#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a67 s ALA 10 N 0.00 1.10 -0.15 4.61 0.00 -1.26 -4.98 121.76 121.08 1a67 s ALA 10 Ca 0.00 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.47 1a67 s ALA 10 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1a67 s ALA 10 CO 0.00 -0.07 0.91 -1.25 0.00 0.00 0.00 175.76 175.34 1a67 s PRO 11 N -2.99 4.34 0.09 0.00 0.04 -1.26 -4.51 135.00 130.71 1a67 s PRO 11 Ca 0.07 1.18 -0.00 0.00 0.04 0.00 0.00 61.00 62.28 1a67 s PRO 11 Cb -0.01 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1a67 s PRO 11 CO -0.01 -0.34 -0.01 0.14 0.04 0.00 0.00 177.00 176.82 1a67 s VAL 12 N 2.16 0.32 0.55 -0.36 -7.23 -1.11 -5.00 120.40 109.72 1a67 s VAL 12 Ca 0.42 -1.87 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 1a67 s VAL 12 Cb -0.17 -1.73 -0.06 0.00 0.56 0.00 0.00 36.38 34.98 1a67 s VAL 12 CO 0.14 -0.80 1.02 -2.16 -0.31 0.00 0.00 175.10 172.98 1a67 s PRO 13 N -3.94 3.69 -0.09 4.82 0.04 -1.26 -1.58 135.00 136.68 1a67 s PRO 13 Ca 0.14 1.07 -0.09 0.00 0.04 0.00 0.00 61.00 62.16 1a67 s PRO 13 Cb 0.07 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1a67 s PRO 13 CO -0.05 -0.49 0.20 0.08 0.04 0.00 0.00 177.00 176.78 1a67 s VAL 14 N -2.54 5.40 0.04 -0.36 1.01 -1.26 -4.84 120.40 117.86 1a67 s VAL 14 Ca 0.61 0.35 -0.28 0.00 0.00 0.00 0.00 61.98 62.66 1a67 s VAL 14 Cb -0.13 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1a67 s VAL 14 CO 0.33 0.61 0.91 1.51 0.00 0.00 0.00 175.10 178.46 1a67 s ASP 15 N -1.05 7.35 0.00 3.32 1.47 -1.26 -4.91 116.67 121.59 1a67 s ASP 15 Ca 0.17 1.62 0.21 0.00 1.18 0.00 0.00 52.55 55.73 1a67 s ASP 15 Cb -0.13 -2.54 1.23 0.00 -0.34 0.00 0.00 42.92 41.14 1a67 s ASP 15 CO 0.06 -0.13 1.72 -1.84 0.68 0.00 0.00 175.17 175.66 1a67 n GLU 16 N 3.29 0.88 0.23 2.11 0.00 -1.26 -3.21 120.64 122.67 1a67 n GLU 16 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.29 1a67 n GLU 16 Cb 0.50 -1.37 0.46 0.00 0.00 0.00 0.00 31.44 31.03 1a67 n GLU 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1a67 h ASN 17 N 0.00 0.00 -3.37 -1.84 4.21 -2.05 -3.42 115.58 109.11 1a67 h ASN 17 Ca 0.00 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.93 1a67 h ASN 17 Cb 0.00 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.13 1a67 h ASN 17 CO 0.00 0.19 0.07 -0.62 -1.29 0.00 0.00 177.43 175.77 1a67 s ASP 18 N -6.12 6.82 0.00 5.81 -1.08 -1.20 -4.93 116.67 115.97 1a67 s ASP 18 Ca 0.01 0.99 0.26 0.00 -0.52 0.00 0.00 52.55 53.29 1a67 s ASP 18 Cb 0.10 -2.37 1.33 0.00 -1.46 0.00 0.00 42.92 40.52 1a67 s ASP 18 CO 0.63 -0.16 1.88 1.21 0.52 0.00 0.00 175.17 179.25 1a67 n GLU 19 N 4.27 1.27 0.05 4.34 4.07 -1.26 -3.73 120.64 129.65 1a67 n GLU 19 Ca -0.02 -0.39 -0.08 0.00 -0.06 0.00 0.00 57.16 56.61 1a67 n GLU 19 Cb 0.51 -1.43 0.07 0.00 -0.06 0.00 0.00 31.44 30.53 1a67 n GLU 19 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1a67 h GLY 20 N 5.07 0.41 2.00 8.31 0.00 -1.96 -2.80 103.07 114.10 1a67 h GLY 20 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1a67 h GLY 20 CO 0.00 0.47 0.00 -2.00 0.00 0.00 0.00 176.54 175.01 1a67 h LEU 21 N 0.27 0.00 -0.62 3.11 5.85 -1.95 -2.72 115.31 119.26 1a67 h LEU 21 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1a67 h LEU 21 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1a67 h LEU 21 CO 0.11 0.00 0.00 1.67 -0.34 0.00 0.00 178.44 179.88 1a67 n GLN 22 N -2.49 0.08 -0.06 1.25 7.27 -1.06 -2.14 117.38 120.24 1a67 n GLN 22 Ca 0.02 0.50 -0.20 0.00 0.07 0.00 0.00 57.00 57.39 1a67 n GLN 22 Cb 0.27 -1.72 -0.13 0.00 2.41 0.00 