#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 0.64 -0.07 4.61 0.00 -1.26 -5.11 121.76 120.57 1a67 s ALA 10 Ca 0.00 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 50.64 1a67 s ALA 10 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1a67 s ALA 10 CO 0.00 -0.19 0.92 -1.25 0.00 0.00 0.00 175.76 175.24 1a67 s PRO 11 N -2.87 4.46 0.29 0.00 0.04 -1.26 -4.74 135.00 130.92 1a67 s PRO 11 Ca 0.01 1.26 0.09 0.00 0.04 0.00 0.00 61.00 62.40 1a67 s PRO 11 Cb -0.01 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1a67 s PRO 11 CO -0.04 -0.15 0.03 0.14 0.04 0.00 0.00 177.00 177.02 1a67 s VAL 12 N 1.44 3.25 0.78 -0.36 -7.23 -0.93 -4.92 120.40 112.44 1a67 s VAL 12 Ca 0.46 -1.87 -0.11 0.00 -1.81 0.00 0.00 61.98 58.66 1a67 s VAL 12 Cb -0.19 -2.87 0.06 0.00 0.56 0.00 0.00 36.38 33.94 1a67 s VAL 12 CO 0.21 -0.31 1.08 -2.16 -0.31 0.00 0.00 175.10 173.62 1a67 s PRO 13 N -3.72 2.21 -0.05 4.82 0.04 -1.26 -1.17 135.00 135.86 1a67 s PRO 13 Ca 0.33 0.87 0.01 0.00 0.04 0.00 0.00 61.00 62.26 1a67 s PRO 13 Cb -0.05 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1a67 s PRO 13 CO 0.21 -1.59 -0.06 0.08 0.04 0.00 0.00 177.00 175.68 1a67 s VAL 14 N -3.03 3.79 0.06 -0.36 1.01 -1.25 -4.69 120.40 115.93 1a67 s VAL 14 Ca 0.61 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 1a67 s VAL 14 Cb -0.16 -2.58 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 1a67 s VAL 14 CO 0.55 0.54 0.56 1.51 0.00 0.00 0.00 175.10 178.27 1a67 s ASP 15 N -0.99 7.04 -0.07 3.32 1.47 -1.26 -4.95 116.67 121.24 1a67 s ASP 15 Ca 0.14 1.24 0.03 0.00 1.18 0.00 0.00 52.55 55.14 1a67 s ASP 15 Cb -0.11 -2.36 0.21 0.00 -0.34 0.00 0.00 42.92 40.32 1a67 s ASP 15 CO 0.03 0.26 0.87 -1.84 0.68 0.00 0.00 175.17 175.16 1a67 n GLU 16 N 1.85 1.94 -0.11 2.11 -0.00 -1.26 -3.47 120.64 121.70 1a67 n GLU 16 Ca -0.10 -0.81 0.04 0.00 -0.00 0.00 0.00 57.16 56.29 1a67 n GLU 16 Cb 0.51 -1.66 0.10 0.00 -0.00 0.00 0.00 31.44 30.39 1a67 n GLU 16 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1a67 n ASN 17 N 0.15 2.55 -4.84 -1.84 4.13 -1.26 -5.00 115.26 109.14 1a67 n ASN 17 Ca 0.08 -2.30 -0.38 0.00 1.68 0.00 0.00 54.58 53.66 1a67 n ASN 17 Cb 0.53 -0.20 -0.06 0.00 -1.54 0.00 0.00 39.78 38.51 1a67 n ASN 17 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1a67 s ASP 18 N -1.42 6.74 -0.10 6.41 2.15 -1.23 -5.01 116.67 124.21 1a67 s ASP 18 Ca 0.17 0.88 -0.21 0.00 0.43 0.00 0.00 52.55 53.82 1a67 s ASP 18 Cb 0.12 -2.22 -0.18 0.00 -0.30 0.00 0.00 42.92 40.34 1a67 s ASP 18 CO 0.06 0.34 0.67 -0.08 -0.17 0.00 0.00 175.17 175.99 1a67 h GLU 19 N 4.77 -0.05 -0.63 4.34 4.57 -1.94 -3.17 114.58 122.46 1a67 h GLU 19 Ca -0.52 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 57.85 1a67 h GLU 19 Cb 1.22 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 1a67 h GLU 19 CO 0.61 0.56 0.78 0.78 -1.18 0.00 0.00 179.01 180.56 1a67 h GLY 20 N -0.93 0.00 0.79 1.92 0.00 -2.00 0.48 103.07 103.34 1a67 h GLY 20 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 1a67 h GLY 20 CO 0.01 0.00 -0.54 -2.00 0.00 0.00 0.00 176.54 174.01 1a67 h LEU 21 N 0.00 0.54 -0.48 3.11 6.46 -1.94 -2.93 115.31 120.07 1a67 h LEU 21 Ca 0.30 -0.71 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 1a67 h LEU 21 Cb 1.86 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.63 1a67 h LEU 21 CO -0.00 1.17 0.00 1.67 -0.62 0.00 0.00 178.44 180.66 1a67 n GLN 22 N -4.25 0.07 -0.08 1.25 7.27 0.17 -2.21 117.38 119.60 1a67 n GLN 22 Ca -0.09 0.45 -0.13 