#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a67 n ALA 10 N 0.00 -2.17 -2.61 4.61 0.00 -1.26 -4.71 120.51 114.37 1a67 n ALA 10 Ca 0.00 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 1a67 n ALA 10 Cb 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1a67 n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a67 s PRO 11 N -2.59 3.87 0.16 0.00 0.04 -1.26 -4.67 135.00 130.54 1a67 s PRO 11 Ca 0.00 0.69 0.05 0.00 0.04 0.00 0.00 61.00 61.78 1a67 s PRO 11 Cb 0.00 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1a67 s PRO 11 CO 0.00 -1.03 0.12 0.14 0.04 0.00 0.00 177.00 176.27 1a67 s VAL 12 N 3.72 4.41 0.21 -0.36 -7.23 -0.14 -4.81 120.40 116.19 1a67 s VAL 12 Ca 0.42 -1.08 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 1a67 s VAL 12 Cb -0.11 -3.23 -0.08 0.00 0.56 0.00 0.00 36.38 33.51 1a67 s VAL 12 CO 0.21 -0.08 1.01 -2.16 -0.31 0.00 0.00 175.10 173.76 1a67 s PRO 13 N -3.01 4.73 -0.13 4.82 0.04 -1.26 -0.86 135.00 139.32 1a67 s PRO 13 Ca 0.30 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 1a67 s PRO 13 Cb -0.10 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 1a67 s PRO 13 CO 0.23 0.30 -0.00 0.08 0.04 0.00 0.00 177.00 177.64 1a67 s VAL 14 N -0.71 4.26 0.24 -0.36 1.01 -1.25 -4.91 120.40 118.68 1a67 s VAL 14 Ca 0.45 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1a67 s VAL 14 Cb -0.27 -2.84 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 1a67 s VAL 14 CO 0.34 0.54 1.41 1.51 0.00 0.00 0.00 175.10 178.90 1a67 s ASP 15 N -0.25 6.72 -0.08 3.32 1.47 -1.26 -4.87 116.67 121.72 1a67 s ASP 15 Ca 0.06 2.60 0.03 0.00 1.18 0.00 0.00 52.55 56.42 1a67 s ASP 15 Cb -0.12 -2.62 0.22 0.00 -0.34 0.00 0.00 42.92 40.06 1a67 s ASP 15 CO 0.02 -0.66 0.92 -0.62 0.68 0.00 0.00 175.17 175.51 1a67 n GLU 16 N 2.40 1.96 -0.03 2.11 4.71 -1.26 -3.72 120.64 126.82 1a67 n GLU 16 Ca 0.07 -0.87 -0.11 0.00 -0.01 0.00 0.00 57.16 56.24 1a67 n GLU 16 Cb 0.41 -1.65 -0.14 0.00 -1.01 0.00 0.00 31.44 29.05 1a67 n GLU 16 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1a67 n ASN 17 N 0.15 1.00 -4.76 1.62 4.13 -1.26 -4.88 115.26 111.26 1a67 n ASN 17 Ca 0.09 0.34 -0.41 0.00 1.68 0.00 0.00 54.58 56.28 1a67 n ASN 17 Cb 0.57 -0.10 -0.02 0.00 -1.54 0.00 0.00 39.78 38.70 1a67 n ASN 17 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 1a67 s ASP 18 N -6.18 6.51 0.00 6.41 -4.77 -1.24 -4.86 116.67 112.53 1a67 s ASP 18 Ca -0.08 2.85 0.24 0.00 -3.30 0.00 0.00 52.55 52.25 1a67 s ASP 18 Cb 0.08 -2.64 1.43 0.00 -1.09 0.00 0.00 42.92 40.70 1a67 s ASP 18 CO 0.81 -0.79 1.91 1.21 0.70 0.00 0.00 175.17 179.01 1a67 n GLU 19 N 1.72 0.98 -0.03 2.11 4.07 -1.26 -3.54 120.64 124.69 1a67 n GLU 19 Ca 0.05 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.00 1a67 n GLU 19 Cb 0.39 -1.38 -0.10 0.00 -0.06 0.00 0.00 31.44 30.29 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 5.10 0.33 2.00 8.31 0.00 -1.98 -3.02 103.07 113.82 1a67 h GLY 20 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1a67 h GLY 20 CO 0.00 0.42 0.00 -0.10 0.00 0.00 0.00 176.54 176.86 1a67 n LEU 21 N -4.45 0.65 0.09 3.11 7.94 -1.23 -2.50 117.00 120.60 1a67 n LEU 21 Ca -0.09 0.65 0.07 0.00 -1.11 0.00 0.00 56.01 55.53 1a67 n LEU 21 Cb 0.49 -0.54 0.33 0.00 0.53 0.00 0.00 43.42 44.23 1a67 n LEU 21 CO 0.41 -0.50 0.70 1.67 -1.11 0.00 0.00 177.39 178.56 1a67 n GLN 22 N -2.20 0.08 0.11 1.96 7.27 -1.14 -1.35 117.38 122.12 1a67 n GLN 22 Ca 0.03 0.54 -0.23 0.00 0.07 0.00 0.00 57.00 57.40 1a67 n GLN 22 Cb 0.25 -1.74 -0.16 0.00 2.41 0.00 0.00 30.24 31.00 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 0.47 -0.02 3.69 9.65 -1.65 -3.16 114.38 123.35 1a67 h ARG 23 Ca 0.00 -0.80 0.01 0.00 -1.10 0.00 0.00 59.98 58.09 1a67 h ARG 23 Cb 0.05 0.30 -0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1a67 h ARG 23 CO 0.00 1.38 0.08 0.00 2.80 0.00 0.00 179.97 184.24 1a67 h ALA 24 N 0.12 1.24 -0.36 2.80 0.00 -1.42 0.15 119.26 121.79 1a67 h ALA 24 Ca -0.24 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1a67 h ALA 24 Cb 2.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1a67 h ALA 24 CO 0.23 -0.10 -0.24 1.25 0.00 0.00 0.00 179.25 180.40 1a67 h LEU 25 N 0.00 0.73 -0.07 0.00 7.12 -1.52 -3.00 115.31 118.56 1a67 h LEU 25 Ca 0.01 -0.26 -0.01 0.00 0.13 0.00 0.00 57.88 57.75 1a67 h LEU 25 Cb 0.18 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1a67 h LEU 25 CO -0.00 0.94 -0.00 1.56 -0.13 0.00 0.00 178.44 180.81 1a67 h GLN 26 N 0.62 0.12 -0.82 1.25 4.20 -1.08 -1.39 115.11 118.01 1a67 h GLN 26 Ca 0.09 -0.04 0.20 0.00 0.06 0.00 0.00 58.65 58.96 1a67 h GLN 26 Cb 0.73 -0.01 -0.14 0.00 0.30 0.00 0.00 27.48 28.36 1a67 h GLN 26 CO 0.06 0.40 0.04 0.35 -0.67 0.00 0.00 178.83 179.01 1a67 h PHE 27 N -0.17 0.01 -0.22 2.96 3.04 -1.47 0.18 116.94 121.28 1a67 h PHE 27 Ca 0.02 0.06 -0.20 0.00 3.98 0.00 0.00 57.97 61.83 1a67 h PHE 27 Cb 0.34 0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1a67 h PHE 27 CO 0.03 -0.27 -0.65 0.00 -2.02 0.00 0.00 178.31 175.41 1a67 h ALA 28 N 1.77 0.44 0.00 2.41 0.00 -1.39 -2.60 119.26 119.89 1a67 h ALA 28 Ca 0.47 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a67 h ALA 28 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1a67 h ALA 28 CO -0.71 0.69 0.00 0.52 0.00 0.00 0.00 179.25 179.74 1a67 h MET 29 N 0.58 0.00 0.00 0.00 2.86 0.40 -1.67 114.93 117.10 1a67 h MET 29 Ca -0.01 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1a67 h MET 29 Cb 1.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 1a67 h MET 29 CO 0.14 0.00 -0.89 0.00 1.06 0.00 0.00 176.91 177.22 1a67 n ALA 30 N -1.85 0.62 0.01 6.32 0.00 0.13 -2.38 120.51 123.36 1a67 n ALA 30 Ca 0.01 -0.46 0.15 0.00 0.00 0.00 0.00 53.44 53.14 1a67 n ALA 30 Cb 0.19 -0.24 0.61 0.00 0.00 0.00 0.00 19.45 20.01 1a67 n ALA 30 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1a67 h GLU 31 N -1.00 0.14 -0.01 0.00 5.08 -1.47 0.35 114.58 117.68 1a67 h GLU 31 Ca -0.17 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 1a67 h GLU 31 Cb 0.89 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1a67 h GLU 31 CO -0.10 0.09 -0.71 -0.92 -1.00 0.00 0.00 179.01 176.37 1a67 h TYR 32 N 0.14 0.07 0.00 4.33 3.20 -1.43 -3.02 116.97 120.25 1a67 h TYR 32 Ca 0.22 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1a67 h TYR 32 Cb 0.68 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 1a67 h TYR 32 CO -0.00 0.74 -0.06 -2.95 -1.64 0.00 0.00 178.16 174.25 1a67 h ASN 33 N 0.03 0.00 1.04 -2.11 -0.00 0.09 -0.62 115.58 114.01 1a67 h ASN 33 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1a67 h ASN 33 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.57 1a67 h ASN 33 CO 0.10 0.06 -0.25 -1.14 -0.00 0.00 0.00 177.43 176.19 1a67 n ARG 34 N -3.61 0.17 0.05 4.14 0.63 -1.14 -3.32 