALA 123 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2c4z h ALA 123 CO -0.33 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.92 2c4z n ALA 124 N -1.92 2.27 -3.08 0.00 0.00 -0.38 -4.97 120.51 112.43 2c4z n ALA 124 Ca 0.01 -1.13 -0.22 0.00 0.00 0.00 0.00 53.44 52.09 2c4z n ALA 124 Cb 0.21 -0.60 0.03 0.00 0.00 0.00 0.00 19.45 19.09 2c4z n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2c4z n ASN 125 N 0.92 -5.58 -3.89 0.00 3.02 -0.70 -4.97 115.26 104.06 2c4z n ASN 125 Ca 0.15 -0.30 -0.25 0.00 -0.03 0.00 0.00 54.58 54.15 2c4z n ASN 125 Cb 0.49 -4.53 -0.07 0.00 -0.61 0.00 0.00 39.78 35.06 2c4z n ASN 125 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2c4z n SER 126 N -2.46 1.34 -1.58 6.41 3.41 -0.81 -5.05 113.62 114.87 2c4z n SER 126 Ca -0.09 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 2c4z n SER 126 Cb 0.60 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 2c4z n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c4z n GLY 127 N -0.78 2.22 3.75 5.00 0.00 -1.26 -4.33 105.19 109.79 2c4z n GLY 127 Ca -0.07 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 2c4z n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c4z s ILE 128 N 1.04 5.38 0.00 -0.61 -1.09 -1.26 -4.82 121.20 119.84 2c4z s ILE 128 Ca 0.00 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 2c4z s ILE 128 Cb 0.00 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 2c4z s ILE 128 CO 0.00 0.45 0.00 0.00 -1.23 0.00 0.00 174.94 174.16