#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1suy n MET 2 N 0.00 0.00 -1.35 0.00 3.85 -1.26 -4.01 117.12 114.35 1suy n MET 2 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.70 56.56 1suy n MET 2 Cb 0.00 -0.87 -0.14 0.00 -1.05 0.00 0.00 33.22 31.16 1suy n MET 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1suy n ALA 3 N -1.09 0.83 -1.49 3.17 0.00 -1.26 0.38 120.51 121.05 1suy n ALA 3 Ca 0.08 -0.99 -0.15 0.00 0.00 0.00 0.00 53.44 52.39 1suy n ALA 3 Cb 0.38 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 1suy n ALA 3 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1suy n ARG 4 N 5.57 -1.37 -2.63 0.00 0.00 -1.26 -4.86 116.66 112.11 1suy n ARG 4 Ca 0.43 0.86 -0.42 0.00 -0.00 0.00 0.00 57.85 58.73 1suy n ARG 4 Cb 0.29 -5.16 -0.03 0.00 -0.00 0.00 0.00 32.46 27.57 1suy n ARG 4 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1suy s MET 5 N -3.36 3.63 0.67 2.89 -1.94 0.16 -4.99 119.30 116.37 1suy s MET 5 Ca 0.00 -1.33 -0.06 0.00 -1.71 0.00 0.00 55.69 52.59 1suy s MET 5 Cb 0.00 -5.29 0.04 0.00 2.01 0.00 0.00 34.83 31.59 1suy s MET 5 CO 0.00 -2.13 0.98 -1.54 -0.01 0.00 0.00 175.02 172.32 1suy s SER 6 N 4.65 5.07 0.18 3.03 1.04 -1.26 -4.34 113.70 122.06 1suy s SER 6 Ca 0.44 0.54 0.19 0.00 0.48 0.00 0.00 55.95 57.60 1suy s SER 6 Cb -0.01 -1.30 0.84 0.00 0.10 0.00 0.00 66.02 65.65 1suy s SER 6 CO -0.08 -1.42 1.58 -0.81 0.98 0.00 0.00 173.24 173.49 1suy n PRO 7 N -2.81 0.12 0.08 4.02 -0.04 -1.26 -3.00 135.00 132.11 1suy n PRO 7 Ca 0.07 0.41 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1suy n PRO 7 Cb 0.59 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 1suy n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1suy h ALA 8 N 2.27 -0.28 -0.82 0.55 0.00 -1.98 -2.34 119.26 116.66 1suy h ALA 8 Ca 0.00 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 54.91 1suy h ALA 8 Cb 0.26 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.02 1suy h ALA 8 CO 0.00 -0.35 0.14 -0.44 0.00 0.00 0.00 179.25 178.60 1suy h ASP 9 N -0.91 -0.14 -0.41 0.00 3.32 -1.92 1.16 116.42 117.51 1suy h ASP 9 Ca -0.03 0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.23 1suy h ASP 9 Cb 0.50 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1suy h ASP 9 CO 0.05 -0.15 0.25 0.50 -1.72 0.00 0.00 179.24 178.16 1suy h LYS 10 N 0.17 0.49 -0.75 3.56 1.63 -1.62 0.25 116.57 120.31 1suy h LYS 10 Ca 0.49 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.23 1suy h LYS 10 Cb 0.93 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.41 1suy h LYS 10 CO -0.65 0.33 0.36 -0.09 -3.45 0.00 0.00 179.45 175.95 1suy h ARG 11 N 0.51 1.06 -0.57 1.90 9.65 0.82 0.20 114.38 127.94 1suy h ARG 11 Ca 0.16 -0.14 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1suy h ARG 11 Cb -0.02 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.33 1suy h ARG 11 CO -0.06 0.81 0.35 -0.22 2.80 0.00 0.00 179.97 183.65 1suy h LYS 12 N 1.06 0.66 -0.16 0.20 3.64 0.23 1.24 116.57 123.43 1suy h LYS 12 Ca 0.26 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1suy h LYS 12 Cb 0.10 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1suy h LYS 12 CO -0.03 0.44 0.03 -0.07 -2.27 0.00 0.00 179.45 177.54 1suy h LEU 13 N 0.68 0.00 -0.62 5.20 -0.00 0.69 0.32 115.31 121.59 1suy h LEU 13 Ca 0.23 0.03 0.06 0.00 -0.00 0.00 0.00 57.88 58.20 1suy h LEU 13 Cb 0.03 0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 40.67 1suy h LEU 13 CO -0.10 0.03 0.33 -0.07 -0.00 0.00 0.00 178.44 178.63 1suy h LEU 14 N 0.10 0.48 -1.10 1.67 3.38 0.64 2.04 115.31 122.52 1suy h LEU 14 Ca 0.07 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1suy h LEU 14 Cb 0.07 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1suy h LEU 14 CO -0.10 0.31 