116.66 113.58 1a67 n ARG 34 Ca -0.02 0.10 0.12 0.00 -0.92 0.00 0.00 57.85 57.13 1a67 n ARG 34 Cb 0.16 -1.65 0.28 0.00 0.45 0.00 0.00 32.46 31.70 1a67 n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a67 n ALA 35 N -1.69 2.84 1.89 5.13 0.00 -0.24 -3.66 120.51 124.78 1a67 n ALA 35 Ca 0.05 -0.20 0.15 0.00 0.00 0.00 0.00 53.44 53.44 1a67 n ALA 35 Cb 0.40 -1.25 0.83 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.98 0.33 -0.15 0.00 3.41 -1.20 -3.26 113.62 110.77 1a67 n SER 36 Ca 0.04 -1.13 0.14 0.00 -0.26 0.00 0.00 58.87 57.67 1a67 n SER 36 Cb 0.41 -0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.13 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 -0.73 0.46 -3.79 4.04 2.04 -1.24 -4.82 115.26 111.21 1a67 n ASN 37 Ca 0.22 -1.21 0.00 0.00 -0.44 0.00 0.00 54.58 53.16 1a67 n ASN 37 Cb 0.16 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.40 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 -0.62 0.00 -2.57 0.53 5.75 -1.20 -4.97 116.55 113.47 1a67 n ASP 38 Ca 0.21 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.91 1a67 n ASP 38 Cb 0.18 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.31 1a67 n ASP 38 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1a67 n LYS 39 N 0.00 2.36 0.00 0.11 4.81 -1.26 -4.97 118.16 119.21 1a67 n LYS 39 Ca 0.00 -3.73 0.00 0.00 -0.87 0.00 0.00 58.31 53.71 1a67 n LYS 39 Cb 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.22 1a67 n LYS 39 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1a67 n TYR 40 N -0.63 0.00 -4.30 5.64 4.01 -1.25 -4.59 117.16 116.03 1a67 n TYR 40 Ca 0.19 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.76 1a67 n TYR 40 Cb 0.86 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.75 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 1.90 1.13 0.16 7.72 1.04 0.83 -4.46 113.70 122.03 1a67 s SER 41 Ca 0.00 -0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.24 1a67 s SER 41 Cb 0.00 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1a67 s SER 41 CO 0.00 0.04 -0.18 -0.44 0.98 0.00 0.00 173.24 173.64 1a67 s SER 42 N -0.63 3.83 -0.29 7.02 0.01 -1.26 0.13 113.70 122.51 1a67 s SER 42 Ca 0.01 -0.68 -0.24 0.00 1.31 0.00 0.00 55.95 56.36 1a67 s SER 42 Cb -0.05 -0.49 0.17 0.00 0.21 0.00 0.00 66.02 65.85 1a67 s SER 42 CO 0.00 0.14 1.25 0.00 0.41 0.00 0.00 173.24 175.04 1a67 s ARG 43 N -2.53 0.23 0.43 12.44 1.70 -0.63 -4.94 118.95 125.66 1a67 s ARG 43 Ca 0.21 0.30 -0.16 0.00 -0.47 0.00 0.00 55.73 55.61 1a67 s ARG 43 Cb -0.09 0.11 -0.08 0.00 -0.57 0.00 0.00 34.95 34.31 1a67 s ARG 43 CO 0.11 -0.03 0.87 0.54 -1.08 0.00 0.00 175.30 175.72 1a67 s VAL 44 N 0.27 4.59 -0.24 4.99 0.11 -1.26 -1.59 120.40 127.28 1a67 s VAL 44 Ca 0.04 1.08 -0.12 0.00 -2.93 0.00 0.00 61.98 60.04 1a67 s VAL 44 Cb -0.05 -3.67 -0.17 0.00 -1.53 0.00 0.00 36.38 30.96 1a67 s VAL 44 CO -0.12 -0.46 -0.09 0.52 -3.33 0.00 0.00 175.10 171.61 1a67 n VAL 45 N -1.06 1.56 -3.53 2.04 0.31 -0.62 -4.87 118.33 112.16 1a67 n VAL 45 Ca 0.05 -0.36 -0.11 0.00 -0.01 0.00 0.00 64.34 63.91 1a67 n VAL 45 Cb 0.54 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.63 1a67 n VAL 45 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1a67 s ARG 46 N -2.48 1.33 -0.07 5.55 3.52 -1.26 -5.06 118.95 120.49 1a67 s ARG 46 Ca -0.33 -0.60 0.04 0.00 -0.13 0.00 0.00 55.73 54.70 1a67 s ARG 46 Cb 0.10 0.57 -0.02 0.00 -1.56 0.00 