0.00 0.07 0.00 0.00 57.00 57.30 1a67 n GLN 22 Cb 0.63 -1.68 -0.08 0.00 2.41 0.00 0.00 30.24 31.51 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 0.00 0.00 3.69 2.43 -1.29 -3.30 114.38 115.90 1a67 h ARG 23 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1a67 h ARG 23 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1a67 h ARG 23 CO 0.00 0.67 0.00 0.00 -1.51 0.00 0.00 179.97 179.13 1a67 h ALA 24 N -0.52 1.00 -0.47 2.80 0.00 -1.34 0.29 119.26 121.03 1a67 h ALA 24 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1a67 h ALA 24 Cb 0.88 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1a67 h ALA 24 CO -0.08 0.00 -0.08 1.25 0.00 0.00 0.00 179.25 180.34 1a67 h LEU 25 N 0.00 0.81 -0.10 0.00 7.12 -1.52 -2.73 115.31 118.89 1a67 h LEU 25 Ca 0.00 -0.24 0.01 0.00 0.13 0.00 0.00 57.88 57.79 1a67 h LEU 25 Cb 0.01 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 39.91 1a67 h LEU 25 CO 0.00 0.93 0.02 1.56 -0.13 0.00 0.00 178.44 180.82 1a67 h GLN 26 N 0.75 0.06 -0.91 1.25 4.20 -1.03 -1.09 115.11 118.34 1a67 h GLN 26 Ca 0.13 -0.00 0.26 0.00 0.06 0.00 0.00 58.65 59.10 1a67 h GLN 26 Cb 0.57 -0.01 -0.15 0.00 0.30 0.00 0.00 27.48 28.19 1a67 h GLN 26 CO 0.03 0.04 0.26 0.35 -0.67 0.00 0.00 178.83 178.85 1a67 h PHE 27 N 0.06 0.39 -0.59 2.96 3.04 -1.51 0.64 116.94 121.92 1a67 h PHE 27 Ca 0.04 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 61.97 1a67 h PHE 27 Cb 0.03 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 1a67 h PHE 27 CO -0.11 -0.25 0.08 0.00 -2.02 0.00 0.00 178.31 176.00 1a67 h ALA 28 N 1.83 0.79 -0.89 2.41 0.00 -1.10 -2.84 119.26 119.46 1a67 h ALA 28 Ca 0.59 -0.27 0.21 0.00 0.00 0.00 0.00 54.91 55.45 1a67 h ALA 28 Cb 1.25 -0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1a67 h ALA 28 CO -0.69 0.56 0.39 0.52 0.00 0.00 0.00 179.25 180.04 1a67 h MET 29 N 0.90 0.41 -0.01 0.00 2.86 0.11 -0.99 114.93 118.21 1a67 h MET 29 Ca 0.18 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1a67 h MET 29 Cb 0.45 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 1a67 h MET 29 CO 0.02 0.27 -0.31 0.00 1.06 0.00 0.00 176.91 177.95 1a67 h ALA 30 N 1.69 -0.43 -1.10 6.32 0.00 -1.28 0.17 119.26 124.64 1a67 h ALA 30 Ca 0.55 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.75 1a67 h ALA 30 Cb 1.02 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 19.27 1a67 h ALA 30 CO -0.51 -0.81 0.73 0.93 0.00 0.00 0.00 179.25 179.58 1a67 h GLU 31 N -0.45 0.26 -0.38 0.00 4.39 -1.27 0.84 114.58 117.97 1a67 h GLU 31 Ca 0.06 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 1a67 h GLU 31 Cb 0.54 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1a67 h GLU 31 CO -0.26 0.17 -0.39 -0.92 -1.16 0.00 0.00 179.01 176.45 1a67 h TYR 32 N 0.27 1.12 -0.76 4.33 3.20 -0.51 -3.04 116.97 121.58 1a67 h TYR 32 Ca 0.61 -0.34 0.17 0.00 3.14 0.00 0.00 58.73 62.31 1a67 h TYR 32 Cb 1.79 -0.23 -0.11 0.00 1.54 0.00 0.00 36.73 39.71 1a67 h TYR 32 CO -0.00 1.17 0.18 -0.91 -1.64 0.00 0.00 178.16 176.96 1a67 h ASN 33 N 0.75 0.01 0.76 -2.11 -0.26 0.22 0.28 115.58 115.23 1a67 h ASN 33 Ca 0.06 0.15 -0.07 0.00 -0.56 0.00 0.00 56.30 55.88 1a67 h ASN 33 Cb 0.99 0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 38.44 1a67 h ASN 33 CO 0.10 -0.05 -0.35 0.08 -1.06 0.00 0.00 177.43 176.14 1a67 h ARG 34 N 0.26 0.00 0.00 0.81 0.11 -1.44 -2.99 114.38 111.13 1a67 h ARG 34 Ca 0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.51 1a67 h ARG 34 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 