0.61 0.44 0.09 0.00 0.00 178.44 179.79 1suy h ASP 15 N 0.62 1.00 0.12 -0.43 3.32 0.26 0.74 116.42 122.04 1suy h ASP 15 Ca 0.28 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.13 1suy h ASP 15 Cb 0.19 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 39.53 1suy h ASP 15 CO -0.19 0.68 -0.84 -0.33 -1.72 0.00 0.00 179.24 176.84 1suy h GLU 16 N 1.15 0.35 -0.62 3.56 5.08 0.14 -2.71 114.58 121.54 1suy h GLU 16 Ca 0.37 -0.55 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1suy h GLU 16 Cb 0.04 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1suy h GLU 16 CO -0.12 1.24 0.41 -0.07 -1.00 0.00 0.00 179.01 179.47 1suy h LEU 17 N -0.25 0.66 0.36 1.33 3.38 0.36 1.54 115.31 122.69 1suy h LEU 17 Ca -0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1suy h LEU 17 Cb 1.63 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1suy h LEU 17 CO 0.16 0.47 -0.17 -0.09 0.09 0.00 0.00 178.44 178.90 1suy h ARG 18 N 0.78 -0.46 -0.34 1.13 2.43 0.46 0.60 114.38 118.98 1suy h ARG 18 Ca 0.24 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1suy h ARG 18 Cb -0.00 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1suy h ARG 18 CO -0.06 -0.26 -0.13 1.03 -1.51 0.00 0.00 179.97 179.04 1suy h SER 19 N -0.56 0.70 0.02 -3.80 0.87 -1.05 -0.94 113.55 108.79 1suy h SER 19 Ca -0.05 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.13 1suy h SER 19 Cb 0.42 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1suy h SER 19 CO 0.08 0.93 -0.09 0.40 -0.53 0.00 0.00 176.83 177.62 1suy h ILE 20 N 0.47 0.77 -0.24 2.23 2.04 0.23 0.96 117.51 123.96 1suy h ILE 20 Ca 0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1suy h ILE 20 Cb 0.65 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1suy h ILE 20 CO 0.04 0.00 -0.14 0.22 0.00 0.00 0.00 178.15 178.27 1suy h TYR 21 N -0.17 -0.35 -0.34 1.37 3.20 0.27 0.15 116.97 121.09 1suy h TYR 21 Ca 0.03 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.00 1suy h TYR 21 Cb 0.21 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.60 1suy h TYR 21 CO -0.15 -0.21 -0.10 -0.09 -1.64 0.00 0.00 178.16 175.97 1suy h ARG 22 N -0.12 -0.03 -0.89 1.82 2.43 -0.41 -0.73 114.38 116.45 1suy h ARG 22 Ca 0.13 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 1suy h ARG 22 Cb 0.32 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 1suy h ARG 22 CO -0.32 -0.02 0.54 1.15 -1.51 0.00 0.00 179.97 179.81 1suy h THR 23 N -0.03 0.97 -1.00 0.20 2.02 0.22 -0.46 112.91 114.83 1suy h THR 23 Ca 0.17 -0.32 0.10 0.00 0.77 0.00 0.00 66.41 67.13 1suy h THR 23 Cb 0.28 -0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 66.57 1suy h THR 23 CO -0.37 0.17 0.63 0.40 0.37 0.00 0.00 175.52 176.72 1suy h ILE 24 N 0.93 0.97 -0.01 3.11 2.04 0.74 -0.38 117.51 124.91 1suy h ILE 24 Ca 0.42 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1suy h ILE 24 Cb 0.31 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1suy h ILE 24 CO -0.22 0.19 -0.00 0.58 0.00 0.00 0.00 178.15 178.70 1suy h VAL 25 N 1.04 1.27 -0.89 1.67 2.07 -0.56 0.10 116.25 120.95 1suy h VAL 25 Ca 0.47 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1suy h VAL 25 Cb 0.39 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1suy h VAL 25 CO -0.24 0.20 0.59 -0.07 0.02 0.00 0.00 177.57 178.07 1suy h LEU 26 N -0.32 0.95 -0.24 2.57 3.38 -0.80 -1.26 115.31 119.58 1suy h LEU 26 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1suy h LEU 26 Cb 0.33 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1suy h LEU 26 CO 0.00 0.64 -0.28 -0.62 0.09 0.00 0.00 178.44 178.27 1suy n GLU 27 N -4.45 0.47 -0.21 1.13 1.02 -0.20 -3.99 120.64 114.41 1suy n GLU 27 Ca 0.12 -0.24 0.24 0.00 -0.02 0.00 0.00 57.16 57.26 1suy n GLU 27 Cb 0.13 