0.00 30.24 31.07 1a67 n GLN 22 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1a67 h ARG 23 N 0.00 0.09 0.00 3.69 2.43 -1.67 -3.29 114.38 115.63 1a67 h ARG 23 Ca 0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1a67 h ARG 23 Cb 0.09 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1a67 h ARG 23 CO 0.00 1.07 0.14 0.00 -1.51 0.00 0.00 179.97 179.68 1a67 h ALA 24 N -0.21 1.12 -0.08 2.80 0.00 -1.60 0.50 119.26 121.79 1a67 h ALA 24 Ca -0.25 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 1a67 h ALA 24 Cb 1.40 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1a67 h ALA 24 CO -0.06 -0.12 -0.86 1.25 0.00 0.00 0.00 179.25 179.46 1a67 h LEU 25 N 0.00 0.78 -0.16 0.00 7.12 -1.59 -3.19 115.31 118.27 1a67 h LEU 25 Ca 0.00 -0.56 -0.01 0.00 0.13 0.00 0.00 57.88 57.44 1a67 h LEU 25 Cb 0.29 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.18 1a67 h LEU 25 CO 0.00 1.34 0.06 1.56 -0.13 0.00 0.00 178.44 181.28 1a67 h GLN 26 N 0.41 0.24 -0.94 1.25 4.20 -1.01 -2.30 115.11 116.95 1a67 h GLN 26 Ca -0.07 -0.04 0.27 0.00 0.06 0.00 0.00 58.65 58.86 1a67 h GLN 26 Cb 1.48 -0.04 -0.17 0.00 0.30 0.00 0.00 27.48 29.06 1a67 h GLN 26 CO 0.16 0.33 0.14 0.35 -0.67 0.00 0.00 178.83 179.14 1a67 h PHE 27 N 0.10 0.16 -0.11 2.96 3.04 -1.55 0.43 116.94 121.96 1a67 h PHE 27 Ca 0.05 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1a67 h PHE 27 Cb 0.18 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 1a67 h PHE 27 CO -0.01 -0.36 0.05 0.00 -2.02 0.00 0.00 178.31 175.96 1a67 h ALA 28 N 1.91 0.14 0.00 2.41 0.00 -1.41 -1.47 119.26 120.84 1a67 h ALA 28 Ca 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1a67 h ALA 28 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a67 h ALA 28 CO -0.81 -0.28 0.03 0.52 0.00 0.00 0.00 179.25 178.72 1a67 h MET 29 N 0.03 0.00 0.00 0.00 2.86 0.17 -2.57 114.93 115.41 1a67 h MET 29 Ca 0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1a67 h MET 29 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1a67 h MET 29 CO -0.00 0.00 -0.41 0.00 1.06 0.00 0.00 176.91 177.55 1a67 h ALA 30 N 1.91 0.06 -0.96 6.32 0.00 -0.20 -2.30 119.26 124.09 1a67 h ALA 30 Ca 0.00 -0.53 0.28 0.00 0.00 0.00 0.00 54.91 54.65 1a67 h ALA 30 Cb 0.07 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1a67 h ALA 30 CO 0.00 0.28 0.80 0.93 0.00 0.00 0.00 179.25 181.26 1a67 h GLU 31 N -1.00 0.00 0.18 0.00 4.39 -1.07 0.98 114.58 118.06 1a67 h GLU 31 Ca -0.08 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.30 1a67 h GLU 31 Cb 0.69 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1a67 h GLU 31 CO -0.05 0.00 -1.34 -0.92 -1.16 0.00 0.00 179.01 175.54 1a67 h TYR 32 N 0.00 0.97 -0.73 4.33 5.03 -1.56 -3.18 116.97 121.84 1a67 h TYR 32 Ca 0.45 -0.66 0.20 0.00 2.58 0.00 0.00 58.73 61.31 1a67 h TYR 32 Cb 2.04 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 40.23 1a67 h TYR 32 CO 0.00 1.50 0.52 -2.95 -1.32 0.00 0.00 178.16 175.90 1a67 h ASN 33 N 0.21 0.05 0.60 -2.11 7.08 0.16 0.18 115.58 121.76 1a67 h ASN 33 Ca -0.21 0.00 -0.28 0.00 -3.08 0.00 0.00 56.30 52.73 1a67 h ASN 33 Cb 2.02 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 38.26 1a67 h ASN 33 CO 0.25 0.02 -1.28 0.08 -2.08 0.00 0.00 177.43 174.42 1a67 h ARG 34 N 0.06 0.28 0.00 4.14 0.11 -1.51 -3.20 114.38 114.25 1a67 h ARG 34 Ca 0.35 -0.48 0.00 0.00 0.10 0.00 0.00 59.98 59.95 1a67 h ARG 34 Cb 1.31 0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.57 1a67 h ARG 34 CO -0.02 1.22 0.00 0.00 0.10 0.00 0.00 179.97 181.27 1a67 n ALA 35 N -2.56 2.17 