1a67 h ARG 34 CO -0.53 0.35 0.15 0.00 0.10 0.00 0.00 179.97 180.04 1a67 n ALA 35 N -2.31 0.81 1.51 0.08 0.00 0.98 -1.17 120.51 120.42 1a67 n ALA 35 Ca -0.01 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.67 1a67 n ALA 35 Cb 0.47 -1.01 0.58 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.07 0.00 -0.32 0.00 3.41 -1.13 -2.86 113.62 110.65 1a67 n SER 36 Ca -0.01 -0.91 0.11 0.00 -0.26 0.00 0.00 58.87 57.80 1a67 n SER 36 Cb 0.18 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.90 0.97 -2.84 4.04 0.23 -0.32 -4.87 115.26 111.57 1a67 n ASN 37 Ca 0.15 -1.52 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 1a67 n ASN 37 Cb 0.07 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 1a67 n ASN 37 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1a67 n ASP 38 N -0.17 -1.00 -1.50 0.53 5.75 -1.13 -4.96 116.55 114.07 1a67 n ASP 38 Ca 0.17 -0.29 -0.10 0.00 -0.01 0.00 0.00 54.79 54.56 1a67 n ASP 38 Cb 0.23 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.29 2.55 -0.48 0.11 0.00 -1.26 -4.94 118.16 112.85 1a67 n LYS 39 Ca 0.00 -3.70 0.00 0.00 -0.00 0.00 0.00 58.31 54.61 1a67 n LYS 39 Cb 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 35.03 33.15 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 -0.80 -0.36 -4.50 5.58 4.01 -1.25 -4.28 117.16 115.56 1a67 n TYR 40 Ca 0.30 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.71 1a67 n TYR 40 Cb 0.86 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.79 1a67 n TYR 40 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1a67 s SER 41 N 0.74 4.82 0.16 7.72 1.04 0.19 -3.89 113.70 124.47 1a67 s SER 41 Ca 0.00 -0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.46 1a67 s SER 41 Cb 0.00 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.85 1a67 s SER 41 CO 0.00 0.34 0.17 -0.44 0.98 0.00 0.00 173.24 174.29 1a67 s SER 42 N -1.05 5.75 -0.24 7.02 0.01 -1.26 -0.18 113.70 123.74 1a67 s SER 42 Ca 0.14 -0.04 -0.27 0.00 1.31 0.00 0.00 55.95 57.10 1a67 s SER 42 Cb -0.11 -1.57 0.12 0.00 0.21 0.00 0.00 66.02 64.66 1a67 s SER 42 CO 0.04 0.07 0.99 0.00 0.41 0.00 0.00 173.24 174.75 1a67 s ARG 43 N -3.11 0.57 0.41 12.44 1.70 0.20 -4.86 118.95 126.30 1a67 s ARG 43 Ca 0.32 0.49 -0.12 0.00 -0.47 0.00 0.00 55.73 55.95 1a67 s ARG 43 Cb -0.10 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 34.48 1a67 s ARG 43 CO 0.25 -0.11 0.80 0.54 -1.08 0.00 0.00 175.30 175.70 1a67 s VAL 44 N -0.17 4.72 -0.12 4.99 0.11 -1.26 -1.26 120.40 127.42 1a67 s VAL 44 Ca 0.01 0.78 -0.11 0.00 -2.93 0.00 0.00 61.98 59.73 1a67 s VAL 44 Cb -0.04 -3.71 -0.05 0.00 -1.53 0.00 0.00 36.38 31.05 1a67 s VAL 44 CO -0.03 -0.49 -0.24 0.52 -3.33 0.00 0.00 175.10 171.53 1a67 n VAL 45 N -1.18 1.30 0.00 2.04 0.31 -0.69 -4.85 118.33 115.26 1a67 n VAL 45 Ca 0.03 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1a67 n VAL 45 Cb 0.54 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1a67 n VAL 45 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1a67 n ARG 46 N -4.06 0.00 -1.40 5.55 3.00 -1.25 -5.06 116.66 113.45 1a67 n ARG 46 Ca -0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.27 1a67 n ARG 46 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.93 1a67 n ARG 46 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1a67 n VAL 47 N 0.00 1.38 0.82 5.15 3.14 -1.26 -4.01 118.33 123.55 1a67 n VAL 47 Ca 0.00 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 60.99 1a67 n VAL 47 Cb 0.00 -0.36 -0.01 0.00 -1.06 