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.67 1suy n GLU 27 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1suy h TYR 28 N 0.58 0.27 -0.39 -0.32 3.20 0.47 0.70 116.97 121.48 1suy h TYR 28 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1suy h TYR 28 Cb 0.47 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1suy h TYR 28 CO 0.00 0.06 0.00 1.19 -1.64 0.00 0.00 178.16 177.77 1suy n PHE 29 N -4.40 1.14 -1.72 -3.82 3.72 -1.26 -5.02 117.46 106.10 1suy n PHE 29 Ca 0.19 -0.74 -0.37 0.00 -0.05 0.00 0.00 57.45 56.48 1suy n PHE 29 Cb 0.85 -0.28 0.07 0.00 -0.94 0.00 0.00 39.48 39.17 1suy n PHE 29 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1suy n ASN 30 N 0.14 2.04 0.03 4.37 6.94 0.24 -4.94 115.26 124.08 1suy n ASN 30 Ca 0.21 0.83 0.01 0.00 -0.02 0.00 0.00 54.58 55.62 1suy n ASN 30 Cb 0.86 -1.55 -0.08 0.00 -2.36 0.00 0.00 39.78 36.65 1suy n ASN 30 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1suy n THR 31 N -1.90 1.08 0.00 5.53 -2.24 -1.26 -4.55 114.28 110.94 1suy n THR 31 Ca 0.16 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1suy n THR 31 Cb 0.48 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1suy n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1suy n ASP 32 N -2.83 0.13 -4.70 3.42 9.92 -1.26 -5.07 116.55 116.16 1suy n ASP 32 Ca -0.09 -0.04 -0.42 0.00 -0.53 0.00 0.00 54.79 53.71 1suy n ASP 32 Cb 0.81 0.10 -0.03 0.00 -0.64 0.00 0.00 41.12 41.36 1suy n ASP 32 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1suy s ALA 33 N -0.13 3.69 -1.41 2.24 0.00 -1.26 -4.89 121.76 120.00 1suy s ALA 33 Ca 0.00 1.20 -0.14 0.00 0.00 0.00 0.00 51.96 53.03 1suy s ALA 33 Cb 0.00 -3.65 0.07 0.00 0.00 0.00 0.00 23.12 19.53 1suy s ALA 33 CO 0.00 -0.96 2.11 1.63 0.00 0.00 0.00 175.76 178.54 1suy n LYS 34 N 5.03 3.02 -0.66 0.00 5.02 -1.26 -4.75 118.16 124.56 1suy n LYS 34 Ca 0.15 -2.84 0.51 0.00 -2.02 0.00 0.00 58.31 54.10 1suy n LYS 34 Cb 0.40 -3.24 0.79 0.00 -0.02 0.00 0.00 35.03 32.96 1suy n LYS 34 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1suy n VAL 35 N 4.91 -0.04 -0.33 -0.18 0.31 -1.26 0.20 118.33 121.94 1suy n VAL 35 Ca 0.49 1.51 0.16 0.00 -0.01 0.00 0.00 64.34 66.49 1suy n VAL 35 Cb 0.39 -2.50 0.38 0.00 -0.91 0.00 0.00 33.84 31.20 1suy n VAL 35 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1suy h ASN 36 N 0.00 0.67 -0.52 4.52 -0.73 -1.97 0.93 115.58 118.49 1suy h ASN 36 Ca 0.91 0.09 -0.03 0.00 1.87 0.00 0.00 56.30 59.15 1suy h ASN 36 Cb 3.57 -0.02 -0.03 0.00 0.27 0.00 0.00 38.32 42.11 1suy h ASN 36 CO -0.08 0.21 0.23 -0.33 -0.37 0.00 0.00 177.43 177.08 1suy h GLU 37 N 0.64 0.80 -0.08 6.67 5.08 0.19 2.16 114.58 130.04 1suy h GLU 37 Ca 0.58 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.77 1suy h GLU 37 Cb 1.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1suy h GLU 37 CO -0.36 0.66 -0.17 0.00 -1.00 0.00 0.00 179.01 178.14 1suy h ARG 38 N 0.80 0.25 -0.38 2.33 2.47 0.55 0.13 114.38 120.53 1suy h ARG 38 Ca 0.19 -0.17 -0.10 0.00 -1.26 0.00 0.00 59.98 58.65 1suy h ARG 38 Cb 0.15 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1suy h ARG 38 CO -0.02 0.76 -0.18 0.82 0.56 0.00 0.00 179.97 181.91 1suy h ILE 39 N -0.22 1.26 -0.45 2.04 2.04 0.23 0.58 117.51 122.99 1suy h ILE 39 Ca 0.00 -1.24 -0.15 0.00 1.00 0.00 0.00 64.86 64.47 1suy h ILE 39 Cb 0.75 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1suy h ILE 39 CO 0.04 0.41 -0.29 -0.78 0.00 0.00 0.00 178.15 177.53 1suy h ASP 40 N 0.63 1.03 -0.04 1.72 3.58 0.36 0.38 116.42 124.08 1suy h ASP 40 Ca 0.10 -0.43 -0.00 0.00 0.42 0.00 0.00 57.03 57.12 1suy h ASP 40 Cb 0.65 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 1suy h ASP 40 CO 0.05 1.23 0.01 -0.08 -2.88 0.00 0.00 179.24 177.56 