#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 0.04 -0.10 5.31 -0.44 -1.26 -1.27 119.66 121.94 1bw4 s GLN 2 Ca 0.00 0.25 0.03 0.00 -2.50 0.00 0.00 55.36 53.13 1bw4 s GLN 2 Cb 0.00 -0.44 0.01 0.00 -1.64 0.00 0.00 33.01 30.94 1bw4 s GLN 2 CO 0.00 -0.24 -0.18 0.00 0.50 0.00 0.00 175.29 175.37 1bw4 s ALA 3 N 1.59 1.78 0.46 1.58 0.00 -1.11 -5.05 121.76 121.02 1bw4 s ALA 3 Ca -0.02 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1bw4 s ALA 3 Cb -0.13 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1bw4 s ALA 3 CO -0.03 0.08 0.09 -0.80 0.00 0.00 0.00 175.76 175.10 1bw4 s ASN 4 N 0.70 4.18 -0.62 0.00 0.01 -1.26 -2.20 114.94 115.76 1bw4 s ASN 4 Ca -0.12 -1.40 -0.17 0.00 -0.71 0.00 0.00 52.86 50.47 1bw4 s ASN 4 Cb -0.16 0.02 0.02 0.00 0.41 0.00 0.00 41.25 41.54 1bw4 s ASN 4 CO 0.03 -0.70 0.31 -0.67 -1.51 0.00 0.00 177.10 174.56 1bw4 n ASP 5 N -1.23 -1.86 -4.48 -1.22 2.03 -1.25 -4.86 116.55 103.68 1bw4 n ASP 5 Ca -0.09 -0.65 -0.36 0.00 0.52 0.00 0.00 54.79 54.20 1bw4 n ASP 5 Cb 0.66 -0.79 -0.12 0.00 -0.72 0.00 0.00 41.12 40.15 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 -4.23 4.45 -0.99 5.18 1.01 -0.78 -4.91 120.40 120.13 1bw4 s VAL 6 Ca 0.23 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.83 1bw4 s VAL 6 Cb -0.13 -3.07 -0.15 0.00 0.00 0.00 0.00 36.38 33.03 1bw4 s VAL 6 CO 0.49 0.35 2.15 -0.13 0.00 0.00 0.00 175.10 177.95 1bw4 s ARG 7 N 1.46 1.73 0.09 2.72 0.52 -1.26 -0.97 118.95 123.25 1bw4 s ARG 7 Ca 0.06 -0.26 -0.26 0.00 -0.52 0.00 0.00 55.73 54.75 1bw4 s ARG 7 Cb -0.15 -4.98 -0.06 0.00 0.52 0.00 0.00 34.95 30.28 1bw4 s ARG 7 CO 0.04 -4.62 0.79 0.00 0.02 0.00 0.00 175.30 171.53 1bw4 s ALA 8 N 14.32 3.39 0.69 2.13 0.00 0.38 -4.84 121.76 137.82 1bw4 s ALA 8 Ca 0.81 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 1bw4 s ALA 8 Cb -0.07 -3.01 0.06 0.00 0.00 0.00 0.00 23.12 20.10 1bw4 s ALA 8 CO 0.11 0.14 0.99 0.95 0.00 0.00 0.00 175.76 177.95 1bw4 s THR 9 N -0.44 2.31 -0.45 0.00 -4.23 -1.26 -0.22 115.64 111.34 1bw4 s THR 9 Ca 0.38 -0.32 0.09 0.00 -1.18 0.00 0.00 61.69 60.67 1bw4 s THR 9 Cb -0.22 -2.99 0.38 0.00 1.34 0.00 0.00 72.50 71.01 1bw4 s THR 9 CO 0.25 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 175.24 1bw4 n TYR 10 N -2.87 2.35 -3.07 3.99 4.11 -1.25 -4.83 117.16 115.59 1bw4 n TYR 10 Ca 0.08 -3.61 -0.45 0.00 -0.00 0.00 0.00 57.90 53.93 1bw4 n TYR 10 Cb 0.60 -0.38 -0.04 0.00 -0.00 0.00 0.00 39.34 39.53 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 -3.12 3.05 -1.23 -3.48 2.46 0.38 -4.91 115.29 108.44 1bw4 s HIS 11 Ca 0.43 -1.08 -0.14 0.00 0.47 0.00 0.00 55.06 54.74 1bw4 s HIS 11 Cb 0.35 -4.08 0.16 0.00 -0.13 0.00 0.00 32.58 28.88 1bw4 s HIS 11 CO -0.10 -1.35 1.49 2.48 -2.47 0.00 0.00 174.74 174.78 1bw4 n TYR 12 N 6.33 4.90 -2.44 3.88 0.18 -1.26 -2.95 117.16 125.79 1bw4 n TYR 12 Ca -0.01 -3.29 -0.33 0.00 1.88 0.00 0.00 57.90 56.15 1bw4 n TYR 12 Cb 0.44 -2.24 -0.03 0.00 -0.38 0.00 0.00 39.34 37.13 1bw4 n TYR 12 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1bw4 s TYR 13 N 1.87 3.06 0.00 -3.48 5.04 0.02 -4.25 117.35 119.60 1bw4 s TYR 13 Ca 0.44 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.63 1bw4 s TYR 13 Cb -0.02 -3.01 0.00 0.00 0.35 0.00 0.00 41.96 39.28 1bw4 s TYR 13 CO 0.01 -0.79 0.00 0.54 -1.34 0.00 0.00 175.55 173.97 1bw4 n ARG 14 N -1.23 0.00 0.05 4.97 5.12 -1.26 0.13 116.66 124.45 1bw4 n ARG 14 Ca 0.09 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.94 1bw4 n ARG 14 Cb 0.53 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.92 1bw4 n ARG 14 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1bw4 h PRO 15 N 0.00 0.36 -0.39 5.56 0.13 -1.70 -3.21 132.00 132.76 1bw4 h PRO 15 Ca 0.00 -0.24 0.05 0.00 -0.87 0.00 0.00 66.00 64.93 1bw4 h PRO 15 Cb 0.00 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.08 1bw4 h PRO 15 CO 0.00 0.85 -0.55 0.00 -0.23 0.00 0.00 178.00 178.07 1bw4 h ALA 16 N 1.10 -0.78 -1.09 -0.56 0.00 -1.92 0.23 119.26 116.24 1bw4 h ALA 16 Ca -0.00 -0.00 0.39 0.00 0.00 0.00 0.00 54.91 55.29 1bw4 h ALA 16 Cb 1.11 1.