1.55 0.08 0.00 0.07 -2.86 120.51 118.95 1a67 n ALA 35 Ca -0.10 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1a67 n ALA 35 Cb 1.03 -1.45 0.54 0.00 0.00 0.00 0.00 19.45 19.57 1a67 n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a67 n SER 36 N -2.09 1.12 0.00 0.00 3.41 0.42 -4.61 113.62 111.88 1a67 n SER 36 Ca 0.05 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 1a67 n SER 36 Cb 0.37 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1a67 n SER 36 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1a67 n ASN 37 N -0.08 0.00 -3.22 4.04 2.04 -1.14 -4.13 115.26 112.76 1a67 n ASN 37 Ca 0.18 0.00 -0.09 0.00 -0.44 0.00 0.00 54.58 54.23 1a67 n ASN 37 Cb 0.27 0.00 0.09 0.00 -2.53 0.00 0.00 39.78 37.61 1a67 n ASN 37 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1a67 n ASP 38 N -3.65 -2.27 -1.30 0.53 5.75 -1.26 -4.94 116.55 109.42 1a67 n ASP 38 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 1a67 n ASP 38 Cb 0.00 -0.41 0.11 0.00 -1.03 0.00 0.00 41.12 39.79 1a67 n ASP 38 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1a67 n LYS 39 N -1.72 1.42 0.00 0.11 0.00 -1.26 -4.97 118.16 111.73 1a67 n LYS 39 Ca 0.04 -3.06 0.00 0.00 -0.00 0.00 0.00 58.31 55.29 1a67 n LYS 39 Cb 0.18 -1.22 0.00 0.00 -0.00 0.00 0.00 35.03 33.99 1a67 n LYS 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1a67 n TYR 40 N -0.52 0.00 0.00 5.58 4.01 -1.25 -3.11 117.16 121.87 1a67 n TYR 40 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1a67 n TYR 40 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 1a67 n TYR 40 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1a67 n SER 41 N 0.00 0.00 -4.50 7.72 7.64 0.11 -4.91 113.62 119.68 1a67 n SER 41 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1a67 n SER 41 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1a67 n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a67 s SER 42 N -2.72 4.15 -0.11 6.43 0.01 -1.26 -1.49 113.70 118.72 1a67 s SER 42 Ca 0.00 -0.21 -0.33 0.00 1.31 0.00 0.00 55.95 56.72 1a67 s SER 42 Cb 0.00 -0.88 0.14 0.00 0.21 0.00 0.00 66.02 65.49 1a67 s SER 42 CO 0.00 0.32 1.34 -0.13 0.41 0.00 0.00 173.24 175.18 1a67 s ARG 43 N -0.98 0.21 0.41 12.44 0.52 -0.03 -3.49 118.95 128.03 1a67 s ARG 43 Ca 0.13 -0.11 0.07 0.00 -0.52 0.00 0.00 55.73 55.31 1a67 s ARG 43 Cb -0.11 0.08 -0.05 0.00 0.52 0.00 0.00 34.95 35.39 1a67 s ARG 43 CO 0.03 -0.09 0.18 0.54 0.02 0.00 0.00 175.30 175.97 1a67 s VAL 44 N -2.24 2.36 0.00 3.52 0.11 -1.26 -0.72 120.40 122.18 1a67 s VAL 44 Ca 0.13 -1.69 -0.01 0.00 -2.93 0.00 0.00 61.98 57.49 1a67 s VAL 44 Cb 0.04 -2.99 -0.00 0.00 -1.53 0.00 0.00 36.38 31.90 1a67 s VAL 44 CO -0.05 -0.01 -0.01 0.52 -3.33 0.00 0.00 175.10 172.22 1a67 n VAL 45 N -1.24 0.20 -3.61 2.04 0.31 -0.77 -4.75 118.33 110.51 1a67 n VAL 45 Ca -0.01 0.16 -0.07 0.00 -0.01 0.00 0.00 64.34 64.41 1a67 n VAL 45 Cb 0.64 -1.22 0.02 0.00 -0.91 0.00 0.00 33.84 32.37 1a67 n VAL 45 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1a67 n ARG 46 N -2.69 0.81 -3.73 5.55 1.74 -1.25 -5.05 116.66 112.04 1a67 n ARG 46 Ca -0.01 -1.67 -0.34 0.00 -0.77 0.00 0.00 57.85 55.06 1a67 n ARG 46 Cb 0.02 2.03 -0.05 0.00 -1.02 0.00 0.00 32.46 33.44 1a67 n ARG 46 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a67 s VAL 47 N -2.37 5.27 -0.02 1.55 1.01 -1.26 -2.68 120.40 121.89 1a67 s VAL 47 Ca 0.12 0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.40 1a67 s VAL 47 Cb -0.03 -3.58 -0.23 0.00 0.00 0.00 0.00 36.38 32.53 1a67 s VAL 47 CO 0.09 0.34 0.76 0.40 0.00 0.00 0.00 