1suy h GLU 41 N 0.83 0.07 -0.12 0.28 4.57 -0.44 0.14 114.58 119.91 1suy h GLU 41 Ca 0.09 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1suy h GLU 41 Cb 0.88 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 1suy h GLU 41 CO 0.08 0.31 0.05 0.35 -1.18 0.00 0.00 179.01 178.61 1suy h PHE 42 N -0.18 0.18 0.08 0.92 3.04 -0.85 -1.39 116.94 118.74 1suy h PHE 42 Ca 0.01 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.97 1suy h PHE 42 Cb 0.27 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 1suy h PHE 42 CO 0.02 0.27 -0.22 0.28 -2.02 0.00 0.00 178.31 176.63 1suy h VAL 43 N 0.03 0.50 0.01 1.41 2.07 -0.18 0.57 116.25 120.66 1suy h VAL 43 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1suy h VAL 43 Cb 0.17 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1suy h VAL 43 CO -0.00 0.00 -0.20 0.28 0.02 0.00 0.00 177.57 177.67 1suy h SER 44 N -0.40 -0.58 -0.45 0.57 0.02 -0.66 -0.86 113.55 111.20 1suy h SER 44 Ca 0.04 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1suy h SER 44 Cb 0.43 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1suy h SER 44 CO -0.14 -0.27 0.07 0.11 -1.14 0.00 0.00 176.83 175.46 1suy h LYS 45 N -0.32 0.74 -0.53 3.45 1.57 -1.08 -0.15 116.57 120.24 1suy h LYS 45 Ca 0.06 -0.20 0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1suy h LYS 45 Cb 0.40 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 1suy h LYS 45 CO -0.18 0.77 0.18 0.00 -0.57 0.00 0.00 179.45 179.64 1suy h ALA 46 N 0.94 0.65 0.63 3.86 0.00 0.42 1.74 119.26 127.50 1suy h ALA 46 Ca 0.14 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1suy h ALA 46 Cb 0.39 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1suy h ALA 46 CO 0.01 -0.22 -0.30 0.35 0.00 0.00 0.00 179.25 179.08 1suy h PHE 47 N 0.35 -0.78 -0.48 0.00 3.04 -1.01 0.61 116.94 118.66 1suy h PHE 47 Ca 0.26 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.26 1suy h PHE 47 Cb 0.31 0.26 -0.06 0.00 2.56 0.00 0.00 35.95 39.02 1suy h PHE 47 CO -0.18 -0.45 0.17 0.35 -2.02 0.00 0.00 178.31 176.18 1suy h PHE 48 N -1.16 0.30 0.00 0.41 3.57 -0.78 0.25 116.94 119.54 1suy h PHE 48 Ca -0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1suy h PHE 48 Cb 0.68 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1suy h PHE 48 CO 0.00 0.10 0.00 0.00 -2.23 0.00 0.00 178.31 176.18 1suy n ALA 49 N -2.41 2.11 -4.35 2.41 0.00 0.59 -4.80 120.51 114.05 1suy n ALA 49 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 1suy n ALA 49 Cb 0.19 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1suy n ALA 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1suy n ASP 50 N -0.08 -2.68 -4.73 0.00 -0.08 0.08 -4.87 116.55 104.20 1suy n ASP 50 Ca 0.00 -1.11 -0.41 0.00 -1.51 0.00 0.00 54.79 51.76 1suy n ASP 50 Cb 0.11 -2.29 -0.04 0.00 2.34 0.00 0.00 41.12 41.24 1suy n ASP 50 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1suy s ILE 51 N -3.29 4.63 0.28 5.18 -1.09 0.21 -5.03 121.20 122.09 1suy s ILE 51 Ca 0.77 2.00 -0.09 0.00 -2.23 0.00 0.00 60.65 61.10 1suy s ILE 51 Cb -0.43 -4.29 -0.07 0.00 -1.58 0.00 0.00 42.46 36.09 1suy s ILE 51 CO 0.97 0.28 0.61 -0.44 -1.23 0.00 0.00 174.94 175.13 1suy s SER 52 N 0.25 6.58 0.62 3.58 0.01 -1.26 -4.71 113.70 118.77 1suy s SER 52 Ca 0.47 0.94 0.31 0.00 1.31 0.00 0.00 55.95 58.98 1suy s SER 52 Cb -0.22 -2.24 1.69 0.00 0.21 0.00 0.00 66.02 65.47 1suy s SER 52 CO 0.28 -0.17 2.03 0.58 0.41 0.00 0.00 173.24 176.37 1suy h VAL 53 N 1.69 0.26 -0.27 3.43 2.07 -1.98 -2.72 116.25 118.72 1suy h VAL 53 Ca -0.47 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1suy h VAL 53 Cb 1.18 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1suy h VAL 53 CO 0.67 0.00 -0.41 0.77 0.02 0.00 0.00 177.57 178.62 1suy h SER 