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.89 1bw4 h ALA 16 CO 0.10 -1.04 0.68 1.04 0.00 0.00 0.00 179.25 180.03 1bw4 n GLN 17 N -5.32 -0.03 -0.45 0.00 6.02 -1.21 0.78 117.38 117.17 1bw4 n GLN 17 Ca -0.04 1.08 0.05 0.00 -0.01 0.00 0.00 57.00 58.09 1bw4 n GLN 17 Cb 0.34 -2.08 0.20 0.00 1.02 0.00 0.00 30.24 29.72 1bw4 n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1bw4 n ASN 18 N -4.49 2.82 -3.54 1.08 4.05 -0.15 -4.95 115.26 110.08 1bw4 n ASN 18 Ca 0.33 -3.34 -0.25 0.00 0.45 0.00 0.00 54.58 51.78 1bw4 n ASN 18 Cb 1.27 -0.53 -0.02 0.00 1.23 0.00 0.00 39.78 41.72 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bw4 n ASN 19 N -1.01 -2.95 -0.87 1.20 2.85 0.23 0.15 115.26 114.86 1bw4 n ASN 19 Ca 0.22 -0.48 -0.08 0.00 -0.11 0.00 0.00 54.58 54.14 1bw4 n ASN 19 Cb 0.83 -2.48 -0.03 0.00 1.24 0.00 0.00 39.78 39.34 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 -3.80 -0.27 -0.41 1.20 7.02 0.63 -4.76 117.44 117.05 1bw4 n TRP 20 Ca 0.02 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.48 1bw4 n TRP 20 Cb 0.51 -2.06 0.00 0.00 -2.42 0.00 0.00 31.31 27.34 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 -0.00 5.24 0.20 -0.99 2.03 0.12 -4.68 116.55 118.47 1bw4 n ASP 21 Ca -0.08 -2.44 0.00 0.00 0.52 0.00 0.00 54.79 52.79 1bw4 n ASP 21 Cb 0.36 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 1bw4 n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bw4 n LEU 22 N 1.28 0.00 0.05 -2.67 4.77 -1.26 -0.27 117.00 118.90 1bw4 n LEU 22 Ca 0.03 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1bw4 n LEU 22 Cb 0.51 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.91 1bw4 n LEU 22 CO 0.04 -0.30 0.88 1.23 -1.33 0.00 0.00 177.39 177.91 1bw4 h GLY 23 N 0.00 0.44 -6.00 -0.72 0.00 -1.83 -2.50 103.07 92.45 1bw4 h GLY 23 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 47.33 46.63 1bw4 h GLY 23 CO 0.00 0.26 1.53 0.00 0.00 0.00 0.00 176.54 178.33 1bw4 n ALA 24 N -2.48 0.31 -0.12 3.60 0.00 0.63 -4.54 120.51 117.91 1bw4 n ALA 24 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.13 1bw4 n ALA 24 Cb 0.29 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 1bw4 n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bw4 n PRO 25 N 7.06 -0.12 -0.31 0.00 -0.01 -1.26 -1.08 135.00 139.27 1bw4 n PRO 25 Ca 0.57 0.44 0.26 0.00 -0.01 0.00 0.00 63.50 64.76 1bw4 n PRO 25 Cb 0.03 -0.65 0.43 0.00 -0.01 0.00 0.00 33.50 33.30 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw4 n ALA 26 N -3.66 0.89 -0.00 3.55 0.00 -1.26 -3.05 120.51 116.98 1bw4 n ALA 26 Ca 0.01 0.51 -0.00 0.00 0.00 0.00 0.00 53.44 53.96 1bw4 n ALA 26 Cb 0.07 -0.66 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -3.79 0.06 -4.21 0.00 0.31 -0.24 -5.04 118.33 105.43 1bw4 n VAL 27 Ca 0.25 0.48 -0.37 0.00 -0.01 0.00 0.00 64.34 64.70 1bw4 n VAL 27 Cb 1.01 -1.54 -0.05 0.00 -0.91 0.00 0.00 33.84 32.35 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 -2.54 -1.03 -4.50 4.52 3.41 -0.94 -4.96 113.62 107.57 1bw4 n SER 28 Ca -0.01 -1.28 -0.31 0.00 -0.26 0.00 0.00 58.87 57.02 1bw4 n SER 28 Cb 0.02 -1.70 0.19 0.00 -0.26 0.00 0.00 64.21 62.46 1bw4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw4 n ALA 29 N -4.76 -2.33 -0.20 7.33 0.00 -1.26 -4.81 120.51 114.48 1bw4 n ALA 29 Ca -0.25 -0.86 -0.05 0.00 0.00 0.00 0.00 53.44 52.28 1bw4 n ALA 29 Cb 0.65 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 1bw4 n ALA 29 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1bw4 n TYR 30 N -4.36 -0.21 0.60 0.00 4.19 -1.26 -1.11 117.16 115.01 1bw4 n TYR 30 Ca 0.06 0.60 0.12 0.00 3.31 0.00 0.00 57.90 61.99 1bw4 n TYR 30 Cb 0.54 -0.49 0.11 0.00 0.49 0.00 0.00 39.34 40.00 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 -1.80 -0.20 -0.33 0.00 0.00 -0.27 0.47 120.51 118.38 1bw4 n ALA 32 Ca 0.03 0.27 0.27 0.00 0.00 0.00 0.00 53.44 54.01 1bw4 n ALA 32 Cb 0.43 0.01 0.51 0.00 0.00 0.00 0.00 19.45 20.40 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 0.06 0.00 0.00 2.02 -1.79 0.32 112.91 113.51 1bw4 h THR 33 Ca 0.05 -0.02 -0.38 0.00 0.77 0.00 0.00 66.41 66.83 1bw4 h THR 33 Cb 0.13 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.47 1bw4 h THR 33 CO -0.30 0.01 -2.44 0.79 0.37 0.00 0.00 175.52 173.95 1bw4 n TRP 34 N -5.27 0.01 -0.07 3.16 8.01 0.18 -4.45 117.44 119.00 1bw4 n TRP 34 Ca 0.34 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.39 1bw4 n TRP 34 Cb 1.13 -1.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.31 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 0.00 0.00 -1.52 -0.99 5.19 0.07 -3.30 116.42 115.87 1bw4 h ASP 35 Ca -0.57 -0.85 0.44 0.00 -0.62 0.00 0.00 57.03 55.43 1bw4 h ASP 35 Cb 2.02 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.47 1bw4 h ASP 35 CO -0.05 1.05 1.14 0.00 -3.12 0.00 0.00 179.24 178.26 1bw4 h ALA 36 N -0.15 3.43 -0.92 3.45 0.00 -0.56 0.19 119.26 124.70 1bw4 h ALA 36 Ca -0.06 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 54.99 1bw4 h ALA 36 Cb 0.98 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1bw4 h ALA 36 CO -0.03 -1.92 0.60 0.66 0.00 0.00 0.00 179.25 178.55 1bw4 h SER 37 N 0.00 0.50 -4.31 0.00 4.64 -1.70 -3.43 113.55 109.25 1bw4 h SER 37 Ca 0.72 0.05 -0.51 0.00 -0.47 0.00 0.00 61.79 61.58 1bw4 h SER 37 Cb 3.00 -0.04 0.11 0.00 -0.31 0.00 0.00 62.40 65.16 1bw4 h SER 37 CO -0.01 0.20 0.35 -0.54 -0.87 0.00 0.00 176.83 175.96 1bw4 s LYS 38 N -5.53 2.62 0.43 4.77 1.02 0.67 -4.99 119.74 118.72 1bw4 s LYS 38 Ca -0.09 1.09 -0.22 0.00 0.02 0.00 0.00 55.97 56.77 1bw4 s LYS 38 Cb 0.23 -1.94 -0.12 0.00 -0.52 0.00 0.00 37.83 35.47 1bw4 s LYS 38 CO 0.79 -1.36 0.58 -0.35 -0.92 0.00 0.00 175.35 174.09 1bw4 n PRO 39 N -3.25 0.62 -0.86 -1.68 -0.04 -1.26 -4.80 135.00 123.73 1bw4 n PRO 39 Ca 0.08 0.23 -0.16 0.00 -0.04 0.00 0.00 63.50 63.61 1bw4 n PRO 39 Cb 0.53 -1.55 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1bw4 n PRO 39 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1bw4 n LEU 40 N 1.19 6.31 -0.07 1.53 -0.00 -1.26 -3.80 117.00 120.90 1bw4 n LEU 40 Ca 0.11 -3.22 -0.22 0.00 -0.00 0.00 0.00 56.01 52.69 1bw4 n LEU 40 Cb 0.40 -1.03 -0.12 0.00 -0.00 0.00 0.00 43.42 42.67 1bw4 n LEU 40 CO 0.55 1.19 -0.62 -1.54 -0.00 0.00 0.00 177.39 176.96 1bw4 n SER 41 N 0.33 1.95 0.24 1.45 3.41 -1.26 -1.56 113.62 118.18 1bw4 n SER 41 Ca 0.29 0.36 0.17 0.00 -0.26 0.00 0.00 58.87 59.42 1bw4 n SER 41 Cb 0.61 -0.94 0.76 0.00 -0.26 0.00 0.00 64.21 64.39 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1bw4 h TRP 42 N -0.66 0.00 0.00 7.33 -0.00 -1.97 -2.58 115.95 118.07 1bw4 h TRP 42 Ca -0.38 0.00 -0.25 0.00 -0.00 0.00 0.00 58.89 58.26 1bw4 h TRP 42 Cb 1.54 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 30.66 1bw4 h TRP 42 CO 0.09 0.00 -1.59 0.07 -0.00 0.00 0.00 178.44 177.00 1bw4 h ARG 43 N 0.00 0.00 -0.01 2.65 -0.00 -1.80 -2.49 114.38 112.73 1bw4 h ARG 43 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1bw4 h ARG 43 Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.25 1bw4 h ARG 43 CO 0.00 0.43 0.01 0.66 -0.00 0.00 0.00 179.97 181.07 1bw4 h SER 44 N 0.00 0.00 0.22 0.08 4.64 -0.86 -2.99 113.55 114.64 1bw4 h SER 44 Ca -0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1bw4 h SER 44 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1bw4 h SER 44 CO 0.07 0.00 -0.11 0.50 -0.87 0.00 0.00 176.83 176.42 