#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw4 s GLN 2 N 0.00 2.07 -0.00 3.44 0.74 -1.26 -2.37 119.66 122.28 1bw4 s GLN 2 Ca 0.00 -1.68 0.08 0.00 0.05 0.00 0.00 55.36 53.81 1bw4 s GLN 2 Cb 0.00 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.63 1bw4 s GLN 2 CO 0.00 -0.95 -0.24 0.00 -0.55 0.00 0.00 175.29 173.55 1bw4 s ALA 3 N 1.16 2.04 0.40 1.58 0.00 -1.10 -5.06 121.76 120.77 1bw4 s ALA 3 Ca 0.05 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.98 1bw4 s ALA 3 Cb -0.22 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 1bw4 s ALA 3 CO -0.04 0.49 0.03 -0.80 0.00 0.00 0.00 175.76 175.45 1bw4 s ASN 4 N -0.73 3.34 -1.03 0.00 0.02 -1.26 -2.68 114.94 112.60 1bw4 s ASN 4 Ca 0.10 -1.43 -0.29 0.00 -1.02 0.00 0.00 52.86 50.22 1bw4 s ASN 4 Cb -0.09 -0.10 0.04 0.00 0.02 0.00 0.00 41.25 41.11 1bw4 s ASN 4 CO -0.00 -0.59 0.58 -0.67 0.02 0.00 0.00 177.10 176.44 1bw4 n ASP 5 N -0.94 -3.57 -4.61 -1.22 2.03 -1.23 -4.88 116.55 102.14 1bw4 n ASP 5 Ca -0.06 -1.12 -0.37 0.00 0.52 0.00 0.00 54.79 53.77 1bw4 n ASP 5 Cb 0.67 -1.36 -0.10 0.00 -0.72 0.00 0.00 41.12 39.60 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1bw4 s VAL 6 N -3.66 5.15 -1.03 5.18 1.01 -0.48 -4.94 120.40 121.63 1bw4 s VAL 6 Ca 0.40 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.26 1bw4 s VAL 6 Cb -0.22 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1bw4 s VAL 6 CO 0.84 0.33 1.76 -0.13 0.00 0.00 0.00 175.10 177.90 1bw4 s ARG 7 N 1.28 3.05 0.28 2.72 0.52 -1.26 -1.98 118.95 123.56 1bw4 s ARG 7 Ca 0.07 -0.90 -0.16 0.00 -0.52 0.00 0.00 55.73 54.22 1bw4 s ARG 7 Cb -0.14 -5.24 -0.09 0.00 0.52 0.00 0.00 34.95 30.00 1bw4 s ARG 7 CO 0.06 -2.96 0.71 0.00 0.02 0.00 0.00 175.30 173.13 1bw4 s ALA 8 N 7.88 3.38 0.56 2.13 0.00 0.20 -4.91 121.76 130.99 1bw4 s ALA 8 Ca 0.60 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1bw4 s ALA 8 Cb -0.02 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.39 1bw4 s ALA 8 CO -0.01 0.35 0.79 0.95 0.00 0.00 0.00 175.76 177.84 1bw4 s THR 9 N -1.82 2.62 -0.54 0.00 -4.23 -1.26 -0.05 115.64 110.36 1bw4 s THR 9 Ca 0.50 -0.67 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1bw4 s THR 9 Cb -0.12 -2.95 0.36 0.00 1.34 0.00 0.00 72.50 71.13 1bw4 s THR 9 CO 0.19 0.00 0.99 0.00 -0.54 0.00 0.00 174.62 175.26 1bw4 n TYR 10 N -2.38 3.83 -3.09 3.99 4.11 -1.05 -4.72 117.16 117.85 1bw4 n TYR 10 Ca 0.09 -3.76 -0.45 0.00 -0.00 0.00 0.00 57.90 53.78 1bw4 n TYR 10 Cb 0.60 -0.38 -0.04 0.00 -0.00 0.00 0.00 39.34 39.52 1bw4 n TYR 10 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bw4 s HIS 11 N -3.48 3.15 -0.93 -3.48 2.46 -0.86 -4.91 115.29 107.24 1bw4 s HIS 11 Ca 0.49 -1.23 -0.14 0.00 0.47 0.00 0.00 55.06 54.65 1bw4 s HIS 11 Cb 0.31 -4.06 0.22 0.00 -0.13 0.00 0.00 32.58 28.92 1bw4 s HIS 11 CO -0.15 -1.31 0.94 1.52 -2.47 0.00 0.00 174.74 173.27 1bw4 s TYR 12 N 2.30 3.77 0.93 3.88 -0.85 -1.24 -2.54 117.35 123.61 1bw4 s TYR 12 Ca 0.18 -2.07 -0.11 0.00 -0.52 0.00 0.00 57.07 54.56 1bw4 s TYR 12 Cb -0.17 -3.92 0.13 0.00 0.38 0.00 0.00 41.96 38.38 1bw4 s TYR 12 CO -0.00 -1.08 0.96 0.98 -1.52 0.00 0.00 175.55 174.89 1bw4 n TYR 13 N 4.17 0.25 -3.34 -3.49 9.36 0.34 -3.88 117.16 120.57 1bw4 n TYR 13 Ca 0.19 0.35 -0.46 0.00 3.32 0.00 0.00 57.90 61.30 1bw4 n TYR 13 Cb 0.45 -1.94 -0.01 0.00 -0.63 0.00 0.00 39.34 37.21 1bw4 n TYR 13 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1bw4 s ARG 14 N -4.39 3.90 0.00 2.98 0.52 -1.26 -1.27 118.95 119.43 1bw4 s ARG 14 Ca 0.65 -2.