0.00 34.95 34.05 1a67 s ARG 46 CO 0.57 -0.58 -0.18 0.08 -0.81 0.00 0.00 175.30 174.39 1a67 s VAL 47 N -3.79 2.73 0.13 7.11 1.01 -1.26 -2.68 120.40 123.65 1a67 s VAL 47 Ca 0.03 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 1a67 s VAL 47 Cb -0.01 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1a67 s VAL 47 CO -0.09 0.57 1.52 0.40 0.00 0.00 0.00 175.10 177.50 1a67 h ILE 48 N 4.79 1.28 0.00 2.22 1.08 -1.50 -3.49 117.51 121.88 1a67 h ILE 48 Ca -0.37 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 62.85 1a67 h ILE 48 Cb 1.17 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1a67 h ILE 48 CO 0.50 0.42 0.00 -0.24 -0.69 0.00 0.00 178.15 178.14 1a67 n SER 49 N -4.29 0.00 -4.45 1.72 2.88 -1.26 -4.99 113.62 103.23 1a67 n SER 49 Ca -0.01 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.16 1a67 n SER 49 Cb 0.39 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.72 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 -1.82 3.17 0.33 -1.46 0.00 -1.26 -4.05 121.76 116.66 1a67 s ALA 50 Ca 0.00 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 50.93 1a67 s ALA 50 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 1a67 s ALA 50 CO 0.00 -0.47 0.01 0.15 0.00 0.00 0.00 175.76 175.45 1a67 s LYS 51 N 1.58 2.11 0.05 0.00 1.02 -0.64 -3.76 119.74 120.10 1a67 s LYS 51 Ca 0.06 -1.69 -0.04 0.00 0.02 0.00 0.00 55.97 54.33 1a67 s LYS 51 Cb -0.15 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.16 1a67 s LYS 51 CO 0.04 0.18 0.04 0.50 -0.92 0.00 0.00 175.35 175.19 1a67 s ARG 52 N -3.71 0.64 0.19 1.68 3.52 -0.04 -1.10 118.95 120.13 1a67 s ARG 52 Ca 0.34 -1.03 -0.11 0.00 -0.13 0.00 0.00 55.73 54.81 1a67 s ARG 52 Cb -0.01 0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.61 1a67 s ARG 52 CO 0.19 -0.15 0.36 -1.14 -0.81 0.00 0.00 175.30 173.75 1a67 s GLN 53 N -3.47 1.29 -0.02 5.12 0.74 -0.23 -0.97 119.66 122.12 1a67 s GLN 53 Ca 0.03 -1.18 0.07 0.00 0.05 0.00 0.00 55.36 54.33 1a67 s GLN 53 Cb 0.04 0.41 -0.02 0.00 1.10 0.00 0.00 33.01 34.55 1a67 s GLN 53 CO -0.09 -0.50 -0.24 -0.48 -0.55 0.00 0.00 175.29 173.44 1a67 s LEU 54 N -2.98 2.05 -0.45 3.68 2.34 -1.26 -1.28 118.68 120.77 1a67 s LEU 54 Ca 0.19 -0.44 0.04 0.00 0.06 0.00 0.00 54.13 53.98 1a67 s LEU 54 Cb 0.02 -1.25 0.24 0.00 -0.56 0.00 0.00 46.19 44.64 1a67 s LEU 54 CO 0.03 0.30 0.96 1.33 -1.06 0.00 0.00 176.35 177.90 1a67 n VAL 55 N 2.50 0.00 0.00 1.48 0.24 -1.26 -4.90 118.33 116.39 1a67 n VAL 55 Ca -0.16 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 1a67 n VAL 55 Cb 0.52 1.32 0.00 0.00 -1.47 0.00 0.00 33.84 34.21 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 1.79 0.00 0.00 -1.34 2.88 -1.26 -4.84 113.62 110.85 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 4.74 3.57 0.46 0.00 -1.26 -4.73 105.19 107.97 1a67 n GLY 57 Ca 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 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 0.43 3.24 -0.06 -0.61 1.01 -0.61 -4.41 121.20 120.20 1a67 s ILE 58 Ca 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 60.65 59.11 1a67 s ILE 58 Cb 0.00 -2.57 0.04 0.00 0.01 0.00 0.00 42.46 39.94 1a67 s ILE 58 CO 0.00 -0.03 0.12 -0.75 0.00 0.00 0.00 174.94 174.28 1a67 s LYS 59 N -2.60 0.03 0.30 2.79 2.20 -0.40 -0.19 119.74 121.87 1a67 s LYS 59 Ca 0.23 0.40 0.03 0.00 -0.36 0.00 0.00 55.97 56.27 1a67 s LYS 59 Cb -0.10 -0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 35.94 1a67 s LYS 59 CO 0.15 -0.23 0.45 0.71 -0.36 0.00 0.00 175.35 176.07 1a67 s TYR 60 N 1.60 3.42 -0.19 4.03 1.51 -0.15 -1.07 117.35 126.50 1a67 s TYR 60 Ca -0.04 0.10 -0.07 0.00 -1.01 0.00 0.00 57.07 56.05 1a67 s TYR 60 Cb -0.12 -1.77 0.09 0.00 -0.11 0.00 0.00 41.96 40.05 1a67 s TYR 60 CO -0.05 0.24 0.41 0.96 -1.11 0.00 0.00 175.55 176.00 1a67 s ILE 61 N -2.15 -0.61 -0.05 2.71 -4.36 -0.25 -0.79 121.20 115.70 1a67 s ILE 61 Ca 0.38 0.17 0.04 0.00 -0.26 0.00 0.00 60.65 60.99 1a67 s ILE 61 Cb -0.09 -0.65 -0.00 0.00 1.25 0.00 0.00 42.46 42.97 1a67 s ILE 61 CO 0.32 0.07 -0.18 -1.48 0.24 0.00 0.00 174.94 173.92 1a67 s LEU 62 N 2.56 1.91 -0.38 0.37 2.34 -0.55 -1.62 118.68 123.31 1a67 s LEU 62 Ca -0.02 -0.37 -0.08 0.00 0.06 0.00 0.00 54.13 53.72 1a67 s LEU 62 Cb -0.12 -1.01 0.06 0.00 -0.56 0.00 0.00 46.19 44.56 1a67 s LEU 62 CO -0.12 0.15 0.19 -1.58 -1.06 0.00 0.00 176.35 173.93 1a67 s GLN 63 N 0.09 2.57 0.20 1.48 -0.44 -1.26 -0.51 119.66 121.79 1a67 s GLN 63 Ca -0.05 -1.36 0.05 0.00 -2.50 0.00 0.00 55.36 51.50 1a67 s GLN 63 Cb -0.12 -3.64 -0.04 0.00 -1.64 0.00 0.00 33.01 27.57 1a67 s GLN 63 CO 0.03 -0.84 0.20 0.14 0.50 0.00 0.00 175.29 175.32 1a67 s VAL 64 N 1.40 4.65 -0.65 1.34 -7.23 0.81 -1.12 120.40 119.60 1a67 s VAL 64 Ca 0.02 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1a67 s VAL 64 Cb -0.21 -3.44 0.16 0.00 0.56 0.00 0.00 36.38 33.45 1a67 s VAL 64 CO 0.02 -0.21 0.45 -0.70 -0.31 0.00 0.00 175.10 174.35 1a67 s GLU 65 N -3.47 2.50 -0.04 4.82 2.12 -1.09 -1.39 118.70 122.15 1a67 s GLU 65 Ca 0.32 -2.81 -0.16 0.00 0.36 0.00 0.00 54.97 52.69 1a67 s GLU 65 Cb -0.09 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 1a67 s GLU 65 CO 0.25 -1.19 0.43 0.96 -0.54 0.00 0.00 175.26 175.17 1a67 s ILE 66 N -0.56 5.08 0.29 -3.70 -4.36 0.45 -1.59 121.20 116.82 1a67 s ILE 66 Ca 0.20 0.87 0.05 0.00 -0.26 0.00 0.00 60.65 61.51 1a67 s ILE 66 Cb -0.17 -3.74 -0.06 0.00 1.25 0.00 0.00 42.46 39.73 1a67 s ILE 66 CO -0.06 0.49 -0.01 -0.83 0.24 0.00 0.00 174.94 174.77 1a67 s GLY 67 N -0.45 1.90 0.49 6.27 0.00 -0.62 0.96 107.32 115.86 1a67 s GLY 67 Ca 0.24 -1.95 0.05 0.00 0.00 0.00 0.00 44.72 43.06 1a67 s GLY 67 CO 0.12 -1.82 0.45 0.54 0.00 0.00 0.00 173.10 172.39 1a67 n ARG 68 N -0.61 0.75 -3.82 2.90 1.74 -1.26 -1.60 116.66 114.75 1a67 n ARG 68 Ca -0.04 -2.94 -0.08 0.00 -0.77 0.00 0.00 57.85 54.02 1a67 n ARG 68 Cb 0.65 0.19 0.02 0.00 -1.02 0.00 0.00 32.46 32.29 1a67 n ARG 68 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1a67 s THR 69 N -2.33 0.00 0.00 0.55 -1.32 0.12 -4.04 115.64 108.61 1a67 s THR 69 Ca 0.34 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 1a67 s THR 69 Cb -0.03 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 1a67 s THR 69 CO 0.21 0.00 0.00 1.07 -2.21 0.00 0.00 174.62 173.69 1a67 n THR 70 N -0.55 0.00 -3.13 5.08 5.66 -0.43 -1.73 114.28 119.19 1a67 n THR 70 Ca -0.07 0.02 -0.05 0.00 -3.05 0.00 0.00 64.05 60.90 1a67 n THR 70 Cb 0.60 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a67 s PRO 72 N -1.34 3.52 1.10 0.00 0.04 -1.26 -3.07 135.00 133.98 1a67 s PRO 72 Ca 0.05 -1.57 0.00 0.00 0.04 0.00 0.00 61.00 59.52 1a67 s PRO 72 Cb -0.01 -4.85 0.00 0.00 0.04 0.00 0.00 34.50 29.68 1a67 s PRO 72 CO 0.27 -1.81 0.00 0.36 0.04 0.00 0.00 177.00 175.86 1a67 n LYS 73 N 6.91 0.00 -1.00 4.56 2.85 -1.26 -2.78 