1bw4 h LYS 45 N 0.00 -0.29 0.00 4.77 3.11 -1.57 -3.48 116.57 119.11 1bw4 h LYS 45 Ca 0.00 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1bw4 h LYS 45 Cb 0.03 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.32 1bw4 h LYS 45 CO -0.00 -0.19 0.00 0.66 -2.81 0.00 0.00 179.45 177.11 1bw4 n TYR 46 N -4.11 -3.23 -0.28 1.91 4.01 -0.94 -5.13 117.16 109.39 1bw4 n TYR 46 Ca -0.04 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1bw4 n TYR 46 Cb 0.12 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 5.00 2.01 0.00 2.72 0.00 -1.26 -4.71 105.19 108.95 1bw4 n GLY 47 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1bw4 n GLY 47 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bw4 n TRP 48 N 0.00 0.00 -2.73 1.61 4.27 -1.25 -4.76 117.44 114.58 1bw4 n TRP 48 Ca 0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 1bw4 n TRP 48 Cb 0.00 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 29.90 1bw4 n TRP 48 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1bw4 s THR 49 N 0.00 4.46 0.88 -1.67 -4.23 0.53 -4.61 115.64 110.99 1bw4 s THR 49 Ca 0.00 2.07 -0.14 0.00 -1.18 0.00 0.00 61.69 62.45 1bw4 s THR 49 Cb 0.00 -4.32 0.13 0.00 1.34 0.00 0.00 72.50 69.65 1bw4 s THR 49 CO 0.00 0.33 1.24 0.00 -0.54 0.00 0.00 174.62 175.65 1bw4 s ALA 50 N -0.11 2.43 -0.07 3.99 0.00 -1.25 -0.58 121.76 126.18 1bw4 s ALA 50 Ca 0.46 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 1bw4 s ALA 50 Cb -0.24 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1bw4 s ALA 50 CO 0.30 -2.03 0.31 0.12 0.00 0.00 0.00 175.76 174.46 1bw4 s PHE 51 N -3.69 -0.25 -0.50 0.00 5.36 0.48 -2.39 117.98 116.99 1bw4 s PHE 51 Ca 0.67 0.54 0.06 0.00 -0.96 0.00 0.00 56.93 57.25 1bw4 s PHE 51 Cb -0.08 0.10 0.22 0.00 -0.34 0.00 0.00 43.02 42.92 1bw4 s PHE 51 CO 0.51 -0.28 0.82 0.00 -1.46 0.00 0.00 175.22 174.81 1bw4 s GLY 53 N -0.57 1.66 0.23 0.00 0.00 -1.26 -3.60 107.32 103.78 1bw4 s GLY 53 Ca 0.31 -1.65 -0.08 0.00 0.00 0.00 0.00 44.72 43.30 1bw4 s GLY 53 CO -0.16 -1.70 1.90 -0.56 0.00 0.00 0.00 173.10 172.58 1bw4 h PRO 54 N 1.80 1.19 -5.04 2.90 0.13 -1.99 -3.39 132.00 127.60 1bw4 h PRO 54 Ca -0.45 -0.09 -0.51 0.00 -0.87 0.00 0.00 66.00 64.09 1bw4 h PRO 54 Cb 1.25 -0.26 -0.31 0.00 0.13 0.00 0.00 31.00 31.81 1bw4 h PRO 54 CO 0.61 0.80 -0.82 0.00 -0.23 0.00 0.00 178.00 178.36 1bw4 s ALA 55 N -6.07 1.27 0.00 -0.56 0.00 -1.26 -4.99 121.76 110.15 1bw4 s ALA 55 Ca -0.13 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1bw4 s ALA 55 Cb 0.17 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1bw4 s ALA 55 CO 0.81 0.23 0.00 0.41 0.00 0.00 0.00 175.76 177.20 1bw4 n GLY 56 N 3.19 0.55 3.54 0.00 0.00 -1.26 -4.87 105.19 106.34 1bw4 n GLY 56 Ca -0.18 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 3.19 -0.35 1.61 0.04 -1.26 -4.84 135.00 133.38 1bw4 s PRO 57 Ca 0.00 -0.30 0.01 0.00 0.04 0.00 0.00 61.00 60.75 1bw4 s PRO 57 Cb 0.00 -4.20 0.14 0.00 0.04 0.00 0.00 34.50 30.48 1bw4 s PRO 57 CO 0.00 -2.13 0.26 0.50 0.04 0.00 0.00 177.00 175.67 1bw4 s ARG 58 N 5.60 0.55 0.00 4.56 6.06 -1.26 -5.00 118.95 129.46 1bw4 s ARG 58 Ca 0.34 -1.13 0.00 0.00 -2.50 0.00 0.00 55.73 52.44 1bw4 s ARG 58 Cb -0.09 -1.10 0.00 0.00 0.06 0.00 0.00 34.95 33.82 1bw4 s ARG 58 CO 0.14 -1.19 0.00 0.41 -2.50 0.00 0.00 175.30 172.16 1bw4 n GLY 59 N 4.18 0.43 0.03 8.12 0.00 -1.26 -4.61 105.19 112.07 1bw4 n GLY 59 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 -0.03 -1.15 1.61 6.02 -1.26 -1.25 117.38 121.33 1bw4 n GLN 60 Ca 0.00 0.72 -0.21 0.00 -0.01 0.00 0.00 57.00 57.50 1bw4 n GLN 60 Cb 0.00 -1.07 -0.00 0.00 1.02 0.00 0.00 30.24 30.18 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 -2.76 5.72 -0.11 -1.58 0.00 -1.26 -4.28 120.51 116.24 1bw4 n ALA 61 Ca 0.00 -2.27 -0.21 0.00 0.00 0.00 0.00 53.44 50.97 