175.10 176.69 1a67 h ILE 48 N 2.96 1.00 0.00 2.22 1.08 -1.34 -3.48 117.51 119.95 1a67 h ILE 48 Ca -0.50 -2.81 0.00 0.00 -0.39 0.00 0.00 64.86 61.16 1a67 h ILE 48 Cb 1.19 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 37.46 1a67 h ILE 48 CO 0.67 0.61 0.00 -0.24 -0.69 0.00 0.00 178.15 178.49 1a67 n SER 49 N -3.14 0.00 -3.63 1.72 2.88 -1.26 -4.98 113.62 105.21 1a67 n SER 49 Ca -0.15 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.23 1a67 n SER 49 Cb 1.03 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.35 1a67 n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a67 s ALA 50 N -2.00 -0.23 0.21 -1.46 0.00 -1.26 -3.34 121.76 113.67 1a67 s ALA 50 Ca 0.00 0.54 0.09 0.00 0.00 0.00 0.00 51.96 52.58 1a67 s ALA 50 Cb 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1a67 s ALA 50 CO 0.00 -0.73 -0.16 0.15 0.00 0.00 0.00 175.76 175.02 1a67 s LYS 51 N 2.32 1.37 -0.02 0.00 -0.14 -0.74 -4.14 119.74 118.40 1a67 s LYS 51 Ca 0.03 -1.57 0.06 0.00 -1.36 0.00 0.00 55.97 53.13 1a67 s LYS 51 Cb -0.13 -1.29 -0.01 0.00 -1.68 0.00 0.00 37.83 34.72 1a67 s LYS 51 CO -0.08 0.23 -0.20 -0.98 -0.76 0.00 0.00 175.35 173.57 1a67 s ARG 52 N -3.40 1.72 0.42 1.68 1.70 -0.61 -0.61 118.95 119.86 1a67 s ARG 52 Ca 0.22 -0.72 0.08 0.00 -0.47 0.00 0.00 55.73 54.84 1a67 s ARG 52 Cb -0.03 -1.62 -0.02 0.00 -0.57 0.00 0.00 34.95 32.71 1a67 s ARG 52 CO 0.08 0.40 0.35 -0.65 -1.08 0.00 0.00 175.30 174.41 1a67 s GLN 53 N -0.38 2.47 -0.08 3.89 -0.21 -0.13 -2.76 119.66 122.47 1a67 s GLN 53 Ca 0.05 -1.61 0.01 0.00 0.02 0.00 0.00 55.36 53.83 1a67 s GLN 53 Cb -0.09 -2.30 0.02 0.00 1.00 0.00 0.00 33.01 31.64 1a67 s GLN 53 CO -0.00 -0.21 -0.10 -1.17 -2.12 0.00 0.00 175.29 171.69 1a67 s LEU 54 N -4.11 1.45 -0.44 2.90 1.98 -1.26 -1.12 118.68 118.08 1a67 s LEU 54 Ca 0.46 -0.27 0.03 0.00 -2.89 0.00 0.00 54.13 51.46 1a67 s LEU 54 Cb -0.02 -0.77 0.23 0.00 0.66 0.00 0.00 46.19 46.29 1a67 s LEU 54 CO 0.27 -0.03 0.96 1.33 -1.89 0.00 0.00 176.35 176.99 1a67 n VAL 55 N 4.18 0.00 0.00 1.68 0.24 -1.26 -4.65 118.33 118.52 1a67 n VAL 55 Ca -0.20 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.05 1a67 n VAL 55 Cb 0.51 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 1a67 n VAL 55 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1a67 n SER 56 N 2.01 0.00 0.00 -1.34 2.88 -1.26 -4.86 113.62 111.05 1a67 n SER 56 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1a67 n SER 56 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1a67 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a67 n GLY 57 N 0.00 4.47 3.61 0.46 0.00 -1.26 -4.68 105.19 107.79 1a67 n GLY 57 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1a67 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a67 s ILE 58 N -0.12 3.26 0.04 -0.61 1.01 -0.65 -4.34 121.20 119.79 1a67 s ILE 58 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 58.68 1a67 s ILE 58 Cb 0.00 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1a67 s ILE 58 CO 0.00 -0.35 -0.04 -0.75 0.00 0.00 0.00 174.94 173.80 1a67 s LYS 59 N -3.56 0.50 -0.27 2.79 2.20 -0.27 -0.85 119.74 120.28 1a67 s LYS 59 Ca 0.30 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1a67 s LYS 59 Cb -0.06 0.04 0.08 0.00 -1.51 0.00 0.00 37.83 36.37 1a67 s LYS 59 CO 0.19 -0.05 0.03 0.71 -0.36 0.00 0.00 175.35 175.87 1a67 s TYR 60 N -2.45 2.15 -0.23 4.03 1.51 -0.39 -0.95 117.35 121.02 1a67 s TYR 60 Ca -0.05 -1.81 -0.17 0.00 -1.01 0.00 0.00 57.07 54.03 1a67 s TYR 60 Cb -0.03 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1a67 s TYR 