118.16 127.43 1a67 n LYS 73 Ca 0.20 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.27 1a67 n LYS 73 Cb 0.49 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.89 1a67 n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1a67 n SER 74 N -3.57 6.55 -1.34 -5.58 3.41 -1.26 -4.27 113.62 107.55 1a67 n SER 74 Ca 0.00 -3.13 0.08 0.00 -0.26 0.00 0.00 58.87 55.56 1a67 n SER 74 Cb 0.00 -1.08 0.33 0.00 -0.26 0.00 0.00 64.21 63.20 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 0.35 4.72 -0.05 4.04 3.41 -1.12 -4.35 113.62 120.62 1a67 n SER 75 Ca 0.35 -2.98 -0.03 0.00 -0.26 0.00 0.00 58.87 55.96 1a67 n SER 75 Cb 0.58 -0.61 -0.13 0.00 -0.26 0.00 0.00 64.21 63.80 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 -0.77 2.62 5.00 0.00 -1.26 -4.97 105.19 105.81 1a67 n GLY 76 Ca 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1a67 n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a67 n ASP 77 N -2.42 -2.17 -0.16 1.61 -0.08 -1.26 -4.93 116.55 107.13 1a67 n ASP 77 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1a67 n ASP 77 Cb 0.83 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 43.38 1a67 n ASP 77 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1a67 n LEU 78 N 0.00 0.00 0.00 -2.67 4.77 -1.26 -5.16 117.00 112.68 1a67 n LEU 78 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1a67 n LEU 78 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1a67 n LEU 78 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1a67 n GLN 79 N 0.00 0.00 0.00 3.23 6.02 -1.26 -5.00 117.38 120.37 1a67 n GLN 79 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1a67 n GLN 79 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 0.00 0.00 -1.21 1.08 2.88 -1.26 -4.85 113.62 110.26 1a67 n SER 80 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 1a67 n SER 80 Cb 0.00 0.00 -0.07 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 -3.44 1.09 0.00 0.00 0.41 -1.26 -5.00 118.70 110.49 1a67 s GLU 82 Ca 0.00 -1.28 0.00 0.00 -0.41 0.00 0.00 54.97 53.28 1a67 s GLU 82 Cb 0.00 0.33 0.00 0.00 -1.78 0.00 0.00 34.13 32.68 1a67 s GLU 82 CO 0.00 -0.37 0.63 1.19 -0.49 0.00 0.00 175.26 176.22 1a67 n PHE 83 N -0.18 0.00 -2.43 1.61 3.01 -1.26 -1.31 117.46 116.90 1a67 n PHE 83 Ca -0.06 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.38 1a67 n PHE 83 Cb 0.63 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 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 -1.13 -2.83 0.00 1.38 -0.00 -1.26 -3.83 115.22 107.54 1a67 n HIS 84 Ca 0.00 1.22 0.00 0.00 -0.00 0.00 0.00 57.72 58.94 1a67 n HIS 84 Cb 0.01 -3.39 0.00 0.00 -0.00 0.00 0.00 29.99 26.62 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 0.22 0.00 -0.41 0.26 9.92 -1.26 -4.94 116.55 120.33 1a67 n ASP 85 Ca 0.03 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.35 1a67 n ASP 85 Cb 0.12 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.58 1a67 n ASP 85 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1a67 n GLU 86 N 0.00 -0.85 -0.06 -1.24 1.02 -1.26 -3.70 120.64 114.56 1a67 n GLU 86 Ca 0.00 0.58 -0.16 0.00 -0.02 0.00 0.00 57.16 57.56 1a67 n GLU 86 Cb 0.00 -1.03 -0.13 0.00 -0.02 0.00 0.00 31.44 30.26 1a67 n GLU 86 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1a67 h PRO 87 N -0.38 0.04 -0.08 3.49 0.13 -2.00 -2.97 132.00 130.22 1a67 h PRO 87 Ca -0.00 