1bw4 n ALA 61 Cb 0.02 -1.71 -0.08 0.00 0.00 0.00 0.00 19.45 17.67 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 0.57 1.59 -1.40 0.00 0.00 -0.38 -4.88 120.51 116.02 1bw4 n ALA 62 Ca 0.39 -0.87 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 1bw4 n ALA 62 Cb 0.58 0.17 -0.18 0.00 0.00 0.00 0.00 19.45 20.02 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 5.56 1.22 3.88 0.00 0.00 -0.93 -5.01 105.19 109.91 1bw4 n GLY 64 Ca 0.62 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.35 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 3.73 0.06 1.61 3.01 0.67 -4.27 119.74 124.55 1bw4 s LYS 65 Ca 0.00 0.34 0.08 0.00 -1.01 0.00 0.00 55.97 55.37 1bw4 s LYS 65 Cb 0.00 -2.46 -0.03 0.00 -1.01 0.00 0.00 37.83 34.33 1bw4 s LYS 65 CO 0.00 0.03 -0.21 0.00 0.51 0.00 0.00 175.35 175.68 1bw4 s LEU 67 N -1.41 4.09 -0.16 0.00 1.43 0.24 0.07 118.68 122.93 1bw4 s LEU 67 Ca 0.07 0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.11 1bw4 s LEU 67 Cb -0.09 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 1bw4 s LEU 67 CO 0.03 -0.03 0.78 -0.60 0.23 0.00 0.00 176.35 176.76 1bw4 s ARG 68 N 1.44 4.30 -0.03 1.70 3.52 0.36 -0.20 118.95 130.03 1bw4 s ARG 68 Ca 0.11 0.93 0.07 0.00 -0.13 0.00 0.00 55.73 56.71 1bw4 s ARG 68 Cb -0.15 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 1bw4 s ARG 68 CO 0.08 -0.26 -0.24 0.08 -0.81 0.00 0.00 175.30 174.14 1bw4 s VAL 69 N 1.93 1.94 0.02 7.11 1.01 -0.10 -1.41 120.40 130.89 1bw4 s VAL 69 Ca 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1bw4 s VAL 69 Cb -0.17 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1bw4 s VAL 69 CO 0.13 0.55 -0.03 -0.89 0.00 0.00 0.00 175.10 174.86 1bw4 s THR 70 N -0.42 0.15 -0.78 3.92 2.01 -0.69 -0.82 115.64 119.00 1bw4 s THR 70 Ca 0.05 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1bw4 s THR 70 Cb -0.11 -0.23 0.21 0.00 0.01 0.00 0.00 72.50 72.38 1bw4 s THR 70 CO 0.01 -0.30 0.69 -3.20 -0.69 0.00 0.00 174.62 171.12 1bw4 n ASN 71 N 2.10 3.73 -0.32 3.53 5.15 0.29 -1.09 115.26 128.66 1bw4 n ASN 71 Ca -0.20 -3.24 -0.00 0.00 -0.60 0.00 0.00 54.58 50.54 1bw4 n ASN 71 Cb 0.57 -0.87 0.04 0.00 -0.53 0.00 0.00 39.78 38.99 1bw4 n ASN 71 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1bw4 n PRO 72 N 1.85 -0.18 -0.37 1.20 -0.02 -1.26 -0.53 135.00 135.69 1bw4 n PRO 72 Ca 0.23 1.29 0.29 0.00 -2.02 0.00 0.00 63.50 63.29 1bw4 n PRO 72 Cb 0.37 -1.92 0.55 0.00 -0.02 0.00 0.00 33.50 32.48 1bw4 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 h ALA 73 N 1.22 2.27 0.00 3.55 0.00 -1.95 -3.09 119.26 121.25 1bw4 h ALA 73 Ca 0.30 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 55.22 1bw4 h ALA 73 Cb 0.51 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1bw4 h ALA 73 CO -0.84 -0.89 -1.60 0.25 0.00 0.00 0.00 179.25 176.17 1bw4 n THR 74 N -4.93 0.61 0.00 0.00 -2.24 0.29 -5.06 114.28 102.95 1bw4 n THR 74 Ca 0.34 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1bw4 n THR 74 Cb 1.16 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 2.97 1.40 3.80 3.38 0.00 0.31 -5.09 105.19 111.96 1bw4 n GLY 75 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.10 2.42 -0.05 4.61 0.00 -1.26 -4.72 121.76 120.66 1bw4 s ALA 76 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.88 1bw4 s ALA 76 Cb 0.00 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.96 1bw4 s ALA 76 CO 0.00 -1.53 0.39 1.14 0.00 0.00 0.00 175.76 175.75 1bw4 s GLN 77 N -5.01 0.69 0.29 0.00 1.03 -1.26 -0.54 119.66 114.85 1bw4 s GLN 77 Ca 0.60 0.04 -0.05 0.00 0.04 0.00 0.00 55.36 55.99 1bw4 s GLN 77 Cb -0.15 0.31 -0.01 0.00 0.03 0.00 0.00 33.01 33.19 1bw4 s GLN 77 CO 0.55 -0.18 0.40 -1.50 -2.54 0.00 0.00 175.29 172.03 1bw4 s ILE 78 N -0.98 0.00 -0.29 3.63 1.10 0.00 -4.89 121.20 119.77 1bw4 s ILE 78 Ca -0.10 -1.64 