54 N 0.00 -1.37 -0.81 0.57 4.64 -1.98 1.39 113.55 115.99 1suy h SER 54 Ca 0.08 0.18 0.07 0.00 -0.47 0.00 0.00 61.79 61.64 1suy h SER 54 Cb 0.64 0.56 -0.06 0.00 -0.31 0.00 0.00 62.40 63.22 1suy h SER 54 CO -0.00 -0.31 0.48 1.56 -0.87 0.00 0.00 176.83 177.69 1suy h GLN 55 N -0.32 0.85 -0.88 4.77 4.20 -1.89 1.76 115.11 123.60 1suy h GLN 55 Ca 0.05 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1suy h GLN 55 Cb 0.45 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1suy h GLN 55 CO -0.42 0.56 0.57 0.28 -0.67 0.00 0.00 178.83 179.14 1suy h VAL 56 N 0.87 1.13 -0.06 -0.54 2.07 -1.14 2.72 116.25 121.31 1suy h VAL 56 Ca 0.36 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1suy h VAL 56 Cb 0.21 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1suy h VAL 56 CO -0.19 0.20 -0.23 -0.07 0.02 0.00 0.00 177.57 177.30 1suy h LEU 57 N 1.09 0.30 0.03 2.57 3.38 0.38 -2.48 115.31 120.59 1suy h LEU 57 Ca 0.36 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1suy h LEU 57 Cb 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1suy h LEU 57 CO -0.13 0.89 -0.01 -0.33 0.09 0.00 0.00 178.44 178.95 1suy h GLU 58 N -0.27 -0.03 -0.92 1.13 5.08 0.30 -2.81 114.58 117.06 1suy h GLU 58 Ca -0.01 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 1suy h GLU 58 Cb 0.88 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 1suy h GLU 58 CO 0.05 0.45 0.59 0.82 -1.00 0.00 0.00 179.01 179.92 1suy h ILE 59 N -0.54 0.88 0.07 3.13 2.04 0.47 -1.62 117.51 121.94 1suy h ILE 59 Ca -0.00 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1suy h ILE 59 Cb 0.50 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1suy h ILE 59 CO 0.01 0.15 -0.07 -0.74 0.00 0.00 0.00 178.15 177.50 1suy h HIS 60 N 0.80 -0.17 -0.24 1.37 2.76 -1.39 -2.58 115.15 115.71 1suy h HIS 60 Ca 0.45 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.68 1suy h HIS 60 Cb 0.60 0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.56 1suy h HIS 60 CO -0.00 -0.10 -0.16 0.28 -1.30 0.00 0.00 177.93 176.64 1suy h VAL 61 N -0.15 0.54 -0.12 5.26 2.07 -1.04 0.11 116.25 122.92 1suy h VAL 61 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1suy h VAL 61 Cb 0.14 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1suy h VAL 61 CO -0.01 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.05 1suy h GLU 62 N -0.15 -0.24 -0.86 1.57 4.39 -1.35 0.11 114.58 118.06 1suy h GLU 62 Ca 0.14 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1suy h GLU 62 Cb 0.35 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1suy h GLU 62 CO -0.33 -0.16 0.49 1.25 -1.16 0.00 0.00 179.01 179.10 1suy h LEU 63 N -0.24 1.05 -0.91 1.33 5.85 -1.14 -1.65 115.31 119.60 1suy h LEU 63 Ca 0.10 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1suy h LEU 63 Cb 0.39 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1suy h LEU 63 CO -0.27 0.83 0.58 0.24 -0.34 0.00 0.00 178.44 179.49 1suy h MET 64 N 1.19 1.03 0.00 1.25 2.86 0.09 0.27 114.93 121.62 1suy h MET 64 Ca 0.30 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 1suy h MET 64 Cb -0.00 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.42 1suy h MET 64 CO -0.05 0.68 -0.12 0.22 1.06 0.00 0.00 176.91 178.70 1suy h ASP 65 N 1.06 0.00 -0.52 1.22 3.58 0.09 -1.12 116.42 120.74 1suy h ASP 65 Ca 0.39 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.74 1suy h ASP 65 Cb 0.15 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1suy h ASP 65 CO -0.17 0.12 -0.06 0.74 -2.88 0.00 0.00 179.24 177.00 1suy h THR 66 N 0.00 1.27 -0.05 2.25 2.02 0.21 -1.19 112.91 117.41 1suy h THR 66 Ca -0.00 -1.19 -0.08 0.00 0.77 0.00 0.00 66.41 65.91 1suy h THR 66 Cb 0.23 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1suy h THR 66 CO 0.02 