0.00 0.00 33.84 32.41 1a67 n VAL 47 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1a67 n ILE 48 N -1.06 0.04 0.00 1.55 5.41 -0.21 -4.90 119.36 120.19 1a67 n ILE 48 Ca 0.11 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1a67 n ILE 48 Cb 0.41 0.57 0.00 0.00 -0.71 0.00 0.00 39.64 39.91 1a67 n ILE 48 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1a67 n SER 49 N -1.67 0.00 -3.75 4.38 2.88 -1.26 -4.95 113.62 109.25 1a67 n SER 49 Ca 0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1a67 n SER 49 Cb 0.37 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.73 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 -1.94 -0.86 0.11 -1.46 0.00 -1.26 -3.58 121.76 112.76 1a67 s ALA 50 Ca 0.00 0.98 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1a67 s ALA 50 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1a67 s ALA 50 CO 0.00 -0.17 0.02 0.15 0.00 0.00 0.00 175.76 175.76 1a67 s LYS 51 N 0.17 0.84 -0.00 0.00 1.02 -0.57 -3.94 119.74 117.26 1a67 s LYS 51 Ca -0.00 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 54.62 1a67 s LYS 51 Cb -0.02 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1a67 s LYS 51 CO 0.01 -0.18 -0.00 -0.98 -0.92 0.00 0.00 175.35 173.27 1a67 s ARG 52 N -3.98 0.05 0.45 1.68 1.70 -0.32 -0.52 118.95 118.00 1a67 s ARG 52 Ca 0.18 -0.00 0.07 0.00 -0.47 0.00 0.00 55.73 55.51 1a67 s ARG 52 Cb 0.07 -0.08 -0.01 0.00 -0.57 0.00 0.00 34.95 34.36 1a67 s ARG 52 CO -0.02 -0.01 0.36 -0.65 -1.08 0.00 0.00 175.30 173.90 1a67 s GLN 53 N 0.12 2.41 -0.06 3.89 -0.21 -0.09 -2.18 119.66 123.53 1a67 s GLN 53 Ca -0.01 -1.69 0.03 0.00 0.02 0.00 0.00 55.36 53.71 1a67 s GLN 53 Cb -0.02 -2.26 0.01 0.00 1.00 0.00 0.00 33.01 31.74 1a67 s GLN 53 CO -0.00 -0.28 -0.14 -1.17 -2.12 0.00 0.00 175.29 171.58 1a67 s LEU 54 N -4.13 1.74 -0.48 2.90 1.98 -1.26 -1.59 118.68 117.83 1a67 s LEU 54 Ca 0.44 -0.33 0.06 0.00 -2.89 0.00 0.00 54.13 51.42 1a67 s LEU 54 Cb -0.02 -0.89 0.25 0.00 0.66 0.00 0.00 46.19 46.19 1a67 s LEU 54 CO 0.26 0.07 0.92 1.33 -1.89 0.00 0.00 176.35 177.04 1a67 n VAL 55 N 3.65 0.00 0.00 1.68 0.24 -1.26 -4.88 118.33 117.76 1a67 n VAL 55 Ca -0.22 -1.48 0.00 0.00 -2.04 0.00 0.00 64.34 60.60 1a67 n VAL 55 Cb 0.52 1.49 0.00 0.00 -1.47 0.00 0.00 33.84 34.38 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 1.50 0.00 0.00 -1.34 2.88 -1.26 -4.84 113.62 110.56 1a67 n SER 56 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1a67 n SER 56 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 5.75 3.60 0.46 0.00 -1.26 -5.06 105.19 108.68 1a67 n GLY 57 Ca 0.00 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 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 1.33 3.50 -0.18 -0.61 1.01 -0.73 -4.40 121.20 121.11 1a67 s ILE 58 Ca 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 60.65 59.36 1a67 s ILE 58 Cb 0.00 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 39.85 1a67 s ILE 58 CO 0.00 0.06 -0.03 -0.75 0.00 0.00 0.00 174.94 174.23 1a67 s LYS 59 N -2.37 1.24 0.60 2.79 2.20 -0.62 -1.26 119.74 122.31 1a67 s LYS 59 Ca 0.23 -0.55 -0.10 0.00 -0.36 0.00 0.00 55.97 55.19 1a67 s LYS 59 Cb -0.11 -2.09 -0.04 0.00 -1.51 0.00 0.00 37.83 34.08 1a67 s LYS 59 CO 0.15 -0.51 0.99 0.71 -0.36 0.00 0.00 175.35 176.33 1a67 s TYR 60 N 1.66 3.61 -0.19 4.03 2.02 0.66 -0.92 117.35 128.23 1a67 s TYR 60 Ca -0.01 1.20 -0.04 0.00 -0.37 0.00 0.00 57.07 57.85 1a67 s TYR 60 Cb -0.16 -2.65 0.09 0.00 -0.40 0.00 0.00 41.96 38.84 1a67 s TYR 60 CO -0.07 -0.63 0.26 0.96 -1.57 0.00 0.00 175.55 174.50 1a67 s ILE 61 N -3.11 -0.40 0.01 2.71 -4.36 0.32 -1.02 121.20 115.35 1a67 s ILE 61 Ca 0.54 -0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.99 1a67 s ILE 61 Cb -0.11 -0.64 -0.02 0.00 1.25 0.00 0.00 42.46 42.94 1a67 s ILE 61 CO 0.52 -0.10 -0.21 -1.48 0.24 0.00 0.00 174.94 173.91 1a67 s LEU 62 N 2.39 2.09 -0.47 0.37 2.34 -0.46 -1.51 118.68 123.43 1a67 s LEU 62 Ca 0.06 -0.43 -0.06 0.00 0.06 0.00 0.00 54.13 53.76 1a67 s LEU 62 Cb -0.15 -1.05 0.12 0.00 -0.56 0.00 0.00 46.19 44.56 1a67 s LEU 62 CO -0.12 0.22 0.31 -1.10 -1.06 0.00 0.00 176.35 174.61 1a67 s GLN 63 N -0.75 2.32 0.17 1.48 -0.21 -1.23 -0.93 119.66 120.52 1a67 s GLN 63 Ca 0.08 -1.86 -0.09 0.00 0.02 0.00 0.00 55.36 53.51 1a67 s GLN 63 Cb -0.08 -3.79 -0.07 0.00 1.00 0.00 0.00 33.01 30.07 1a67 s GLN 63 CO 0.00 -1.15 0.48 0.14 -2.12 0.00 0.00 175.29 172.64 1a67 s VAL 64 N 1.15 5.01 -0.51 1.09 -7.23 0.27 -1.05 120.40 119.14 1a67 s VAL 64 Ca 0.08 0.40 -0.08 0.00 -1.81 0.00 0.00 61.98 60.56 1a67 s VAL 64 Cb -0.24 -3.64 0.13 0.00 0.56 0.00 0.00 36.38 33.19 1a67 s VAL 64 CO -0.02 0.05 0.38 -0.70 -0.31 0.00 0.00 175.10 174.49 1a67 s GLU 65 N -2.53 2.52 -0.09 4.82 2.56 -1.26 -0.70 118.70 124.03 1a67 s GLU 65 Ca 0.42 -1.92 -0.00 0.00 0.00 0.00 0.00 54.97 53.47 1a67 s GLU 65 Cb -0.12 -3.91 -0.03 0.00 2.00 0.00 0.00 34.13 32.07 1a67 s GLU 65 CO 0.21 -1.19 -0.06 0.96 -0.56 0.00 0.00 175.26 174.62 1a67 s ILE 66 N 1.07 3.74 0.42 -3.70 -4.36 -0.04 -1.71 121.20 116.63 1a67 s ILE 66 Ca 0.08 -0.45 0.04 0.00 -0.26 0.00 0.00 60.65 60.06 1a67 s ILE 66 Cb -0.24 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 1a67 s ILE 66 CO -0.02 0.57 0.04 -0.83 0.24 0.00 0.00 174.94 174.95 1a67 s GLY 67 N -0.51 2.59 0.08 6.27 0.00 -0.39 -0.63 107.32 114.74 1a67 s GLY 67 Ca 0.08 -1.44 0.05 0.00 0.00 0.00 0.00 44.72 43.41 1a67 s GLY 67 CO 0.02 -2.01 -0.13 0.50 0.00 0.00 0.00 173.10 171.47 1a67 s ARG 68 N -3.80 0.82 0.59 2.90 0.52 -1.23 -0.63 118.95 118.12 1a67 s ARG 68 Ca 0.24 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 1a67 s ARG 68 Cb 0.06 -0.78 0.05 0.00 0.52 0.00 0.00 34.95 34.80 1a67 s ARG 68 CO 0.12 0.17 0.83 0.95 0.02 0.00 0.00 175.30 177.39 1a67 s THR 69 N -1.45 2.55 0.00 0.02 -4.23 0.75 -4.01 115.64 109.27 1a67 s THR 69 Ca -0.01 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1a67 s THR 69 Cb -0.09 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1a67 s THR 69 CO 0.02 0.00 1.68 1.07 -0.54 0.00 0.00 174.62 176.85 1a67 n THR 70 N -2.47 1.68 -4.15 3.99 5.66 -0.51 -2.17 114.28 116.30 1a67 n THR 70 Ca 0.09 -0.35 -0.33 0.00 -3.05 0.00 0.00 64.05 60.40 1a67 n THR 70 Cb 0.60 -1.35 -0.15 0.00 -1.55 0.00 0.00 70.33 67.87 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a67 n PRO 72 N 4.57 3.65 -1.35 0.00 -0.04 -1.26 0.56 135.00 141.13 1a67 n PRO 72 Ca -0.20 -2.55 0.00 0.00 -0.04 0.00 0.00 63.50 60.71 1a67 n PRO 72 Cb 0.50 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1a67 n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1a67 n LYS 73 N 2.35 -0.35 0.00 0.54 5.02 -1.25 -4.65 118.16 119.82 1a67 n LYS 73 Ca 0.64 -0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1a67 n LYS 73 Cb 0.37 0.31 0.00 0.00 -0.02 0.00 0.00 35.03 35.69 1a67 n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a67 n SER 74 N 0.33 0.00 -0.46 4.39 3.41 -1.26 -5.07 113.62 114.96 1a67 n SER 74 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a67 n SER 74 