0.03 0.00 -0.51 0.00 0.00 60.65 58.43 1bw4 s ILE 78 Cb -0.04 -2.49 0.08 0.00 0.15 0.00 0.00 42.46 40.16 1bw4 s ILE 78 CO 0.04 0.00 -0.02 -0.89 -2.11 0.00 0.00 174.94 171.97 1bw4 s THR 79 N -3.54 2.00 0.02 4.00 2.01 -1.26 -0.93 115.64 117.94 1bw4 s THR 79 Ca 0.30 -1.85 -0.10 0.00 0.31 0.00 0.00 61.69 60.36 1bw4 s THR 79 Cb 0.01 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 1bw4 s THR 79 CO 0.16 -0.33 0.33 0.00 -0.69 0.00 0.00 174.62 174.09 1bw4 s ALA 80 N 1.11 3.77 -0.88 7.40 0.00 0.72 -4.71 121.76 129.17 1bw4 s ALA 80 Ca 0.01 -0.43 -0.20 0.00 0.00 0.00 0.00 51.96 51.34 1bw4 s ALA 80 Cb -0.19 -2.20 0.10 0.00 0.00 0.00 0.00 23.12 20.83 1bw4 s ALA 80 CO -0.08 0.58 1.14 1.03 0.00 0.00 0.00 175.76 178.43 1bw4 s ARG 81 N -1.57 3.47 -0.45 0.00 1.81 -1.26 0.79 118.95 121.74 1bw4 s ARG 81 Ca 0.27 -1.41 -0.27 0.00 -1.72 0.00 0.00 55.73 52.60 1bw4 s ARG 81 Cb -0.14 -4.81 -0.07 0.00 -0.45 0.00 0.00 34.95 29.47 1bw4 s ARG 81 CO 0.15 -1.86 2.39 -0.89 -0.68 0.00 0.00 175.30 174.40 1bw4 n ILE 82 N 5.84 0.01 0.02 1.52 5.41 0.25 0.20 119.36 132.61 1bw4 n ILE 82 Ca 0.18 -0.70 -0.02 0.00 1.00 0.00 0.00 62.75 63.22 1bw4 n ILE 82 Cb 0.49 -2.66 -0.01 0.00 -0.71 0.00 0.00 39.64 36.74 1bw4 n ILE 82 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1bw4 n VAL 83 N 7.93 1.19 -3.29 1.39 0.31 0.25 -2.19 118.33 123.92 1bw4 n VAL 83 Ca 0.37 0.33 -0.20 0.00 -0.01 0.00 0.00 64.34 64.83 1bw4 n VAL 83 Cb 0.50 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1bw4 n VAL 83 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bw4 s ASP 84 N -5.88 5.25 0.07 4.52 2.15 -1.15 -3.45 116.67 118.18 1bw4 s ASP 84 Ca -0.06 -0.69 0.06 0.00 0.43 0.00 0.00 52.55 52.29 1bw4 s ASP 84 Cb 0.01 -0.34 -0.03 0.00 -0.30 0.00 0.00 42.92 42.26 1bw4 s ASP 84 CO 0.08 -0.87 -0.16 -1.58 -0.17 0.00 0.00 175.17 172.47 1bw4 s GLN 85 N -4.33 0.95 0.24 4.34 -0.44 -1.26 0.18 119.66 119.35 1bw4 s GLN 85 Ca 0.52 -0.95 0.10 0.00 -2.50 0.00 0.00 55.36 52.53 1bw4 s GLN 85 Cb -0.06 -1.03 -0.04 0.00 -1.64 0.00 0.00 33.01 30.24 1bw4 s GLN 85 CO 0.31 0.24 -0.08 0.00 0.50 0.00 0.00 175.29 176.26 1bw4 n ALA 87 N -0.52 0.00 -2.68 0.00 0.00 -1.26 -4.52 120.51 111.53 1bw4 n ALA 87 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 1bw4 n ALA 87 Cb 0.58 0.07 0.13 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.47 -1.62 0.00 0.00 2.04 -1.26 -5.07 115.26 108.89 1bw4 n ASN 88 Ca 0.00 -2.30 0.00 0.00 -0.44 0.00 0.00 54.58 51.84 1bw4 n ASN 88 Cb 0.00 0.80 0.00 0.00 -2.53 0.00 0.00 39.78 38.05 1bw4 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw4 n GLY 89 N -1.22 4.60 0.00 4.83 0.00 -1.26 -5.05 105.19 107.08 1bw4 n GLY 89 Ca -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.75 3.20 0.00 -0.02 0.00 -1.26 -5.01 105.19 100.35 1bw4 n GLY 90 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.00 -4.18 0.99 -0.00 -1.24 -0.47 117.00 112.10 1bw4 n LEU 91 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1bw4 n LEU 91 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1bw4 n LEU 91 CO 0.00 0.00 -0.10 1.51 -0.00 0.00 0.00 177.39 178.80 1bw4 s ASP 92 N -1.83 0.63 -0.77 1.96 1.47 -1.15 0.45 116.67 117.43 1bw4 s ASP 92 Ca 0.00 -1.44 0.02 0.00 1.18 0.00 0.00 52.55 52.31 1bw4 s ASP 92 Cb 0.00 0.49 0.34 0.00 -0.34 0.00 0.00 42.92 43.41 1bw4 s ASP 92 CO 0.00 -1.00 1.40 -0.11 0.68 0.00 0.00 175.17 176.14 1bw4 n LEU 93 N -0.42 5.91 0.00 2.11 0.00 -1.00 -0.80 117.00 122.79 1bw4 n LEU 93 Ca 0.03 -5.46 0.00 0.00 0.00 0.00 0.00 56.01 50.58 1bw4 n LEU 93 Cb 0.64 -0.83 0.00 0.00 0.00 0.00 0.00 43.42 43.22 1bw4 n LEU 93 CO 0.31 2.18 0.00 0.47 0.00 0.00 0.00 177.39 180.35 1bw4 n ASP 94 N -0.22 0.00 0.00 1.96 9.92 0.12 -3.91 116.55 124.42 1bw4 n ASP 94 Ca 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 1bw4 n ASP 