60 CO -0.04 -0.82 0.48 0.96 -1.11 0.00 0.00 175.55 175.03 1a67 s ILE 61 N 1.47 5.12 -0.00 2.71 -4.36 0.22 -1.35 121.20 125.00 1a67 s ILE 61 Ca 0.03 0.85 0.04 0.00 -0.26 0.00 0.00 60.65 61.31 1a67 s ILE 61 Cb -0.18 -3.80 -0.01 0.00 1.25 0.00 0.00 42.46 39.71 1a67 s ILE 61 CO -0.14 0.16 -0.13 -1.48 0.24 0.00 0.00 174.94 173.59 1a67 s LEU 62 N 1.84 2.05 -0.33 0.37 2.34 -0.63 -1.78 118.68 122.53 1a67 s LEU 62 Ca 0.21 -0.26 -0.01 0.00 0.06 0.00 0.00 54.13 54.13 1a67 s LEU 62 Cb -0.15 -0.65 0.07 0.00 -0.56 0.00 0.00 46.19 44.90 1a67 s LEU 62 CO 0.09 0.14 0.05 -1.58 -1.06 0.00 0.00 176.35 173.99 1a67 s GLN 63 N -0.42 2.23 0.21 1.48 0.74 -1.21 -0.60 119.66 122.09 1a67 s GLN 63 Ca 0.04 -1.46 -0.04 0.00 0.05 0.00 0.00 55.36 53.94 1a67 s GLN 63 Cb -0.05 -3.28 -0.05 0.00 1.10 0.00 0.00 33.01 30.72 1a67 s GLN 63 CO -0.00 -0.76 0.45 0.14 -0.55 0.00 0.00 175.29 174.56 1a67 s VAL 64 N 1.19 5.11 -0.45 1.34 -7.23 0.14 -0.84 120.40 119.65 1a67 s VAL 64 Ca -0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.09 1a67 s VAL 64 Cb -0.20 -3.68 0.11 0.00 0.56 0.00 0.00 36.38 33.17 1a67 s VAL 64 CO -0.03 -0.12 0.30 -0.70 -0.31 0.00 0.00 175.10 174.25 1a67 s GLU 65 N -3.07 2.43 -0.09 4.82 2.12 -1.09 -0.79 118.70 123.02 1a67 s GLU 65 Ca 0.42 -1.71 -0.05 0.00 0.36 0.00 0.00 54.97 53.99 1a67 s GLU 65 Cb -0.11 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 1a67 s GLU 65 CO 0.27 -1.12 0.10 0.96 -0.54 0.00 0.00 175.26 174.92 1a67 s ILE 66 N 1.34 5.12 0.42 -3.70 -4.36 0.12 -1.85 121.20 118.29 1a67 s ILE 66 Ca 0.05 -0.00 0.04 0.00 -0.26 0.00 0.00 60.65 60.49 1a67 s ILE 66 Cb -0.25 -3.24 -0.02 0.00 1.25 0.00 0.00 42.46 40.20 1a67 s ILE 66 CO -0.01 0.56 0.16 -0.83 0.24 0.00 0.00 174.94 175.06 1a67 s GLY 67 N -1.15 2.68 0.44 6.27 0.00 0.11 0.14 107.32 115.81 1a67 s GLY 67 Ca 0.17 -1.23 0.08 0.00 0.00 0.00 0.00 44.72 43.73 1a67 s GLY 67 CO 0.06 -1.80 0.60 0.50 0.00 0.00 0.00 173.10 172.47 1a67 s ARG 68 N -3.63 2.75 0.00 2.90 0.52 -1.25 -0.85 118.95 119.39 1a67 s ARG 68 Ca 0.24 -1.30 -0.26 0.00 -0.52 0.00 0.00 55.73 53.88 1a67 s ARG 68 Cb 0.01 -2.74 0.09 0.00 0.52 0.00 0.00 34.95 32.83 1a67 s ARG 68 CO 0.16 -0.36 1.19 -2.37 0.02 0.00 0.00 175.30 173.94 1a67 n THR 69 N -1.91 0.00 -0.60 0.02 5.66 -0.56 -4.13 114.28 112.77 1a67 n THR 69 Ca 0.09 -0.20 -0.14 0.00 -3.05 0.00 0.00 64.05 60.76 1a67 n THR 69 Cb 0.59 0.57 0.05 0.00 -1.55 0.00 0.00 70.33 69.99 1a67 n THR 69 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1a67 n THR 70 N -0.86 2.49 -4.10 1.09 -2.24 -0.72 0.05 114.28 110.00 1a67 n THR 70 Ca 0.03 -1.35 -0.10 0.00 -2.27 0.00 0.00 64.05 60.37 1a67 n THR 70 Cb 0.55 -1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 67.50 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a67 n PRO 72 N 0.59 1.13 -2.02 0.00 -0.04 -1.18 -2.71 135.00 130.76 1a67 n PRO 72 Ca -0.17 -0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 62.89 1a67 n PRO 72 Cb 0.59 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.92 1a67 n PRO 72 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1a67 n LYS 73 N 1.04 -1.81 0.00 0.54 0.00 -1.23 -4.68 118.16 112.02 1a67 n LYS 73 Ca 0.05 0.70 0.00 0.00 0.00 0.00 0.00 58.31 59.07 1a67 n LYS 73 Cb 0.54 -5.17 0.00 0.00 0.00 0.00 0.00 35.03 30.40 1a67 n LYS 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1a67 n SER 74 N -1.31 0.00 0.00 3.14 3.41 -1.26 -5.06 113.62 112.54 1a67 n SER 74 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1a67 n SER 74 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1a67 