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -5.14 113.62 114.66 1a67 n SER 75 Ca 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 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 0.00 0.26 3.79 5.00 0.00 -1.26 -4.95 105.19 108.03 1a67 n GLY 76 Ca 0.00 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 1a67 n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a67 s ASP 77 N -1.63 7.00 0.21 1.61 1.01 -1.26 -5.04 116.67 118.57 1a67 s ASP 77 Ca 0.00 1.88 -0.14 0.00 0.71 0.00 0.00 52.55 55.00 1a67 s ASP 77 Cb 0.00 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.41 1a67 s ASP 77 CO 0.00 -0.31 0.71 0.18 0.21 0.00 0.00 175.17 175.96 1a67 n LEU 78 N 0.01 0.00 0.00 1.23 4.32 -1.26 -5.12 117.00 116.18 1a67 n LEU 78 Ca 0.04 -1.49 0.00 0.00 -0.02 0.00 0.00 56.01 54.54 1a67 n LEU 78 Cb 0.51 2.49 0.00 0.00 -1.62 0.00 0.00 43.42 44.80 1a67 n LEU 78 CO 0.43 -0.50 0.00 0.00 -1.22 0.00 0.00 177.39 176.10 1a67 n GLN 79 N -0.49 0.00 0.00 3.23 6.02 -1.26 -5.04 117.38 119.84 1a67 n GLN 79 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1a67 n GLN 79 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 1a67 n GLN 79 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1a67 n SER 80 N -0.65 0.00 -2.47 1.08 3.41 -1.26 -4.94 113.62 108.79 1a67 n SER 80 Ca 0.00 0.55 -0.03 0.00 -0.26 0.00 0.00 58.87 59.13 1a67 n SER 80 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a67 s GLU 82 N -1.75 2.30 0.29 0.00 8.01 -1.26 -4.86 118.70 121.43 1a67 s GLU 82 Ca 0.10 -1.23 0.23 0.00 0.01 0.00 0.00 54.97 54.08 1a67 s GLU 82 Cb -0.03 -2.26 0.95 0.00 -4.31 0.00 0.00 34.13 28.48 1a67 s GLU 82 CO 0.59 0.42 0.94 1.19 0.01 0.00 0.00 175.26 178.41 1a67 n PHE 83 N -0.32 0.28 0.00 1.61 3.72 -1.26 -1.43 117.46 120.07 1a67 n PHE 83 Ca -0.09 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1a67 n PHE 83 Cb 0.56 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1a67 n PHE 83 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1a67 n HIS 84 N -3.63 0.00 0.00 1.38 -0.00 -1.24 -3.75 115.22 107.98 1a67 n HIS 84 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 1a67 n HIS 84 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.02 1a67 n HIS 84 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1a67 n ASP 85 N 0.00 0.00 -4.43 0.26 5.75 -1.26 -4.38 116.55 112.50 1a67 n ASP 85 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 54.79 54.32 1a67 n ASP 85 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1a67 n ASP 85 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1a67 n GLU 86 N 0.00 0.28 0.00 0.11 1.02 -1.26 -4.85 120.64 115.94 1a67 n GLU 86 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1a67 n GLU 86 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1a67 n GLU 86 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1a67 n PRO 87 N 0.96 0.00 0.33 3.49 -0.04 -1.26 -1.80 135.00 136.67 1a67 n PRO 87 Ca 0.15 0.27 0.15 0.00 -0.04 0.00 0.00 63.50 64.04 1a67 n PRO 87 Cb 0.28 -0.74 0.81 0.00 -0.04 0.00 0.00 33.50 33.82 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 0.00 0.00 -0.82 0.54 5.08 -1.97 -0.12 114.58 117.29 1a67 h GLU 88 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 1a67 h GLU 88 Cb 0.00 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 28.83 1a67 h GLU 88 CO 0.00 0.00 -0.92 -1.33 -1.00 0.00 0.00 179.01 175.76 1a67 n MET 89 N -2.85 2.83 -0.70 2.33 0.00 -1.26 -4.84 117.12 112.64 1a67 n MET 89 Ca -0.02 -3.96 -0.13 0.00 0.00 0.00 0.00 