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1a67 h PRO 87 Cb 0.38 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 1a67 h PRO 87 CO 0.01 1.03 0.10 0.93 -0.23 0.00 0.00 178.00 179.84 1a67 h GLU 88 N -0.91 0.00 -0.67 0.86 4.39 -2.07 -0.32 114.58 115.87 1a67 h GLU 88 Ca -0.08 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.15 1a67 h GLU 88 Cb 1.14 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 29.47 1a67 h GLU 88 CO -0.01 0.00 -0.40 -1.33 -1.16 0.00 0.00 179.01 176.11 1a67 n MET 89 N -3.74 3.02 -0.90 2.33 0.00 -1.24 -5.06 117.12 111.52 1a67 n MET 89 Ca -0.01 -3.80 -0.31 0.00 0.00 0.00 0.00 57.70 53.58 1a67 n MET 89 Cb 0.20 -2.15 0.03 0.00 0.00 0.00 0.00 33.22 31.30 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 -0.84 -4.67 -3.15 3.04 0.00 -0.13 -4.62 120.51 110.13 1a67 n ALA 90 Ca 0.43 -0.49 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1a67 n ALA 90 Cb 0.90 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.33 1a67 n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1a67 s LYS 91 N -1.56 0.45 0.00 0.00 2.47 -1.26 -5.03 119.74 114.81 1a67 s LYS 91 Ca 0.37 0.55 0.00 0.00 -1.56 0.00 0.00 55.97 55.33 1a67 s LYS 91 Cb -0.21 0.27 0.00 0.00 -1.46 0.00 0.00 37.83 36.44 1a67 s LYS 91 CO 0.69 -0.75 0.00 0.66 0.16 0.00 0.00 175.35 176.11 1a67 n TYR 92 N 5.37 0.00 -3.52 4.03 4.01 -1.26 -4.30 117.16 121.49 1a67 n TYR 92 Ca 0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.75 1a67 n TYR 92 Cb 0.54 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.52 1a67 n TYR 92 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1a67 s THR 93 N 0.80 -0.86 0.14 -0.72 2.01 0.27 -4.89 115.64 112.39 1a67 s THR 93 Ca 0.00 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.89 1a67 s THR 93 Cb 0.00 -0.89 -0.07 0.00 0.01 0.00 0.00 72.50 71.56 1a67 s THR 93 CO 0.00 0.01 0.55 0.28 -0.69 0.00 0.00 174.62 174.77 1a67 s THR 94 N 2.77 4.84 0.12 -0.82 -1.32 -1.26 -0.41 115.64 119.56 1a67 s THR 94 Ca 0.03 0.88 -0.26 0.00 -1.21 0.00 0.00 61.69 61.13 1a67 s THR 94 Cb -0.13 -3.75 0.07 0.00 -1.51 0.00 0.00 72.50 67.18 1a67 s THR 94 CO -0.17 0.28 0.92 0.00 -2.21 0.00 0.00 174.62 173.44 1a67 s THR 96 N -3.28 -0.14 0.59 0.00 2.01 0.00 -0.13 115.64 114.69 1a67 s THR 96 Ca 0.10 0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.16 1a67 s THR 96 Cb -0.01 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1a67 s THR 96 CO -0.01 -0.02 0.99 -0.36 -0.69 0.00 0.00 174.62 174.53 1a67 s PHE 97 N 2.18 3.60 -0.12 4.92 0.08 0.33 -0.76 117.98 128.22 1a67 s PHE 97 Ca 0.04 1.24 -0.01 0.00 0.12 0.00 0.00 56.93 58.31 1a67 s PHE 97 Cb -0.14 -2.67 0.03 0.00 -0.57 0.00 0.00 43.02 39.68 1a67 s PHE 97 CO -0.06 -0.60 -0.04 0.08 -0.10 0.00 0.00 175.22 174.50 1a67 s VAL 98 N -3.06 0.78 0.34 -0.44 1.01 -1.19 -1.49 120.40 116.35 1a67 s VAL 98 Ca 0.54 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 1a67 s VAL 98 Cb -0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1a67 s VAL 98 CO 0.50 0.24 0.55 -0.69 0.00 0.00 0.00 175.10 175.70 1a67 s VAL 99 N 1.80 5.10 0.13 2.92 1.01 0.03 -1.77 120.40 129.61 1a67 s VAL 99 Ca 0.04 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.74 1a67 s VAL 99 Cb -0.13 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1a67 s VAL 99 CO -0.07 -0.52 -0.24 -0.47 0.00 0.00 0.00 175.10 173.79 1a67 s TYR 100 N -2.28 2.12 -0.42 5.22 5.04 -0.67 -0.98 117.35 