0.42 -0.27 -0.26 0.37 0.00 0.00 175.52 175.79 1suy h PHE 67 N 0.82 0.38 -0.90 3.16 0.04 -0.75 -2.74 116.94 116.93 1suy h PHE 67 Ca 0.14 -0.17 0.05 0.00 2.80 0.00 0.00 57.97 60.79 1suy h PHE 67 Cb 0.61 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.64 1suy h PHE 67 CO 0.04 0.90 0.58 0.66 -0.60 0.00 0.00 178.31 179.89 1suy h SER 68 N -0.25 0.93 0.07 2.17 4.64 -1.24 -0.26 113.55 119.61 1suy h SER 68 Ca -0.02 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1suy h SER 68 Cb 0.93 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1suy h SER 68 CO 0.06 0.61 -0.04 0.50 -0.87 0.00 0.00 176.83 177.09 1suy h LYS 69 N 1.08 -0.10 -0.50 4.77 3.64 -1.23 -2.42 116.57 121.80 1suy h LYS 69 Ca 0.38 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1suy h LYS 69 Cb 0.10 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1suy h LYS 69 CO -0.15 -0.07 0.33 1.96 -2.27 0.00 0.00 179.45 179.25 1suy h GLN 70 N -0.10 0.66 -0.98 1.90 4.20 -1.12 -1.78 115.11 117.89 1suy h GLN 70 Ca -0.01 -0.04 0.19 0.00 0.06 0.00 0.00 58.65 58.85 1suy h GLN 70 Cb 0.08 -0.15 -0.10 0.00 0.30 0.00 0.00 27.48 27.62 1suy h GLN 70 CO 0.01 0.44 0.61 -0.07 -0.67 0.00 0.00 178.83 179.15 1suy h LEU 71 N 0.68 0.69 0.14 1.46 4.07 -0.82 1.23 115.31 122.76 1suy h LEU 71 Ca 0.18 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.22 1suy h LEU 71 Cb -0.07 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1suy h LEU 71 CO -0.04 0.26 -0.07 0.11 -1.08 0.00 0.00 178.44 177.62 1suy h LYS 72 N 0.68 -0.18 -0.18 1.13 1.57 -0.89 1.51 116.57 120.22 1suy h LYS 72 Ca 0.55 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.30 1suy h LYS 72 Cb 0.96 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1suy h LYS 72 CO -0.32 0.27 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.67 1suy h LEU 73 N -0.75 0.25 -1.00 2.94 3.38 -0.58 -2.07 115.31 117.50 1suy h LEU 73 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1suy h LEU 73 Cb 0.53 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1suy h LEU 73 CO 0.03 0.38 -0.37 -0.62 0.09 0.00 0.00 178.44 177.94 1suy n GLU 74 N -4.30 1.27 -3.65 1.13 1.02 0.42 -4.99 120.64 111.53 1suy n GLU 74 Ca -0.00 -1.00 -0.28 0.00 -0.02 0.00 0.00 57.16 55.86 1suy n GLU 74 Cb 0.24 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.22 1suy n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1suy n GLY 75 N 1.39 -0.86 3.38 0.62 0.00 0.46 -4.98 105.19 105.20 1suy n GLY 75 Ca 0.11 0.41 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 1suy n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1suy s ARG 76 N -5.83 2.05 -0.47 1.61 0.52 0.18 -5.00 118.95 112.01 1suy s ARG 76 Ca 0.38 -0.97 -0.44 0.00 -0.52 0.00 0.00 55.73 54.17 1suy s ARG 76 Cb -0.12 -2.10 -0.18 0.00 0.52 0.00 0.00 34.95 33.07 1suy s ARG 76 CO 0.84 0.55 1.97 0.45 0.02 0.00 0.00 175.30 179.13 1suy n SER 77 N 1.98 1.12 0.00 0.23 2.88 -1.26 -4.71 113.62 113.85 1suy n SER 77 Ca -0.16 0.82 0.14 0.00 -1.33 0.00 0.00 58.87 58.34 1suy n SER 77 Cb 0.52 -0.95 0.73 0.00 -0.75 0.00 0.00 64.21 63.76 1suy n SER 77 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1suy n GLU 78 N 6.44 0.36 -0.18 -1.46 0.28 -1.26 -3.58 120.64 121.25 1suy n GLU 78 Ca 0.45 0.01 0.16 0.00 -0.16 0.00 0.00 57.16 57.62 1suy n GLU 78 Cb -0.01 -1.50 0.50 0.00 1.43 0.00 0.00 31.44 31.87 1suy n GLU 78 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1suy h ASP 79 N 0.00 0.40 0.00 -1.84 3.32 -2.03 0.16 116.42 116.43 1suy h ASP 79 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1suy h ASP 79 Cb 0.31 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1suy h ASP 79 CO 0.00 0.20 0.29 -0.29 -1.72 0.00 0.00 179.24 177.72 1suy h ILE 80 N 0.42 0.00 -0.00 0.35 2.10 -1.95 0.23 