94 Cb 0.35 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 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 0.00 0.00 -0.01 1.24 -0.00 -1.26 -2.77 117.44 114.64 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 -0.40 -0.00 0.00 0.00 177.69 177.29 1bw4 n ASP 96 N 0.00 1.30 -0.07 5.87 5.75 -1.26 -4.63 116.55 123.51 1bw4 n ASP 96 Ca 0.00 -1.31 -0.05 0.00 -0.01 0.00 0.00 54.79 53.42 1bw4 n ASP 96 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bw4 n THR 97 N -0.15 1.42 0.00 2.12 -2.24 -1.26 -4.59 114.28 109.58 1bw4 n THR 97 Ca 0.00 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1bw4 n THR 97 Cb 0.08 -2.38 0.00 0.00 -2.10 0.00 0.00 70.33 65.93 1bw4 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bw4 n VAL 98 N -4.61 0.00 0.00 2.28 0.31 -1.26 -4.57 118.33 110.48 1bw4 n VAL 98 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1bw4 n VAL 98 Cb 0.28 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw4 n PHE 99 N -0.69 0.00 -0.04 3.52 7.35 -1.26 -0.16 117.46 126.17 1bw4 n PHE 99 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 1bw4 n PHE 99 Cb 0.00 -0.08 0.56 0.00 0.35 0.00 0.00 39.48 40.30 1bw4 n PHE 99 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1bw4 h THR 100 N 0.00 0.85 -0.00 -2.13 1.35 -1.82 -2.91 112.91 108.25 1bw4 h THR 100 Ca 0.00 -0.09 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1bw4 h THR 100 Cb 0.00 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 66.97 1bw4 h THR 100 CO 0.00 0.05 -0.00 0.11 -0.25 0.00 0.00 175.52 175.43 1bw4 h LYS 101 N 0.28 0.00 0.00 4.72 1.57 -1.73 -3.38 116.57 118.03 1bw4 h LYS 101 Ca 0.26 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1bw4 h LYS 101 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1bw4 h LYS 101 CO -0.06 0.71 0.00 0.44 -0.57 0.00 0.00 179.45 179.97 1bw4 n ILE 102 N -4.75 0.00 0.04 1.86 -5.35 0.77 -4.95 119.36 106.98 1bw4 n ILE 102 Ca -0.09 1.36 0.00 0.00 -0.27 0.00 0.00 62.75 63.74 1bw4 n ILE 102 Cb 0.35 -2.33 0.00 0.00 -1.74 0.00 0.00 39.64 35.92 1bw4 n ILE 102 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1bw4 n ASP 103 N -1.62 -0.69 -0.43 7.28 5.68 -1.18 -4.74 116.55 120.85 1bw4 n ASP 103 Ca 0.00 0.15 -0.06 0.00 -0.50 0.00 0.00 54.79 54.38 1bw4 n ASP 103 Cb 0.00 1.05 -0.01 0.00 -1.14 0.00 0.00 41.12 41.03 1bw4 n ASP 103 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1bw4 n THR 104 N -2.65 0.00 1.63 2.12 5.66 -1.26 -4.77 114.28 115.02 1bw4 n THR 104 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1bw4 n THR 104 Cb 0.00 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1bw4 n THR 104 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1bw4 n ASN 105 N 0.24 0.37 0.00 1.09 0.23 -1.26 -4.63 115.26 111.29 1bw4 n ASN 105 Ca 0.02 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 1bw4 n ASN 105 Cb 0.00 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 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 0.32 2.13 0.05 4.83 0.00 -1.26 -5.00 105.19 106.25 1bw4 n GLY 106 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.42 -0.07 -0.30 -0.61 2.08 -1.26 0.11 119.36 118.88 1bw4 n ILE 107 Ca 0.00 0.26 0.27 0.00 0.56 0.00 0.00 62.75 63.84 1bw4 n ILE 107 Cb 0.00 -0.33 0.50 0.00 -0.75 0.00 0.00 39.64 39.06 1bw4 n ILE 107 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1bw4 n GLY 108 N -1.03 -0.79 0.36 7.39 0.00 -1.26 -1.53 105.19 108.32 1bw4 n GLY 108 Ca 0.00 0.78 -0.03 0.00 0.00 0.00 0.00 46.02 46.77 1bw4 n GLY 108 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bw4 n TYR 109 N -5.14 -0.06 1.12 1.61 4.19 0.29 0.20 117.16 119.38 1bw4 n TYR 109 Ca 0.33 1.12 0.04 0.00 3.31 0.00 0.00 57.90 62.70 1bw4 n TYR 109 Cb 1.11 -0.79 0.24 0.00 0.49 0.00 0.00 39.34 40.39 1bw4 n TYR 109 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw4 