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.00 1bw4 s ARG 14 Cb -0.23 -4.49 0.00 0.00 0.52 0.00 0.00 34.95 30.76 1bw4 s ARG 14 CO 0.60 -1.26 0.82 -0.35 0.02 0.00 0.00 175.30 175.13 1bw4 n PRO 15 N 3.31 0.00 -0.02 3.54 -0.04 -1.26 -3.59 135.00 136.94 1bw4 n PRO 15 Ca 0.19 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1bw4 n PRO 15 Cb 0.43 -1.32 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 n ALA 16 N -1.59 0.01 0.00 0.55 0.00 -1.26 -2.06 120.51 116.16 1bw4 n ALA 16 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1bw4 n ALA 16 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1bw4 n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bw4 n GLN 17 N -4.07 0.00 -2.78 0.00 7.27 -1.24 0.72 117.38 117.28 1bw4 n GLN 17 Ca 0.01 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.83 1bw4 n GLN 17 Cb 0.02 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.65 1bw4 n GLN 17 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1bw4 n ASN 18 N -3.84 4.08 -1.25 1.69 5.15 -0.87 -4.95 115.26 115.27 1bw4 n ASN 18 Ca 0.00 -3.58 0.00 0.00 -0.60 0.00 0.00 54.58 50.40 1bw4 n ASN 18 Cb 0.00 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw4 n ASN 19 N -0.28 -0.21 -0.13 1.20 2.85 0.22 -0.09 115.26 118.82 1bw4 n ASN 19 Ca 0.32 0.11 -0.01 0.00 -0.11 0.00 0.00 54.58 54.88 1bw4 n ASN 19 Cb 0.54 -0.57 -0.00 0.00 1.24 0.00 0.00 39.78 40.99 1bw4 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw4 n TRP 20 N -1.24 -0.03 -1.57 1.20 7.02 -1.26 -4.94 117.44 116.62 1bw4 n TRP 20 Ca 0.00 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.12 1bw4 n TRP 20 Cb 0.11 -0.93 -0.04 0.00 -2.42 0.00 0.00 31.31 28.03 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw4 n ASP 21 N 1.75 7.94 0.26 -0.99 2.03 0.87 -4.46 116.55 123.96 1bw4 n ASP 21 Ca -0.02 -2.85 0.08 0.00 0.52 0.00 0.00 54.79 52.53 1bw4 n ASP 21 Cb 0.26 -1.44 0.45 0.00 -0.72 0.00 0.00 41.12 39.67 1bw4 n ASP 21 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1bw4 h LEU 22 N 5.95 0.00 -1.67 -2.67 3.38 -1.89 0.13 115.31 118.53 1bw4 h LEU 22 Ca 0.70 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.82 1bw4 h LEU 22 Cb 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1bw4 h LEU 22 CO 1.43 0.00 0.48 1.23 0.09 0.00 0.00 178.44 181.67 1bw4 h GLY 23 N 0.00 0.55 -6.86 0.83 0.00 -1.83 -0.50 103.07 95.26 1bw4 h GLY 23 Ca 0.00 -0.14 -0.83 0.00 0.00 0.00 0.00 47.33 46.36 1bw4 h GLY 23 CO 0.00 0.05 0.88 0.00 0.00 0.00 0.00 176.54 177.47 1bw4 n ALA 24 N -2.55 -0.82 -0.09 3.60 0.00 0.43 -4.55 120.51 116.53 1bw4 n ALA 24 Ca 0.14 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.94 1bw4 n ALA 24 Cb 0.56 -1.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 1bw4 n ALA 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bw4 n PRO 25 N 5.06 -0.10 0.00 0.00 -0.04 -1.26 -0.62 135.00 138.04 1bw4 n PRO 25 Ca 0.38 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.52 1bw4 n PRO 25 Cb -0.05 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 n ALA 26 N -2.96 0.69 -0.02 0.55 0.00 -1.26 -3.73 120.51 113.79 1bw4 n ALA 26 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 1bw4 n ALA 26 Cb 0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 1bw4 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw4 n VAL 27 N -1.31 0.75 -3.41 0.00 0.31 0.21 -5.07 118.33 109.82 1bw4 n VAL 27 Ca 0.00 0.27 -0.17 0.00 -0.01 0.00 0.00 64.34 64.43 1bw4 n VAL 27 Cb 0.15 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1bw4 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw4 n SER 28 N -3.34 -2.39 -4.74 4.52 3.41 -0.20 -4.97 113.62 105.92 1bw4 n SER 28 Ca -0.04 -0.57 -0.32 0.00 -0.26 0.00 0.00 58.87 57.67 1bw4 n SER 28 Cb 0.16 -0.83 0.09 0.00 -0.26 0.00 0.00 64.21 63.37 1bw4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw4 s ALA 29 N -3.04 2.15 0.14 7.33 0.00 -1.26 -4.88 121.76 122.21 1bw4 s ALA 29 Ca 0.08 0.53 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 1bw4 s ALA 29 Cb -0.04 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1bw4 s ALA 29 CO 0.48 -1.82 1.28 0.98 0.00 0.00 0.00 175.76 176.69 1bw4 n TYR 30 N -3.15 -0.30 0.94 0.00 4.19 -1.26 -0.61 117.16 116.96 1bw4 n TYR 30 Ca 0.11 1.04 0.11 0.00 3.31 0.00 0.00 57.90 62.46 1bw4 n TYR 30 Cb 0.52 -0.60 0.31 0.00 0.49 0.00 0.00 39.34 40.06 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw4 