117.51 118.65 1suy h ILE 80 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.33 1suy h ILE 80 Cb 0.90 0.31 -0.00 0.00 -1.09 0.00 0.00 36.82 36.94 1suy h ILE 80 CO -0.13 0.00 0.04 -0.07 -1.08 0.00 0.00 178.15 176.91 1suy h LEU 81 N 0.00 0.00 -2.07 2.19 4.07 -0.96 -1.18 115.31 117.35 1suy h LEU 81 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1suy h LEU 81 Cb 0.58 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 1suy h LEU 81 CO 0.00 0.00 -0.02 0.17 -1.08 0.00 0.00 178.44 177.51 1suy h LEU 82 N 0.00 0.00 -0.43 1.67 -0.00 -1.17 -2.16 115.31 113.21 1suy h LEU 82 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1suy h LEU 82 Cb 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.71 1suy h LEU 82 CO -0.00 0.02 0.26 -2.24 -0.00 0.00 0.00 178.44 176.49 1suy h ASP 83 N 0.00 0.43 -0.94 0.17 2.03 -1.45 0.17 116.42 116.84 1suy h ASP 83 Ca -0.00 -0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.33 1suy h ASP 83 Cb 0.05 -0.09 -0.05 0.00 -0.83 0.00 0.00 39.33 38.40 1suy h ASP 83 CO 0.00 0.31 0.62 1.88 -1.03 0.00 0.00 179.24 181.02 1suy h TYR 84 N 0.53 1.15 -0.50 4.15 0.05 -1.57 1.02 116.97 121.79 1suy h TYR 84 Ca 0.17 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.89 1suy h TYR 84 Cb -0.01 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.33 1suy h TYR 84 CO -0.06 0.67 -0.01 0.00 -1.05 0.00 0.00 178.16 177.71 1suy h ARG 85 N 1.19 0.89 -0.16 4.88 3.08 -1.32 2.15 114.38 125.08 1suy h ARG 85 Ca 0.37 -0.29 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1suy h ARG 85 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1suy h ARG 85 CO -0.11 0.92 -0.40 -0.07 -1.07 0.00 0.00 179.97 179.24 1suy h LEU 86 N 0.75 0.38 0.11 3.04 3.38 0.11 0.15 115.31 123.23 1suy h LEU 86 Ca 0.14 -0.16 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 1suy h LEU 86 Cb 0.53 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 41.20 1suy h LEU 86 CO 0.03 0.74 -1.21 0.74 0.09 0.00 0.00 178.44 178.82 1suy h THR 87 N 0.30 1.29 -0.05 0.22 2.02 0.15 -0.94 112.91 115.90 1suy h THR 87 Ca 0.03 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 64.76 1suy h THR 87 Cb 0.83 2.70 -0.00 0.00 -1.74 0.00 0.00 68.15 69.94 1suy h THR 87 CO 0.07 0.74 -0.01 0.25 0.37 0.00 0.00 175.52 176.94 1suy h LEU 88 N 0.25 0.09 -0.35 2.58 7.12 0.37 0.20 115.31 125.57 1suy h LEU 88 Ca -0.18 -0.38 -0.09 0.00 0.13 0.00 0.00 57.88 57.36 1suy h LEU 88 Cb 1.89 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.99 1suy h LEU 88 CO 0.23 0.45 -0.15 0.40 -0.13 0.00 0.00 178.44 179.25 1suy h ILE 89 N -0.26 1.28 -0.32 4.05 2.04 -0.82 -1.70 117.51 121.78 1suy h ILE 89 Ca 0.01 -1.25 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 1suy h ILE 89 Cb 0.41 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1suy h ILE 89 CO 0.01 0.41 0.09 -0.78 0.00 0.00 0.00 178.15 177.88 1suy h ASP 90 N 0.50 0.47 0.33 1.72 1.82 -1.18 0.04 116.42 120.13 1suy h ASP 90 Ca 0.08 -0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.49 1suy h ASP 90 Cb 0.68 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1suy h ASP 90 CO 0.05 0.56 -0.21 0.58 -1.61 0.00 0.00 179.24 178.61 1suy h VAL 91 N 0.36 0.56 -0.73 2.25 2.07 -0.56 0.10 116.25 120.30 1suy h VAL 91 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1suy h VAL 91 Cb 0.27 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1suy h VAL 91 CO -0.00 0.00 0.44 0.40 0.02 0.00 0.00 177.57 178.43 1suy h ILE 92 N -0.52 1.04 -0.17 4.57 2.04 -1.27 -1.36 117.51 121.84 1suy h ILE 92 Ca -0.03 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1suy h ILE 92 Cb 0.43 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1suy h ILE 92 CO 0.03 0.15 -0.12 0.00 0.00 0.00 0.00 178.15 178.21 1suy h ALA 