n SER 74 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a67 n SER 75 N 0.00 0.00 0.00 4.04 3.41 -1.26 -4.97 113.62 114.84 1a67 n SER 75 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a67 n SER 75 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a67 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a67 n GLY 76 N 5.00 2.29 3.88 5.00 0.00 -1.26 -4.25 105.19 115.85 1a67 n GLY 76 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1a67 n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1a67 s ASP 77 N -3.49 4.63 -0.62 1.61 -4.77 -1.26 -5.06 116.67 107.71 1a67 s ASP 77 Ca 0.00 -1.20 0.04 0.00 -3.30 0.00 0.00 52.55 48.09 1a67 s ASP 77 Cb 0.00 0.27 0.34 0.00 -1.09 0.00 0.00 42.92 42.44 1a67 s ASP 77 CO 0.00 -1.01 1.04 0.18 0.70 0.00 0.00 175.17 176.08 1a67 n LEU 78 N -1.69 4.79 0.00 2.11 4.32 -1.26 -4.87 117.00 120.41 1a67 n LEU 78 Ca -0.02 -5.64 0.00 0.00 -0.02 0.00 0.00 56.01 50.34 1a67 n LEU 78 Cb 0.64 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1a67 n LEU 78 CO 0.40 2.32 0.00 0.00 -1.22 0.00 0.00 177.39 178.89 1a67 n GLN 79 N -0.24 0.00 -0.24 3.23 6.02 -1.26 -5.04 117.38 119.85 1a67 n GLN 79 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1a67 n GLN 79 Cb 0.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.65 1a67 n GLN 79 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1a67 n SER 80 N -0.36 0.00 -1.36 1.08 2.88 -1.26 -5.15 113.62 109.45 1a67 n SER 80 Ca 0.00 -1.11 0.18 0.00 -1.33 0.00 0.00 58.87 56.61 1a67 n SER 80 Cb 0.00 -0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a67 s GLU 82 N -2.47 0.47 -0.26 0.00 8.01 -1.26 -5.03 118.70 118.16 1a67 s GLU 82 Ca 0.00 -0.01 -0.02 0.00 0.01 0.00 0.00 54.97 54.95 1a67 s GLU 82 Cb 0.00 0.21 0.09 0.00 -4.31 0.00 0.00 34.13 30.12 1a67 s GLU 82 CO 0.00 -0.10 2.38 1.19 0.01 0.00 0.00 175.26 178.73 1a67 n PHE 83 N 2.02 1.12 -2.20 1.61 3.01 -1.26 -1.76 117.46 120.01 1a67 n PHE 83 Ca -0.18 -1.75 -0.04 0.00 1.01 0.00 0.00 57.45 56.48 1a67 n PHE 83 Cb 0.57 -1.05 0.00 0.00 -0.01 0.00 0.00 39.48 38.98 1a67 n PHE 83 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1a67 n HIS 84 N 0.91 -0.28 -2.02 1.38 -0.00 -1.26 -3.59 115.22 110.36 1a67 n HIS 84 Ca 0.31 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 58.07 1a67 n HIS 84 Cb 0.60 -1.65 0.00 0.00 -0.00 0.00 0.00 29.99 28.94 1a67 n HIS 84 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1a67 n ASP 85 N 1.07 -0.75 0.00 0.26 8.00 -1.26 -4.70 116.55 119.17 1a67 n ASP 85 Ca -0.04 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1a67 n ASP 85 Cb 0.53 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1a67 n ASP 85 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1a67 n GLU 86 N -1.94 0.00 -0.13 -1.24 2.13 -1.24 -5.00 120.64 113.22 1a67 n GLU 86 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1a67 n GLU 86 Cb 0.37 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.17 1a67 n GLU 86 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1a67 n PRO 87 N 0.00 1.57 -0.08 5.31 -0.04 -1.26 -4.25 135.00 136.24 1a67 n PRO 87 Ca 0.00 -0.66 0.15 0.00 -0.04 0.00 0.00 63.50 62.95 1a67 n PRO 87 Cb 0.00 -1.30 0.55 0.00 -0.04 0.00 0.00 33.50 32.71 1a67 n PRO 87 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1a67 h GLU 88 N 1.00 0.29 -0.65 0.54 3.07 -1.93 -1.21 114.58 115.69 1a67 h GLU 88 Ca 0.00 -0.02 -0.46 0.00 -0.50 0.00 0.00 59.36 58.38 1a67 h GLU 88 Cb 0.42 -0.07 -0.33 0.00 -0.84 0.00 0.00 28.75 27.94 1a67 h GLU 88 CO 0.04 0.19 -0.53 -1.33 -1.40 0.00 0.00 179.01 