n ALA 32 N 0.74 -0.39 -0.02 0.00 0.00 0.22 0.10 120.51 121.17 1bw4 n ALA 32 Ca 0.17 0.78 0.23 0.00 0.00 0.00 0.00 53.44 54.62 1bw4 n ALA 32 Cb 0.43 -0.22 0.63 0.00 0.00 0.00 0.00 19.45 20.30 1bw4 n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bw4 h THR 33 N 0.00 0.22 0.00 0.00 2.02 -1.80 0.30 112.91 113.65 1bw4 h THR 33 Ca 0.20 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 67.12 1bw4 h THR 33 Cb 0.41 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1bw4 h THR 33 CO -0.83 0.00 -1.94 0.79 0.37 0.00 0.00 175.52 173.92 1bw4 n TRP 34 N -3.51 0.00 0.04 3.16 8.01 0.12 -4.77 117.44 120.48 1bw4 n TRP 34 Ca 0.13 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.13 1bw4 n TRP 34 Cb 0.96 -0.62 -0.14 0.00 -2.01 0.00 0.00 31.31 29.49 1bw4 n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1bw4 h ASP 35 N -0.14 0.42 -1.34 -0.99 5.19 -0.06 -3.33 116.42 116.17 1bw4 h ASP 35 Ca -0.38 -0.96 0.39 0.00 -0.62 0.00 0.00 57.03 55.46 1bw4 h ASP 35 Cb 1.52 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 40.84 1bw4 h ASP 35 CO -0.10 1.35 0.96 0.00 -3.12 0.00 0.00 179.24 178.33 1bw4 h ALA 36 N 0.07 3.27 -0.00 3.45 0.00 -0.59 0.23 119.26 125.69 1bw4 h ALA 36 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1bw4 h ALA 36 Cb 1.57 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1bw4 h ALA 36 CO 0.14 -1.65 -0.04 -1.13 0.00 0.00 0.00 179.25 176.57 1bw4 n SER 37 N -4.13 0.30 -4.73 0.00 3.41 -1.25 -4.78 113.62 102.43 1bw4 n SER 37 Ca 0.29 -0.66 -0.41 0.00 -0.26 0.00 0.00 58.87 57.83 1bw4 n SER 37 Cb 1.39 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 65.20 1bw4 n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bw4 s LYS 38 N -2.33 4.59 -0.05 4.33 1.02 0.82 -4.97 119.74 123.15 1bw4 s LYS 38 Ca 0.35 1.60 -0.36 0.00 0.02 0.00 0.00 55.97 57.58 1bw4 s LYS 38 Cb 0.21 -3.35 -0.14 0.00 -0.52 0.00 0.00 37.83 34.03 1bw4 s LYS 38 CO 0.43 0.04 1.67 -0.35 -0.92 0.00 0.00 175.35 176.22 1bw4 n PRO 39 N 3.00 1.68 0.00 -1.68 -0.04 -1.26 -4.75 135.00 131.95 1bw4 n PRO 39 Ca 0.04 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1bw4 n PRO 39 Cb 0.48 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 1bw4 n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bw4 n LEU 40 N 4.77 0.00 0.00 1.53 4.77 -1.26 -3.16 117.00 123.65 1bw4 n LEU 40 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1bw4 n LEU 40 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1bw4 n LEU 40 CO 0.71 0.00 0.26 -0.24 -1.33 0.00 0.00 177.39 176.79 1bw4 n SER 41 N -2.13 0.00 -0.06 -1.43 2.88 -1.26 -1.11 113.62 110.50 1bw4 n SER 41 Ca 0.00 0.51 -0.09 0.00 -1.33 0.00 0.00 58.87 57.96 1bw4 n SER 41 Cb 0.00 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.42 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1bw4 h TRP 42 N 0.00 -0.86 -0.91 0.66 7.01 -1.90 0.45 115.95 120.39 1bw4 h TRP 42 Ca 0.00 0.05 0.16 0.00 2.11 0.00 0.00 58.89 61.21 1bw4 h TRP 42 Cb 0.00 0.42 -0.16 0.00 -2.10 0.00 0.00 29.16 27.32 1bw4 h TRP 42 CO -0.02 -0.38 -0.30 0.54 -2.79 0.00 0.00 178.44 175.49 1bw4 n ARG 43 N -5.41 -0.15 -0.03 2.65 1.74 -1.15 -1.94 116.66 112.36 1bw4 n ARG 43 Ca -0.01 1.41 -0.12 0.00 -0.77 0.00 0.00 57.85 58.35 1bw4 n ARG 43 Cb 0.33 -2.09 -0.14 0.00 -1.02 0.00 0.00 32.46 29.53 1bw4 n ARG 43 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1bw4 n SER 44 N -5.40 1.11 -0.33 0.55 3.41 -0.27 -4.39 113.62 108.30 1bw4 n SER 44 Ca 0.12 0.28 0.04 0.00 -0.26 0.00 0.00 58.87 59.05 1bw4 n SER 44 Cb 0.40 -0.13 0.11 0.00 -0.26 0.00 0.00 64.21 64.34 1bw4 n SER 44 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1bw4 n LYS 45 N -3.12 -0.10 -3.21 4.33 4.81 0.15 -4.46 118.16 116.57 1bw4 n LYS 45 Ca -0.24 1.39 -0.20 0.00 -0.87 0.00 0.00 58.31 58.38 1bw4 n LYS 45 Cb 1.06 -2.07 0.02 0.00 0.02 0.00 0.00 35.03 34.06 1bw4 n LYS 45 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bw4 n TYR 46 N -5.43 -1.29 -0.01 5.64 4.01 -1.16 -5.08 117.16 113.84 1bw4 n TYR 46 Ca 0.13 -1.92 0.00 0.00 -0.16 0.00 0.00 57.90 55.96 1bw4 n TYR 46 Cb 0.43 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1bw4 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bw4 n GLY 47 N -0.75 0.91 3.54 2.72 0.00 -1.26 -4.94 105.19 105.41 1bw4 n GLY 47 Ca 0.04 -1.41 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 1bw4 n GLY 47 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bw4 s TRP 48 N 0.08 -0.97 -0.35 1.61 -0.11 -1.26 -4.81 118.94 113.13 1bw4 s TRP 48 Ca 0.00 1.72 0.00 0.00 1.22 0.00 0.00 56.10 59.04 1bw4 s TRP 48 Cb 0.00 0.58 0.11 0.00 -1.50 0.00 0.00 33.47 32.66 1bw4 s TRP 48 CO 0.00 -0.48 0.13 0.95 -4.62 0.00 0.00 176.95 172.93 1bw4 s THR 49 N 2.46 1.08 -0.43 5.86 -4.23 -1.08 -2.89 115.64 116.41 1bw4 s THR 49 Ca -0.05 -1.77 -0.29 0.00 -1.18 0.00 0.00 61.69 58.40 1bw4 s THR 49 Cb -0.08 -1.80 0.03 0.00 1.34 0.00 0.00 72.50 71.99 1bw4 s THR 49 CO -0.18 -0.74 1.11 0.00 -0.54 0.00 0.00 174.62 174.27 1bw4 s ALA 50 N 1.22 3.26 0.44 3.99 0.00 -1.24 -1.72 121.76 127.71 1bw4 s ALA 50 Ca 0.12 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 1bw4 s ALA 50 Cb -0.19 -3.82 -0.08 0.00 0.00 0.00 0.00 23.12 19.03 1bw4 s ALA 50 CO -0.17 -2.03 0.87 0.12 0.00 0.00 0.00 175.76 174.56 1bw4 s PHE 51 N 4.20 3.43 0.08 0.00 5.36 0.45 -0.62 117.98 130.88 1bw4 s PHE 51 Ca 0.47 1.30 -0.02 0.00 -0.96 0.00 0.00 56.93 57.72 1bw4 s PHE 51 Cb -0.09 -2.64 0.01 0.00 -0.34 0.00 0.00 43.02 39.96 1bw4 s PHE 51 CO 0.27 -0.19 0.14 0.00 -1.46 0.00 0.00 175.22 173.98 1bw4 n GLY 53 N -0.12 0.66 0.07 0.00 0.00 -1.26 -4.35 105.19 100.20 1bw4 n GLY 53 Ca -0.01 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 43.86 1bw4 n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw4 n PRO 54 N 0.00 0.46 -3.43 1.61 -0.04 -1.26 -4.86 135.00 127.48 1bw4 n PRO 54 Ca 0.00 0.53 -0.35 0.00 -0.04 0.00 0.00 63.50 63.64 1bw4 n PRO 54 Cb 0.00 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 1bw4 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 s ALA 55 N -2.71 3.63 0.00 0.55 0.00 -1.26 -4.50 121.76 117.47 1bw4 s ALA 55 Ca -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1bw4 s ALA 55 Cb 0.02 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1bw4 s ALA 55 CO 0.25 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.91 1bw4 n GLY 56 N 0.87 0.99 3.55 0.00 0.00 -1.26 -4.86 105.19 104.48 1bw4 n GLY 56 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1bw4 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw4 s PRO 57 N 0.02 2.48 -0.33 1.61 0.04 -1.26 -4.86 135.00 132.71 1bw4 s PRO 57 Ca 0.00 0.85 -0.01 0.00 0.04 0.00 0.00 61.00 61.88 1bw4 s PRO 57 Cb 0.00 -4.44 0.13 0.00 0.04 0.00 0.00 34.50 30.23 1bw4 s PRO 57 CO 0.00 -2.88 0.21 0.50 0.04 0.00 0.00 177.00 174.88 1bw4 s ARG 58 N 7.37 0.42 0.00 4.56 6.06 -1.26 -4.99 118.95 131.11 1bw4 s ARG 58 Ca 0.76 -0.89 0.00 0.00 -2.50 0.00 0.00 55.73 53.10 1bw4 s ARG 58 Cb -0.14 -1.11 0.00 0.00 0.06 0.00 0.00 34.95 33.76 1bw4 s ARG 58 CO 0.22 -1.13 0.00 0.41 -2.50 0.00 0.00 175.30 172.30 1bw4 n GLY 59 N 4.59 0.11 0.00 8.12 0.00 -1.26 -4.66 105.19 112.09 1bw4 n GLY 59 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1bw4 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw4 n GLN 60 N -0.55 0.00 -1.70 1.61 6.02 -1.26 -1.40 117.38 120.10 1bw4 n GLN 60 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1bw4 n GLN 60 Cb 0.00 -0.02 -0.04 0.00 1.02 0.00 0.00 30.24 31.20 1bw4 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw4 n ALA 61 N -0.15 6.67 -0.06 -1.58 0.00 -1.26 -4.22 120.51 119.91 1bw4 n ALA 61 Ca 0.00 -3.50 -0.10 0.00 0.00 0.00 0.00 53.44 49.84 1bw4 n ALA 61 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 19.45 16.91 1bw4 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n ALA 62 N 1.46 2.03 -1.17 0.00 0.00 -0.50 -4.85 120.51 117.48 1bw4 n ALA 62 Ca 0.56 -0.46 