n GLN 110 N -5.30 0.56 -0.06 2.98 10.64 -0.58 -2.41 117.38 123.21 1bw4 n GLN 110 Ca 0.08 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.13 1bw4 n GLN 110 Cb 0.34 -1.23 -0.05 0.00 -0.86 0.00 0.00 30.24 28.44 1bw4 n GLN 110 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1bw4 n GLN 111 N -0.73 0.28 0.00 2.61 7.27 0.13 -5.03 117.38 121.92 1bw4 n GLN 111 Ca 0.06 0.10 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1bw4 n GLN 111 Cb 0.03 -1.04 0.00 0.00 2.41 0.00 0.00 30.24 31.63 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bw4 n GLY 112 N 2.42 1.29 3.80 1.69 0.00 0.27 -5.06 105.19 109.59 1bw4 n GLY 112 Ca -0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.07 0.21 1.61 0.00 -1.20 -4.13 115.29 109.69 1bw4 s HIS 113 Ca 0.00 -0.30 0.03 0.00 -3.00 0.00 0.00 55.06 51.79 1bw4 s HIS 113 Cb 0.00 0.68 -0.01 0.00 -4.00 0.00 0.00 32.58 29.24 1bw4 s HIS 113 CO 0.00 -0.95 0.11 -0.11 -1.00 0.00 0.00 174.74 172.79 1bw4 n LEU 114 N -0.52 0.00 -3.94 5.38 7.94 0.69 -4.69 117.00 121.87 1bw4 n LEU 114 Ca -0.05 -1.73 -0.31 0.00 -1.11 0.00 0.00 56.01 52.81 1bw4 n LEU 114 Cb 0.60 0.70 -0.15 0.00 0.53 0.00 0.00 43.42 45.10 1bw4 n LEU 114 CO 0.16 -0.27 -0.39 0.21 -1.11 0.00 0.00 177.39 175.99 1bw4 s ASN 115 N -2.34 4.12 0.42 1.96 3.84 -1.26 0.14 114.94 121.82 1bw4 s ASN 115 Ca 0.15 -1.47 0.04 0.00 0.21 0.00 0.00 52.86 51.79 1bw4 s ASN 115 Cb 0.01 -1.26 -0.02 0.00 -0.55 0.00 0.00 41.25 39.44 1bw4 s ASN 115 CO 0.11 -0.29 0.15 1.33 -2.79 0.00 0.00 177.10 175.61 1bw4 n VAL 116 N 4.59 0.00 -5.10 -5.21 0.24 -0.14 -4.53 118.33 108.18 1bw4 n VAL 116 Ca -0.07 -2.43 -0.29 0.00 -2.04 0.00 0.00 64.34 59.51 1bw4 n VAL 116 Cb 0.43 0.87 -0.16 0.00 -1.47 0.00 0.00 33.84 33.51 1bw4 n VAL 116 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1bw4 s ASN 117 N -3.56 2.68 -0.07 -1.34 0.01 -0.25 -1.86 114.94 110.55 1bw4 s ASN 117 Ca 0.21 -0.43 -0.00 0.00 -0.71 0.00 0.00 52.86 51.93 1bw4 s ASN 117 Cb 0.01 -0.59 0.02 0.00 0.41 0.00 0.00 41.25 41.11 1bw4 s ASN 117 CO 0.15 0.23 -0.03 -0.72 -1.51 0.00 0.00 177.10 175.22 1bw4 s TYR 118 N -0.24 0.84 -0.02 2.20 -0.85 -0.93 -1.70 117.35 116.64 1bw4 s TYR 118 Ca 0.01 -0.28 0.08 0.00 -0.52 0.00 0.00 57.07 56.36 1bw4 s TYR 118 Cb -0.11 -0.83 -0.02 0.00 0.38 0.00 0.00 41.96 41.38 1bw4 s TYR 118 CO 0.02 -0.31 -0.26 -0.65 -1.52 0.00 0.00 175.55 172.83 1bw4 s GLN 119 N 1.53 2.14 -0.28 -3.49 -1.52 -0.50 -2.74 119.66 114.80 1bw4 s GLN 119 Ca -0.01 -0.92 -0.29 0.00 -1.95 0.00 0.00 55.36 52.18 1bw4 s GLN 119 Cb -0.13 -2.05 -0.00 0.00 -0.22 0.00 0.00 33.01 30.61 1bw4 s GLN 119 CO -0.04 0.55 1.27 -0.06 -0.25 0.00 0.00 175.29 176.77 1bw4 s PHE 120 N -0.59 2.76 0.22 0.91 0.40 -0.39 -0.49 117.98 120.80 1bw4 s PHE 120 Ca 0.09 0.93 0.08 0.00 -0.60 0.00 0.00 56.93 57.43 1bw4 s PHE 120 Cb -0.10 -3.81 -0.05 0.00 0.51 0.00 0.00 43.02 39.57 1bw4 s PHE 120 CO -0.01 -1.62 -0.14 0.08 0.70 0.00 0.00 175.22 174.23 1bw4 s VAL 121 N 4.15 1.84 0.26 -0.44 1.01 0.11 -4.94 120.40 122.39 1bw4 s VAL 121 Ca 0.55 -2.23 -0.10 0.00 0.00 0.00 0.00 61.98 60.20 1bw4 s VAL 121 Cb -0.17 -2.13 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 1bw4 s VAL 121 CO 0.21 -0.53 0.59 -0.62 0.00 0.00 0.00 175.10 174.74 1bw4 s ASP 122 N -3.36 6.61 -0.20 3.32 2.15 -1.26 0.02 116.67 123.94 1bw4 s ASP 122 Ca 0.24 0.95 -0.20 0.00 0.43 0.00 0.00 52.55 53.98 1bw4 s ASP 122 Cb -0.01 -2.24 -0.20 0.00 -0.30 0.00 0.00 42.92 40.18 1bw4 s ASP 122 CO 0.09 -0.13 0.22 0.00 -0.17 0.00 0.00 175.17 175.17 1bw4 n ARG 124 N -4.33 -4.98 0.00 0.00 0.63 -1.26 -5.13 116.66 101.58 1bw4 n ARG 124 Ca -0.33 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1bw4 n ARG 124 Cb 0.73 -5.33 0.00 0.00 0.45 0.00 0.00 32.46 28.30 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65