93 N 1.34 1.48 0.06 1.87 0.00 -0.67 0.18 119.26 123.53 1suy h ALA 93 Ca 0.31 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1suy h ALA 93 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1suy h ALA 93 CO -0.15 0.37 -0.03 1.25 0.00 0.00 0.00 179.25 180.69 1suy h HIS 94 N 0.25 -0.07 -0.16 0.00 -0.00 0.27 -2.10 115.15 113.34 1suy h HIS 94 Ca 0.05 -0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.26 1suy h HIS 94 Cb 0.38 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1suy h HIS 94 CO 0.01 0.42 -0.55 1.37 -0.00 0.00 0.00 177.93 179.18 1suy h LEU 95 N -0.61 0.55 -1.53 0.26 -0.00 -1.30 -2.56 115.31 110.11 1suy h LEU 95 Ca -0.01 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1suy h LEU 95 Cb 0.53 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.01 1suy h LEU 95 CO 0.01 0.99 0.29 0.00 -0.00 0.00 0.00 178.44 179.73 1suy h GLU 97 N 0.62 0.99 -0.86 0.00 4.57 -1.03 -2.71 114.58 116.16 1suy h GLU 97 Ca 0.17 -0.35 0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1suy h GLU 97 Cb -0.05 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 1suy h GLU 97 CO -0.03 1.02 0.56 0.00 -1.18 0.00 0.00 179.01 179.38 1suy h MET 98 N 0.86 1.08 -0.29 1.92 -0.00 -0.76 -2.11 114.93 115.64 1suy h MET 98 Ca 0.14 -0.06 0.04 0.00 -0.00 0.00 0.00 59.70 59.82 1suy h MET 98 Cb 0.62 -0.24 -0.04 0.00 -0.00 0.00 0.00 31.60 31.94 1suy h MET 98 CO 0.04 0.71 0.04 1.88 -0.00 0.00 0.00 176.91 179.58 1suy h TYR 99 N 1.11 0.06 -0.75 -0.10 0.05 -0.99 0.97 116.97 117.33 1suy h TYR 99 Ca 0.33 0.02 0.07 0.00 0.05 0.00 0.00 58.73 59.20 1suy h TYR 99 Cb -0.06 0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.65 1suy h TYR 99 CO -0.02 -0.00 0.49 -0.09 -1.05 0.00 0.00 178.16 177.49 1suy h ARG 100 N 0.13 0.75 0.00 4.88 2.43 -1.12 -0.85 114.38 120.60 1suy h ARG 100 Ca 0.13 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 1suy h ARG 100 Cb 0.15 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1suy h ARG 100 CO -0.19 0.50 -0.72 0.00 -1.51 0.00 0.00 179.97 178.05 1suy h ARG 101 N 0.77 0.00 0.00 0.20 3.08 -0.62 -2.87 114.38 114.94 1suy h ARG 101 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1suy h ARG 101 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1suy h ARG 101 CO -0.11 0.72 0.00 -1.13 -1.07 0.00 0.00 179.97 178.37 1suy n SER 102 N -3.62 0.00 -4.21 7.04 3.41 0.23 -4.52 113.62 111.95 1suy n SER 102 Ca -0.01 -1.47 -0.41 0.00 -0.26 0.00 0.00 58.87 56.73 1suy n SER 102 Cb 0.71 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.58 1suy n SER 102 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1suy s ILE 103 N -2.00 4.23 -0.19 -1.33 1.01 -1.09 -5.05 121.20 116.78 1suy s ILE 103 Ca 0.08 -1.89 -0.29 0.00 0.00 0.00 0.00 60.65 58.55 1suy s ILE 103 Cb 0.04 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1suy s ILE 103 CO 0.06 -0.79 1.65 -2.16 0.00 0.00 0.00 174.94 173.70 1suy s PRO 104 N 1.23 3.83 0.04 2.79 0.04 -1.26 -5.00 135.00 136.67 1suy s PRO 104 Ca 0.07 1.76 0.09 0.00 0.04 0.00 0.00 61.00 62.96 1suy s PRO 104 Cb -0.25 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 1suy s PRO 104 CO -0.01 -1.26 -0.25 1.03 0.04 0.00 0.00 177.00 176.55 1suy s ARG 105 N 4.65 1.86 1.18 4.56 1.81 -1.26 -5.13 118.95 126.62 1suy s ARG 105 Ca 0.73 -1.08 -0.16 0.00 -1.72 0.00 0.00 55.73 53.50 1suy s ARG 105 Cb -0.27 -2.02 0.28 0.00 -0.45 0.00 0.00 34.95 32.49 1suy s ARG 105 CO 0.30 0.52 1.05 -1.21 -0.68 0.00 0.00 175.30 175.27 1suy s GLU 106 N -1.24 -1.04 0.00 3.54 8.01 -1.26 -5.29 118.70 121.41 1suy s GLU 106 Ca 0.12 0.38 0.00 0.00 0.01 0.00 0.00 54.97 55.49 1suy s GLU 106 Cb -0.10 -1.58 0.00 0.00 -4.31 0.00 0.00 34.13 28.14 1suy s GLU 106 CO 0.02 -3.69 0.00 1.55 0.01 0.00 0.00 175.26 173.16