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 1bw4 n ALA 62 Cb 0.41 0.30 -0.10 0.00 0.00 0.00 0.00 19.45 20.07 1bw4 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n GLY 64 N 5.48 0.08 3.96 0.00 0.00 -1.24 -5.05 105.19 108.42 1bw4 n GLY 64 Ca 0.36 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.17 1bw4 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw4 s LYS 65 N 0.00 2.48 0.33 1.61 1.02 0.03 -4.73 119.74 120.48 1bw4 s LYS 65 Ca 0.00 -1.60 0.08 0.00 0.02 0.00 0.00 55.97 54.48 1bw4 s LYS 65 Cb 0.00 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1bw4 s LYS 65 CO 0.00 -0.49 0.14 0.00 -0.92 0.00 0.00 175.35 174.08 1bw4 s LEU 67 N -3.84 2.51 0.07 0.00 0.20 0.47 -0.38 118.68 117.71 1bw4 s LEU 67 Ca 0.37 -0.94 -0.25 0.00 0.69 0.00 0.00 54.13 54.00 1bw4 s LEU 67 Cb -0.03 -1.37 -0.06 0.00 -0.43 0.00 0.00 46.19 44.30 1bw4 s LEU 67 CO 0.23 -0.12 0.77 -0.60 -0.29 0.00 0.00 176.35 176.33 1bw4 s ARG 68 N 1.30 4.51 -0.10 1.98 3.52 0.07 0.19 118.95 130.42 1bw4 s ARG 68 Ca -0.01 1.08 0.01 0.00 -0.13 0.00 0.00 55.73 56.68 1bw4 s ARG 68 Cb -0.16 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1bw4 s ARG 68 CO -0.09 0.36 -0.13 0.08 -0.81 0.00 0.00 175.30 174.71 1bw4 s VAL 69 N -0.34 1.35 0.01 7.11 1.01 -0.14 -2.05 120.40 127.36 1bw4 s VAL 69 Ca 0.38 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1bw4 s VAL 69 Cb -0.21 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1bw4 s VAL 69 CO 0.24 0.41 -0.14 -0.89 0.00 0.00 0.00 175.10 174.72 1bw4 s THR 70 N 1.04 1.12 -0.83 3.92 2.01 -0.53 -0.74 115.64 121.62 1bw4 s THR 70 Ca -0.06 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 1bw4 s THR 70 Cb -0.15 -0.97 0.21 0.00 0.01 0.00 0.00 72.50 71.61 1bw4 s THR 70 CO -0.02 0.18 0.71 0.21 -0.69 0.00 0.00 174.62 175.02 1bw4 s ASN 71 N -0.68 5.98 0.31 3.53 2.47 0.73 -1.47 114.94 125.81 1bw4 s ASN 71 Ca 0.04 -3.35 0.07 0.00 0.42 0.00 0.00 52.86 50.04 1bw4 s ASN 71 Cb -0.06 -1.96 0.86 0.00 -1.45 0.00 0.00 41.25 38.64 1bw4 s ASN 71 CO 0.00 -0.29 1.66 -0.65 -3.72 0.00 0.00 177.10 174.10 1bw4 h PRO 72 N 6.56 0.28 -1.00 0.43 0.11 -1.86 0.19 132.00 136.71 1bw4 h PRO 72 Ca 0.10 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.38 1bw4 h PRO 72 Cb 0.88 -0.06 -0.10 0.00 0.11 0.00 0.00 31.00 31.83 1bw4 h PRO 72 CO 0.81 0.18 0.61 0.00 -0.21 0.00 0.00 178.00 179.40 1bw4 h ALA 73 N 1.80 1.69 0.00 -0.75 0.00 -1.94 -3.27 119.26 116.80 1bw4 h ALA 73 Ca 0.62 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.56 1bw4 h ALA 73 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1bw4 h ALA 73 CO -0.62 -0.05 -1.26 0.25 0.00 0.00 0.00 179.25 177.57 1bw4 n THR 74 N -4.73 0.18 0.00 0.00 -2.24 0.03 -5.00 114.28 102.51 1bw4 n THR 74 Ca 0.23 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1bw4 n THR 74 Cb 0.56 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1bw4 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw4 n GLY 75 N 2.55 0.35 3.70 3.38 0.00 0.44 -5.05 105.19 110.56 1bw4 n GLY 75 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1bw4 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 76 N -2.00 3.77 -0.08 4.61 0.00 -1.25 -4.75 121.76 122.07 1bw4 s ALA 76 Ca 0.00 1.38 -0.10 0.00 0.00 0.00 0.00 51.96 53.24 1bw4 s ALA 76 Cb 0.00 -3.70 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1bw4 s ALA 76 CO 0.00 -1.04 0.27 1.14 0.00 0.00 0.00 175.76 176.13 1bw4 s GLN 77 N 2.08 0.39 0.16 0.00 -2.07 -1.26 -0.20 119.66 118.77 1bw4 s GLN 77 Ca 0.75 0.22 -0.05 0.00 -1.82 0.00 0.00 55.36 54.47 1bw4 s GLN 77 Cb -0.44 0.18 -0.03 0.00 -1.09 0.00 0.00 33.01 31.63 1bw4 s GLN 77 CO 0.33 -0.07 0.18 -1.50 -1.32 0.00 0.00 175.29 172.91 1bw4 s ILE 78 N -0.23 0.07 -0.30 3.63 2.07 0.08 -5.00 121.20 121.52 1bw4 s ILE 78 Ca -0.04 -1.71 -0.10 0.00 -1.41 0.00 0.00 60.65 57.39 1bw4 s ILE 78 Cb -0.03 -2.06 -0.02 0.00 0.13 0.00 0.00 42.46 40.48 1bw4 s ILE 78 CO 0.01 -0.30 0.17 -0.89 -1.91 0.00 0.00 174.94 