175.98 1a67 n MET 89 N -4.45 3.11 0.00 2.33 2.81 -1.26 -4.92 117.12 114.74 1a67 n MET 89 Ca 0.11 -3.88 0.00 0.00 -1.81 0.00 0.00 57.70 52.12 1a67 n MET 89 Cb 0.48 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a67 n ALA 90 N -0.82 0.00 -0.82 3.04 0.00 -0.46 -5.01 120.51 116.44 1a67 n ALA 90 Ca 0.42 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.68 1a67 n ALA 90 Cb 0.91 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.41 1a67 n ALA 90 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1a67 n LYS 91 N 0.00 1.86 0.00 0.00 2.85 -1.25 -4.42 118.16 117.20 1a67 n LYS 91 Ca 0.00 -1.73 0.00 0.00 -1.05 0.00 0.00 58.31 55.53 1a67 n LYS 91 Cb 0.00 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 32.70 1a67 n LYS 91 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1a67 n TYR 92 N 0.10 -1.46 -3.55 5.58 4.01 -1.26 -4.95 117.16 115.63 1a67 n TYR 92 Ca 0.33 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.92 1a67 n TYR 92 Cb 0.68 0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 39.89 1a67 n TYR 92 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1a67 s THR 93 N 0.00 0.02 0.08 -0.72 -4.23 0.37 -4.89 115.64 106.27 1a67 s THR 93 Ca 0.00 -0.13 0.06 0.00 -1.18 0.00 0.00 61.69 60.44 1a67 s THR 93 Cb 0.00 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 1a67 s THR 93 CO 0.00 -0.07 -0.09 0.28 -0.54 0.00 0.00 174.62 174.20 1a67 s THR 94 N -1.92 3.45 0.14 3.99 -1.32 -1.26 0.10 115.64 118.82 1a67 s THR 94 Ca -0.08 -1.15 -0.14 0.00 -1.21 0.00 0.00 61.69 59.11 1a67 s THR 94 Cb -0.01 -2.59 0.02 0.00 -1.51 0.00 0.00 72.50 68.41 1a67 s THR 94 CO 0.03 0.17 0.37 0.00 -2.21 0.00 0.00 174.62 172.98 1a67 s THR 96 N -3.86 -0.58 0.44 0.00 2.01 0.08 0.24 115.64 113.97 1a67 s THR 96 Ca 0.07 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1a67 s THR 96 Cb 0.02 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1a67 s THR 96 CO -0.08 -0.03 0.62 -0.36 -0.69 0.00 0.00 174.62 174.08 1a67 s PHE 97 N 2.54 3.01 -0.24 4.92 0.08 0.23 -0.80 117.98 127.72 1a67 s PHE 97 Ca 0.06 -0.09 -0.02 0.00 0.12 0.00 0.00 56.93 57.00 1a67 s PHE 97 Cb -0.14 -2.35 0.08 0.00 -0.57 0.00 0.00 43.02 40.03 1a67 s PHE 97 CO -0.14 -0.41 0.06 0.08 -0.10 0.00 0.00 175.22 174.72 1a67 s VAL 98 N -2.46 0.58 0.41 -0.44 1.01 -1.09 -1.61 120.40 116.81 1a67 s VAL 98 Ca 0.51 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1a67 s VAL 98 Cb -0.10 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1a67 s VAL 98 CO 0.35 -0.42 0.74 -0.69 0.00 0.00 0.00 175.10 175.08 1a67 s VAL 99 N 1.80 4.86 0.10 2.92 1.01 -0.46 -1.63 120.40 129.00 1a67 s VAL 99 Ca 0.04 0.39 0.10 0.00 0.00 0.00 0.00 61.98 62.50 1a67 s VAL 99 Cb -0.17 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1a67 s VAL 99 CO -0.17 -0.60 -0.25 -0.47 0.00 0.00 0.00 175.10 173.61 1a67 s TYR 100 N -2.45 2.15 -0.34 5.22 5.04 -0.63 -1.27 117.35 125.07 1a67 s TYR 100 Ca 0.49 -0.39 -0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1a67 s TYR 100 Cb -0.10 -1.21 0.13 0.00 0.35 0.00 0.00 41.96 41.13 1a67 s TYR 100 CO 0.36 0.24 0.22 0.45 -1.34 0.00 0.00 175.55 175.48 1a67 s SER 101 N -1.75 2.73 -0.33 4.32 0.15 -0.03 -0.91 113.70 117.89 1a67 s SER 101 Ca 0.11 -1.83 -0.28 0.00 0.70 0.00 0.00 55.95 54.65 1a67 s SER 101 Cb -0.10 -0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.01 1a67 s SER 101 CO 0.04 -0.33 1.73 -0.63 1.20 0.00 0.00 173.24 175.25 1a67 s ILE 102 N 1.41 3.55 -0.04 6.45 1.01 0.98 -1.63 121.20 132.92 1a67 s ILE 102 Ca 0.16 0.56 0.13 0.00 0.00 0.00 0.00 60.65 61.49 