57.70 53.59 1a67 n MET 89 Cb 0.36 -1.99 0.06 0.00 0.00 0.00 0.00 33.22 31.65 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1a67 n ALA 90 N -0.58 4.42 -2.52 3.04 0.00 -0.06 -4.64 120.51 120.17 1a67 n ALA 90 Ca 0.30 -1.42 -0.03 0.00 0.00 0.00 0.00 53.44 52.29 1a67 n ALA 90 Cb 0.86 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 1a67 n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a67 n LYS 91 N 0.06 -3.94 -4.37 0.00 4.01 -1.26 -3.64 118.16 109.01 1a67 n LYS 91 Ca 0.27 2.95 -0.19 0.00 -0.51 0.00 0.00 58.31 60.84 1a67 n LYS 91 Cb 0.82 -3.95 -0.10 0.00 -0.51 0.00 0.00 35.03 31.28 1a67 n LYS 91 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1a67 s TYR 92 N -0.49 1.71 -0.13 2.13 2.02 -1.26 -3.55 117.35 117.78 1a67 s TYR 92 Ca -0.13 -1.03 -0.08 0.00 -0.37 0.00 0.00 57.07 55.46 1a67 s TYR 92 Cb 0.01 -1.05 0.05 0.00 -0.40 0.00 0.00 41.96 40.56 1a67 s TYR 92 CO 0.34 -0.13 0.32 0.99 -1.57 0.00 0.00 175.55 175.50 1a67 s THR 93 N -3.50 -0.03 0.23 -0.71 2.01 0.20 -4.95 115.64 108.89 1a67 s THR 93 Ca 0.35 0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.37 1a67 s THR 93 Cb 0.08 -0.48 -0.06 0.00 0.01 0.00 0.00 72.50 72.04 1a67 s THR 93 CO 0.13 0.04 0.52 0.28 -0.69 0.00 0.00 174.62 174.90 1a67 s THR 94 N 1.07 4.99 0.10 -0.82 -1.32 -1.26 -0.86 115.64 117.55 1a67 s THR 94 Ca -0.07 0.30 -0.20 0.00 -1.21 0.00 0.00 61.69 60.51 1a67 s THR 94 Cb -0.08 -3.64 0.05 0.00 -1.51 0.00 0.00 72.50 67.32 1a67 s THR 94 CO -0.08 -0.11 0.49 0.00 -2.21 0.00 0.00 174.62 172.71 1a67 s THR 96 N -3.22 -0.31 0.38 0.00 2.01 0.34 0.98 115.64 115.82 1a67 s THR 96 Ca -0.01 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.16 1a67 s THR 96 Cb 0.00 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1a67 s THR 96 CO -0.08 -0.05 0.32 0.72 -0.69 0.00 0.00 174.62 174.85 1a67 s PHE 97 N 2.33 2.77 -0.02 4.92 -0.71 -0.10 0.11 117.98 127.27 1a67 s PHE 97 Ca 0.05 -0.42 0.04 0.00 -1.04 0.00 0.00 56.93 55.55 1a67 s PHE 97 Cb -0.14 -2.00 -0.01 0.00 -1.21 0.00 0.00 43.02 39.66 1a67 s PHE 97 CO -0.09 0.03 -0.14 0.08 -1.34 0.00 0.00 175.22 173.75 1a67 s VAL 98 N -2.42 1.17 0.20 -2.49 1.01 -0.95 -1.36 120.40 115.56 1a67 s VAL 98 Ca 0.45 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.93 1a67 s VAL 98 Cb -0.04 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1a67 s VAL 98 CO 0.27 0.34 -0.23 -0.69 0.00 0.00 0.00 175.10 174.78 1a67 s VAL 99 N -0.15 2.31 -0.04 2.92 1.01 -0.19 -2.85 120.40 123.41 1a67 s VAL 99 Ca 0.02 -2.05 0.06 0.00 0.00 0.00 0.00 61.98 60.01 1a67 s VAL 99 Cb -0.08 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1a67 s VAL 99 CO 0.00 -0.15 -0.21 -0.47 0.00 0.00 0.00 175.10 174.27 1a67 s TYR 100 N -1.76 2.51 -0.25 5.22 6.14 -0.56 -0.24 117.35 128.41 1a67 s TYR 100 Ca 0.21 -0.35 -0.12 0.00 0.64 0.00 0.00 57.07 57.45 1a67 s TYR 100 Cb -0.08 -1.57 0.09 0.00 0.42 0.00 0.00 41.96 40.82 1a67 s TYR 100 CO 0.10 0.04 0.59 0.45 0.64 0.00 0.00 175.55 177.37 1a67 s SER 101 N -0.60 -0.83 -0.30 4.32 0.15 -0.39 -1.46 113.70 114.60 1a67 s SER 101 Ca 0.09 1.34 0.02 0.00 0.70 0.00 0.00 55.95 58.11 1a67 s SER 101 Cb -0.11 1.45 0.19 0.00 -1.71 0.00 0.00 66.02 65.85 1a67 s SER 101 CO 0.00 -0.23 0.60 -0.63 1.20 0.00 0.00 173.24 174.19 1a67 s ILE 102 N 1.96 -0.99 -1.03 6.45 1.09 -0.45 -1.78 121.20 126.44 1a67 s ILE 102 Ca -0.08 0.00 0.27 0.00 -1.10 0.00 0.00 60.65 59.74 1a67 s ILE 102 Cb -0.08 -1.00 0.13 0.00 -1.06 0.00 0.00 42.46 40.45 1a67 s ILE 102 CO -0.17 0.00 1.65 -0.81 -0.10 0.00 0.00 174.94 175.51 1a67 n PRO 103 N 5.42 0.03 0.02 2.79 -0.04 -1.26 -1.08 135.00 140.89 1a67 n PRO 103 Ca 0.02 -0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1a67 n PRO 103 Cb 0.52 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.95 1a67 n PRO 103 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1a67 n TRP 104 N -1.47 0.14 -2.00 0.54 -0.00 -1.26 -3.86 117.44 109.53 1a67 n TRP 104 Ca 0.07 0.05 -0.00 0.00 -0.00 0.00 0.00 57.50 57.61 1a67 n TRP 104 Cb 0.33 -0.58 -0.00 0.00 -0.00 0.00 0.00 31.31 31.07 1a67 n TRP 104 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1a67 n LEU 105 N -1.62 0.00 -2.17 5.67 4.77 -1.26 -5.04 117.00 117.36 1a67 n LEU 105 Ca 0.05 -1.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.02 1a67 n LEU 105 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1a67 n LEU 105 CO 0.21 0.56 0.13 -3.20 -1.33 0.00 0.00 177.39 173.76 1a67 n ASN 106 N 0.00 -4.38 -3.57 -1.43 5.15 -1.25 -5.08 115.26 104.71 1a67 n ASN 106 Ca -0.00 -0.06 -0.14 0.00 -0.60 0.00 0.00 54.58 53.78 1a67 n ASN 106 Cb 0.62 -2.78 -0.05 0.00 -0.53 0.00 0.00 39.78 37.04 1a67 n ASN 106 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1a67 s GLN 107 N -3.07 1.05 0.00 1.20 0.74 -0.24 -5.04 119.66 114.29 1a67 s GLN 107 Ca 0.02 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.20 1a67 s GLN 107 Cb -0.00 0.48 0.00 0.00 1.10 0.00 0.00 33.01 34.59 1a67 s GLN 107 CO 0.31 -0.38 0.00 1.51 -0.55 0.00 0.00 175.29 176.18 1a67 n ILE 108 N 0.38 0.00 -3.30 -2.34 3.06 -1.26 -1.34 119.36 114.55 1a67 n ILE 108 Ca -0.18 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.04 1a67 n ILE 108 Cb 0.60 0.00 0.01 0.00 0.54 0.00 0.00 39.64 40.79 1a67 n ILE 108 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1a67 n LYS 109 N -0.18 0.33 -3.54 9.51 5.02 -0.53 -4.94 118.16 123.82 1a67 n LYS 109 Ca 0.00 -0.70 -0.29 0.00 -2.02 0.00 0.00 58.31 55.30 1a67 n LYS 109 Cb 0.00 0.84 -0.12 0.00 -0.02 0.00 0.00 35.03 35.73 1a67 n LYS 109 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1a67 s LEU 110 N 0.00 1.69 0.03 -0.35 1.98 -1.26 -1.49 118.68 119.28 1a67 s LEU 110 Ca 0.05 -2.54 -0.06 0.00 -2.89 0.00 0.00 54.13 48.70 1a67 s LEU 110 Cb -0.01 -0.63 -0.01 0.00 0.66 0.00 0.00 46.19 46.19 1a67 s LEU 110 CO 0.04 -0.26 1.07 -0.11 -1.89 0.00 0.00 176.35 175.19 1a67 n LEU 111 N 3.60 -0.20 0.00 -0.68 7.94 -1.13 -4.93 117.00 121.60 1a67 n LEU 111 Ca 0.15 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 1a67 n LEU 111 Cb 0.38 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 43.90 1a67 n LEU 111 CO 0.16 -0.66 0.00 -1.84 -1.11 0.00 0.00 177.39 173.94 1a67 n GLU 112 N -3.40 -1.85 -4.13 1.96 0.28 -1.24 -5.02 120.64 107.24 1a67 n GLU 112 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 1a67 n GLU 112 Cb 0.05 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.86 1a67 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1a67 s SER 113 N -3.61 5.30 -0.49 -1.84 1.04 -1.26 -2.23 113.70 110.60 1a67 s SER 113 Ca 0.00 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.24 1a67 s SER 113 Cb 0.00 -1.31 0.18 0.00 0.10 0.00 0.00 66.02 64.99 1a67 s SER 113 CO 0.00 0.05 0.40 1.17 0.98 0.00 0.00 173.24 175.84 1a67 n LYS 114 N -0.48 0.70 -3.81 4.02 0.00 0.30 -4.91 118.16 113.98 1a67 n LYS 114 Ca -0.08 -3.55 -0.23 0.00 0.00 0.00 0.00 58.31 54.45 1a67 n LYS 114 Cb 0.56 -1.81 -0.04 0.00 0.00 0.00 0.00 35.03 33.74 1a67 n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40