172.02 1bw4 s THR 79 N -4.04 4.89 0.30 4.00 2.01 -1.26 -0.96 115.64 120.58 1bw4 s THR 79 Ca 0.24 -0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.12 1bw4 s THR 79 Cb 0.05 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 1bw4 s THR 79 CO 0.03 0.15 0.43 0.00 -0.69 0.00 0.00 174.62 174.54 1bw4 s ALA 80 N 1.68 4.05 -0.42 7.40 0.00 0.13 -4.78 121.76 129.82 1bw4 s ALA 80 Ca 0.06 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1bw4 s ALA 80 Cb -0.16 -1.74 0.11 0.00 0.00 0.00 0.00 23.12 21.32 1bw4 s ALA 80 CO 0.08 0.08 0.19 -0.98 0.00 0.00 0.00 175.76 175.13 1bw4 s ARG 81 N -4.11 1.90 -0.41 0.00 3.03 -1.26 -0.40 118.95 117.71 1bw4 s ARG 81 Ca 0.40 -1.95 -0.28 0.00 2.03 0.00 0.00 55.73 55.93 1bw4 s ARG 81 Cb -0.09 -3.48 -0.07 0.00 -1.03 0.00 0.00 34.95 30.28 1bw4 s ARG 81 CO 0.31 -1.05 2.35 -0.89 -1.13 0.00 0.00 175.30 174.89 1bw4 n ILE 82 N 4.31 0.08 -0.10 4.99 5.41 -0.54 -2.63 119.36 130.87 1bw4 n ILE 82 Ca 0.01 -0.61 -0.20 0.00 1.00 0.00 0.00 62.75 62.95 1bw4 n ILE 82 Cb 0.41 -2.54 -0.08 0.00 -0.71 0.00 0.00 39.64 36.72 1bw4 n ILE 82 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1bw4 n VAL 83 N 7.85 1.12 -4.36 1.39 3.14 -0.70 -3.66 118.33 123.11 1bw4 n VAL 83 Ca 0.36 -0.33 -0.18 0.00 -2.96 0.00 0.00 64.34 61.24 1bw4 n VAL 83 Cb 0.47 -1.61 -0.10 0.00 -1.06 0.00 0.00 33.84 31.54 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bw4 s ASP 84 N -6.56 1.61 -0.10 6.55 2.15 -1.22 -4.32 116.67 114.77 1bw4 s ASP 84 Ca -0.28 -1.36 0.01 0.00 0.43 0.00 0.00 52.55 51.35 1bw4 s ASP 84 Cb 0.10 0.07 0.02 0.00 -0.30 0.00 0.00 42.92 42.81 1bw4 s ASP 84 CO 0.39 -0.67 -0.10 -1.58 -0.17 0.00 0.00 175.17 173.04 1bw4 s GLN 85 N -3.97 1.64 0.18 4.34 0.74 -1.25 0.17 119.66 121.51 1bw4 s GLN 85 Ca 0.36 -0.33 0.07 0.00 0.05 0.00 0.00 55.36 55.50 1bw4 s GLN 85 Cb 0.08 -1.55 -0.04 0.00 1.10 0.00 0.00 33.01 32.60 1bw4 s GLN 85 CO 0.13 -0.15 0.06 0.00 -0.55 0.00 0.00 175.29 174.78 1bw4 n ALA 87 N -0.32 3.99 -0.04 0.00 0.00 -1.26 -4.53 120.51 118.36 1bw4 n ALA 87 Ca -0.09 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.68 1bw4 n ALA 87 Cb 0.55 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw4 n ASN 88 N -0.72 1.23 -0.64 0.00 0.23 -1.26 -5.04 115.26 109.06 1bw4 n ASN 88 Ca 0.33 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 53.10 1bw4 n ASN 88 Cb 1.11 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.81 1bw4 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw4 n GLY 89 N -0.14 0.67 0.00 4.83 0.00 -1.26 -5.07 105.19 104.23 1bw4 n GLY 89 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1bw4 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw4 n GLY 90 N -0.64 -0.37 0.00 -0.02 0.00 -1.26 -4.84 105.19 98.05 1bw4 n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bw4 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw4 n LEU 91 N -2.10 0.00 -3.68 0.99 -0.00 -1.22 -2.02 117.00 108.96 1bw4 n LEU 91 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1bw4 n LEU 91 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1bw4 n LEU 91 CO 0.00 0.00 0.20 1.51 -0.00 0.00 0.00 177.39 179.10 1bw4 s ASP 92 N 0.00 -0.24 -0.81 1.96 1.47 -1.05 -1.34 116.67 116.65 1bw4 s ASP 92 Ca 0.00 -0.39 0.02 0.00 1.18 0.00 0.00 52.55 53.35 1bw4 s ASP 92 Cb 0.00 0.51 0.22 0.00 -0.34 0.00 0.00 42.92 43.32 1bw4 s ASP 92 CO 0.00 -0.93 0.76 -0.11 0.68 0.00 0.00 175.17 175.57 1bw4 n LEU 93 N -0.27 3.99 0.00 2.11 0.00 0.21 -0.51 117.00 122.53 1bw4 n LEU 93 Ca -0.13 -5.23 0.00 0.00 0.00 0.00 0.00 56.01 50.65 1bw4 n LEU 93 Cb 0.63 -0.93 0.00 0.00 0.00 0.00 0.00 43.42 43.12 1bw4 n LEU 93 CO 0.17 1.73 0.00 0.47 0.00 0.00 0.00 177.39 179.76 1bw4 n ASP 94 N 1.81 0.00 0.00 1.96 9.92 -0.40 -3.60 116.55 126.25 1bw4 n ASP 94 Ca 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1bw4 n ASP 94 Cb 0.37 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1bw4 n TRP 95 N -0.44 0.00 0.00 1.24 -0.00 -0.79 -3.75 117.44 113.70 1bw4 n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1bw4 n TRP 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1bw4 n TRP 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1bw4 n ASP 96 N 1.26 1.00 -0.03 5.87 2.03 -1.26 -4.49 116.55 120.93 1bw4 n ASP 96 Ca 0.00 -0.36 -0.02 0.00 0.52 0.00 0.00 54.79 54.94 1bw4 n ASP 96 Cb 0.00 0.91 -0.01 0.00 -0.72 0.00 0.00 41.12 41.31 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bw4 h THR 97 N 0.00 0.00 0.00 5.18 1.35 -1.85 -3.42 112.91 114.17 1bw4 h THR 97 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1bw4 h THR 97 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1bw4 h THR 97 CO 0.00 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.79 1bw4 n VAL 98 N -3.14 0.00 -0.14 6.82 0.31 -1.26 -4.20 118.33 116.72 1bw4 n VAL 98 Ca -0.03 0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 64.48 1bw4 n VAL 98 Cb 0.10 -1.11 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1bw4 h PHE 99 N 0.00 -1.62 0.00 3.52 3.57 -1.92 0.21 116.94 120.71 1bw4 h PHE 99 Ca 0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1bw4 h PHE 99 Cb 0.00 0.76 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1bw4 h PHE 99 CO 0.00 -0.48 0.16 0.25 -2.23 0.00 0.00 178.31 176.01 1bw4 n THR 100 N -5.39 0.82 -0.01 4.41 -2.24 -1.26 -0.15 114.28 110.47 1bw4 n THR 100 Ca -0.03 0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 62.09 1bw4 n THR 100 Cb 0.35 -1.36 -0.01 0.00 -2.10 0.00 0.00 70.33 67.20 1bw4 n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bw4 n LYS 101 N -1.15 0.06 -0.54 -0.78 4.76 -0.22 -4.69 118.16 115.60 1bw4 n LYS 101 Ca 0.00 0.02 -0.05 0.00 -2.87 0.00 0.00 58.31 55.41 1bw4 n LYS 101 Cb 0.16 -0.69 0.14 0.00 -1.84 0.00 0.00 35.03 32.80 1bw4 n LYS 101 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1bw4 n ILE 102 N -3.01 1.78 -2.80 -0.18 -5.35 0.59 -4.90 119.36 105.49 1bw4 n ILE 102 Ca -0.05 -0.84 -0.33 0.00 -0.27 0.00 0.00 62.75 61.26 1bw4 n ILE 102 Cb 0.54 -0.58 -0.07 0.00 -1.74 0.00 0.00 39.64 37.79 1bw4 n ILE 102 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1bw4 s ASP 103 N -0.26 6.93 0.00 7.28 -4.77 0.79 -4.95 116.67 121.70 1bw4 s ASP 103 Ca 0.28 1.69 0.00 0.00 -3.30 0.00 0.00 52.55 51.22 1bw4 s ASP 103 Cb 0.23 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.52 1bw4 s ASP 103 CO 0.07 -0.37 0.00 0.35 0.70 0.00 0.00 175.17 175.92 1bw4 n THR 104 N -0.68 0.00 0.37 2.11 -2.24 -1.26 -4.87 114.28 107.72 1bw4 n THR 104 Ca 0.07 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1bw4 n THR 104 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1bw4 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw4 n ASN 105 N 0.00 3.98 0.00 3.42 0.23 -1.26 -4.58 115.26 117.06 1bw4 n ASN 105 Ca 0.00 -2.18 0.00 0.00 -0.53 0.00 0.00 54.58 51.87 1bw4 n ASN 105 Cb 0.00 -0.76 0.00 0.00 -2.08 0.00 0.00 39.78 36.94 1bw4 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw4 n GLY 106 N 0.91 3.08 0.14 4.83 0.00 -1.26 -4.98 105.19 107.91 1bw4 n GLY 106 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1bw4 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw4 n ILE 107 N -1.66 -0.23 -0.26 -0.61 2.08 -1.26 0.35 119.36 117.78 1bw4 n ILE 107 Ca 0.00 1.28 -0.02 0.00 0.56 0.00 0.00 62.75 64.57 1bw4 n ILE 107 Cb 0.00 -1.62 0.04 0.00 -0.75 0.00 0.00 39.64 37.31 1bw4 n ILE 107 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1bw4 h GLY 108 N 0.00 0.15 1.21 7.39 0.00 -1.91 0.25 103.07 110.16 1bw4 h GLY 108 Ca 0.05 0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.69 1bw4 h GLY 108 CO -0.31 -0.24 0.04 -1.82 0.00 0.00 0.00 176.54 174.21 1bw4 h TYR 109 N -0.08 1.03 0.00 5.60 3.20 -0.43 0.40 116.97 126.69 1bw4 h TYR 109 Ca 0.30 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1bw4 h TYR 109 Cb 0.57 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1bw4 h TYR 109 CO -0.67 0.90 -0.28 1.96 -1.64 