1a67 s ILE 102 Cb -0.20 -3.72 -0.16 0.00 0.01 0.00 0.00 42.46 38.39 1a67 s ILE 102 CO -0.09 -0.45 0.97 1.55 0.00 0.00 0.00 174.94 176.92 1a67 h PRO 103 N 12.40 0.00 0.00 2.79 0.13 -1.84 -1.47 132.00 144.01 1a67 h PRO 103 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1a67 h PRO 103 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1a67 h PRO 103 CO 1.03 0.56 0.00 -2.67 -0.23 0.00 0.00 178.00 176.70 1a67 n TRP 104 N -3.11 0.00 0.00 1.56 2.14 -1.26 -4.11 117.44 112.67 1a67 n TRP 104 Ca -0.08 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.49 1a67 n TRP 104 Cb 0.92 -0.18 0.00 0.00 -0.81 0.00 0.00 31.31 31.24 1a67 n TRP 104 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 1a67 n LEU 105 N -1.18 0.08 0.00 5.67 -0.00 -1.25 -5.10 117.00 115.22 1a67 n LEU 105 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1a67 n LEU 105 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 1a67 n LEU 105 CO 0.15 -0.26 0.00 -0.46 -0.00 0.00 0.00 177.39 176.83 1a67 n ASN 106 N -2.66 0.00 -3.87 1.96 6.94 -0.64 -5.13 115.26 111.85 1a67 n ASN 106 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.47 1a67 n ASN 106 Cb 0.21 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.59 1a67 n ASN 106 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1a67 s GLN 107 N -0.41 1.56 0.24 -3.83 0.74 -0.68 -4.99 119.66 112.28 1a67 s GLN 107 Ca 0.00 -1.05 0.03 0.00 0.05 0.00 0.00 55.36 54.39 1a67 s GLN 107 Cb 0.00 0.53 -0.05 0.00 1.10 0.00 0.00 33.01 34.58 1a67 s GLN 107 CO 0.00 -0.67 0.01 -1.50 -0.55 0.00 0.00 175.29 172.58 1a67 s ILE 108 N -3.94 0.99 0.27 -2.34 2.07 -1.26 -0.01 121.20 116.98 1a67 s ILE 108 Ca 0.15 -2.03 -0.07 0.00 -1.41 0.00 0.00 60.65 57.29 1a67 s ILE 108 Cb -0.02 -2.38 0.03 0.00 0.13 0.00 0.00 42.46 40.21 1a67 s ILE 108 CO 0.04 -0.29 0.49 1.17 -1.91 0.00 0.00 174.94 174.44 1a67 n LYS 109 N -0.43 0.70 -3.41 3.50 4.81 -0.08 -4.93 118.16 118.32 1a67 n LYS 109 Ca -0.05 -1.71 -0.26 0.00 -0.87 0.00 0.00 58.31 55.43 1a67 n LYS 109 Cb 0.64 1.94 -0.10 0.00 0.02 0.00 0.00 35.03 37.53 1a67 n LYS 109 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1a67 s LEU 110 N 0.00 0.79 0.06 3.14 1.98 -1.26 -1.60 118.68 121.78 1a67 s LEU 110 Ca 0.14 -2.23 -0.12 0.00 -2.89 0.00 0.00 54.13 49.03 1a67 s LEU 110 Cb -0.03 -0.15 -0.03 0.00 0.66 0.00 0.00 46.19 46.64 1a67 s LEU 110 CO 0.11 -0.27 1.21 0.25 -1.89 0.00 0.00 176.35 175.76 1a67 h LEU 111 N 6.70 -0.85 -7.75 -0.68 5.85 -1.63 -3.46 115.31 113.49 1a67 h LEU 111 Ca 0.10 0.13 0.30 0.00 0.84 0.00 0.00 57.88 59.25 1a67 h LEU 111 Cb 0.98 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 42.31 1a67 h LEU 111 CO 0.26 -0.09 0.82 -1.83 -0.34 0.00 0.00 178.44 177.26 1a67 s GLU 112 N -3.98 0.57 -0.17 1.25 -1.05 -1.26 -5.03 118.70 109.03 1a67 s GLU 112 Ca -0.05 -0.35 -0.00 0.00 -0.15 0.00 0.00 54.97 54.42 1a67 s GLU 112 Cb 0.04 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 1a67 s GLU 112 CO 0.24 -0.26 -0.14 -1.54 0.95 0.00 0.00 175.26 174.51 1a67 s SER 113 N -3.50 3.68 -1.15 0.83 1.04 -1.26 -2.69 113.70 110.65 1a67 s SER 113 Ca 0.24 -0.49 -0.07 0.00 0.48 0.00 0.00 55.95 56.11 1a67 s SER 113 Cb 0.01 -1.58 0.25 0.00 0.10 0.00 0.00 66.02 64.80 1a67 s SER 113 CO -0.00 0.05 1.55 0.29 0.98 0.00 0.00 173.24 176.10 1a67 n LYS 114 N 4.32 4.03 -4.10 4.02 4.76 0.02 -4.88 118.16 126.33 1a67 n LYS 114 Ca -0.19 -4.19 -0.28 0.00 -2.87 0.00 0.00 58.31 50.78 1a67 n LYS 114 Cb 0.51 -2.68 -0.07 0.00 -1.84 0.00 0.00 35.03 30.96 1a67 n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03