0.00 0.00 178.16 178.43 1bw4 h GLN 110 N 0.89 0.00 0.00 1.82 1.08 0.16 -3.33 115.11 115.73 1bw4 h GLN 110 Ca 0.17 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.11 1bw4 h GLN 110 Cb 0.47 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.85 1bw4 h GLN 110 CO 0.02 0.28 -1.97 1.04 -0.95 0.00 0.00 178.83 177.24 1bw4 n GLN 111 N -4.10 0.86 -0.25 1.46 6.02 0.68 -5.01 117.38 117.05 1bw4 n GLN 111 Ca -0.02 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1bw4 n GLN 111 Cb 0.34 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.25 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bw4 n GLY 112 N 2.51 0.87 3.72 1.08 0.00 0.14 -5.03 105.19 108.47 1bw4 n GLY 112 Ca -0.28 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1bw4 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw4 s HIS 113 N -2.01 -0.25 0.32 1.61 0.00 -1.22 -2.53 115.29 111.20 1bw4 s HIS 113 Ca 0.00 -0.09 -0.16 0.00 -3.00 0.00 0.00 55.06 51.81 1bw4 s HIS 113 Cb 0.00 0.65 0.03 0.00 -4.00 0.00 0.00 32.58 29.25 1bw4 s HIS 113 CO 0.00 -0.99 0.67 -1.17 -1.00 0.00 0.00 174.74 172.25 1bw4 s LEU 114 N -2.86 0.08 -0.26 5.38 2.96 0.93 -4.43 118.68 120.49 1bw4 s LEU 114 Ca 0.09 -0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 53.02 1bw4 s LEU 114 Cb -0.03 2.45 0.01 0.00 0.50 0.00 0.00 46.19 49.12 1bw4 s LEU 114 CO 0.01 -1.42 -0.01 0.21 -1.32 0.00 0.00 176.35 173.81 1bw4 s ASN 115 N -3.02 4.56 0.35 3.68 3.04 -1.26 0.59 114.94 122.88 1bw4 s ASN 115 Ca 0.17 -0.71 0.04 0.00 0.04 0.00 0.00 52.86 52.39 1bw4 s ASN 115 Cb -0.04 -1.75 -0.03 0.00 -1.54 0.00 0.00 41.25 37.89 1bw4 s ASN 115 CO 0.10 -0.12 0.15 0.68 -3.04 0.00 0.00 177.10 174.87 1bw4 s VAL 116 N 1.41 0.51 -0.07 -5.21 -7.23 -0.84 -4.46 120.40 104.51 1bw4 s VAL 116 Ca 0.02 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1bw4 s VAL 116 Cb -0.16 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.33 1bw4 s VAL 116 CO -0.02 0.00 -0.12 0.20 -0.31 0.00 0.00 175.10 174.85 1bw4 s ASN 117 N -3.49 1.82 -0.02 4.85 0.01 -0.54 -1.38 114.94 116.19 1bw4 s ASN 117 Ca 0.31 -0.30 0.02 0.00 -0.71 0.00 0.00 52.86 52.18 1bw4 s ASN 117 Cb 0.04 -0.83 0.00 0.00 0.41 0.00 0.00 41.25 40.87 1bw4 s ASN 117 CO 0.17 0.02 -0.06 -0.72 -1.51 0.00 0.00 177.10 174.99 1bw4 s TYR 118 N 0.75 0.66 -0.02 2.20 -0.85 -1.09 -1.46 117.35 117.54 1bw4 s TYR 118 Ca -0.13 -0.14 0.04 0.00 -0.52 0.00 0.00 57.07 56.32 1bw4 s TYR 118 Cb -0.16 -0.48 -0.01 0.00 0.38 0.00 0.00 41.96 41.70 1bw4 s TYR 118 CO 0.03 -0.06 -0.15 -0.65 -1.52 0.00 0.00 175.55 173.20 1bw4 s GLN 119 N 0.12 1.32 0.11 -3.49 1.11 -0.87 -2.70 119.66 115.26 1bw4 s GLN 119 Ca -0.01 -0.52 -0.31 0.00 0.01 0.00 0.00 55.36 54.53 1bw4 s GLN 119 Cb -0.06 -1.23 -0.08 0.00 -1.01 0.00 0.00 33.01 30.63 1bw4 s GLN 119 CO -0.00 0.27 1.37 -0.06 0.01 0.00 0.00 175.29 176.88 1bw4 s PHE 120 N -0.18 3.26 -0.02 0.91 0.40 -1.00 -0.75 117.98 120.60 1bw4 s PHE 120 Ca 0.02 0.98 0.05 0.00 -0.60 0.00 0.00 56.93 57.38 1bw4 s PHE 120 Cb -0.08 -3.66 -0.01 0.00 0.51 0.00 0.00 43.02 39.79 1bw4 s PHE 120 CO 0.00 -2.27 -0.16 0.08 0.70 0.00 0.00 175.22 173.57 1bw4 s VAL 121 N 1.13 1.29 -0.12 -0.44 1.01 0.48 -4.86 120.40 118.90 1bw4 s VAL 121 Ca 0.64 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 1bw4 s VAL 121 Cb -0.36 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1bw4 s VAL 121 CO 0.30 0.37 0.57 -0.62 0.00 0.00 0.00 175.10 175.72 1bw4 s ASP 122 N -0.21 6.77 0.04 3.32 -1.08 -1.26 -0.05 116.67 124.20 1bw4 s ASP 122 Ca 0.02 0.92 0.25 0.00 -0.52 0.00 0.00 52.55 53.22 1bw4 s ASP 122 Cb -0.08 -2.33 0.41 0.00 -1.46 0.00 0.00 42.92 39.46 1bw4 s ASP 122 CO 0.00 -0.08 1.35 0.00 0.52 0.00 0.00 175.17 176.96 1bw4 n ARG 124 N -1.72 -0.83 0.00 0.00 0.63 -1.26 -5.11 116.66 108.37 1bw4 n ARG 124 Ca 0.04 0.46 0.13 0.00 -0.92 0.00 0.00 57.85 57.56 1bw4 n ARG 124 Cb 0.38 -1.09 0.75 0.00 0.45 0.00 0.00 32.46 32.95 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65