125.39 1a67 s TYR 100 Ca 0.40 -0.39 0.04 0.00 -2.44 0.00 0.00 57.07 54.68 1a67 s TYR 100 Cb -0.10 -1.13 0.17 0.00 0.35 0.00 0.00 41.96 41.25 1a67 s TYR 100 CO 0.35 0.32 0.42 0.45 -1.34 0.00 0.00 175.55 175.75 1a67 s SER 101 N -2.12 0.87 -0.22 4.32 0.15 0.74 -1.13 113.70 116.31 1a67 s SER 101 Ca 0.13 -2.34 -0.29 0.00 0.70 0.00 0.00 55.95 54.14 1a67 s SER 101 Cb -0.10 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1a67 s SER 101 CO 0.06 -0.18 1.87 -0.63 1.20 0.00 0.00 173.24 175.56 1a67 s ILE 102 N 0.66 3.37 -0.05 6.45 1.01 0.12 -1.58 121.20 131.19 1a67 s ILE 102 Ca 0.27 0.41 0.12 0.00 0.00 0.00 0.00 60.65 61.45 1a67 s ILE 102 Cb -0.04 -3.42 -0.08 0.00 0.01 0.00 0.00 42.46 38.92 1a67 s ILE 102 CO -0.11 -0.22 1.24 1.55 0.00 0.00 0.00 174.94 177.40 1a67 h PRO 103 N 12.41 0.00 0.00 2.79 0.13 -1.85 -1.58 132.00 143.91 1a67 h PRO 103 Ca -0.38 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.63 1a67 h PRO 103 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1a67 h PRO 103 CO 0.99 0.64 -0.60 0.11 -0.23 0.00 0.00 178.00 178.91 1a67 h TRP 104 N 0.00 0.00 -0.01 1.56 0.09 -1.88 -3.30 115.95 112.41 1a67 h TRP 104 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.93 1a67 h TRP 104 Cb 1.60 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.84 1a67 h TRP 104 CO 0.00 0.60 -0.14 1.28 0.09 0.00 0.00 178.44 180.27 1a67 n LEU 105 N -3.46 1.04 -2.39 0.11 7.99 -1.25 -5.03 117.00 114.01 1a67 n LEU 105 Ca 0.00 -0.78 -0.02 0.00 -0.01 0.00 0.00 56.01 55.21 1a67 n LEU 105 Cb 0.69 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 44.01 1a67 n LEU 105 CO 0.41 0.22 0.15 -3.20 -1.51 0.00 0.00 177.39 173.46 1a67 n ASN 106 N -0.28 -5.08 -3.76 -1.43 2.85 -0.88 -5.07 115.26 101.61 1a67 n ASN 106 Ca 0.03 -0.12 -0.13 0.00 -0.11 0.00 0.00 54.58 54.25 1a67 n ASN 106 Cb 0.15 -3.34 -0.09 0.00 1.24 0.00 0.00 39.78 37.74 1a67 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a67 s GLN 107 N -3.17 0.63 0.32 1.20 -2.07 -0.65 -5.01 119.66 110.91 1a67 s GLN 107 Ca 0.06 -0.07 0.10 0.00 -1.82 0.00 0.00 55.36 53.63 1a67 s GLN 107 Cb -0.01 0.28 -0.06 0.00 -1.09 0.00 0.00 33.01 32.14 1a67 s GLN 107 CO 0.41 -0.16 -0.11 -1.50 -1.32 0.00 0.00 175.29 172.62 1a67 s ILE 108 N -1.06 2.47 0.09 3.63 2.07 -1.26 0.15 121.20 127.28 1a67 s ILE 108 Ca -0.11 -2.22 -0.03 0.00 -1.41 0.00 0.00 60.65 56.88 1a67 s ILE 108 Cb -0.05 -2.57 0.01 0.00 0.13 0.00 0.00 42.46 39.99 1a67 s ILE 108 CO 0.04 -0.28 0.16 0.29 -1.91 0.00 0.00 174.94 173.24 1a67 n LYS 109 N -0.77 0.23 -3.35 3.50 4.76 -0.29 -4.94 118.16 117.31 1a67 n LYS 109 Ca -0.05 -0.52 -0.21 0.00 -2.87 0.00 0.00 58.31 54.66 1a67 n LYS 109 Cb 0.62 0.61 -0.09 0.00 -1.84 0.00 0.00 35.03 34.34 1a67 n LYS 109 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1a67 s LEU 110 N 0.00 0.39 0.03 -0.35 1.98 -1.26 -1.67 118.68 117.80 1a67 s LEU 110 Ca 0.04 -2.05 -0.06 0.00 -2.89 0.00 0.00 54.13 49.17 1a67 s LEU 110 Cb -0.01 0.22 -0.01 0.00 0.66 0.00 0.00 46.19 47.05 1a67 s LEU 110 CO 0.03 -0.24 1.08 -0.11 -1.89 0.00 0.00 176.35 175.22 1a67 n LEU 111 N 3.81 -0.21 0.00 -0.68 7.94 -0.73 -4.91 117.00 122.23 1a67 n LEU 111 Ca 0.16 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 1a67 n LEU 111 Cb 0.44 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1a67 n LEU 111 CO 0.09 -0.67 0.00 1.21 -1.11 0.00 0.00 177.39 176.91 1a67 n GLU 112 N -3.42 -0.16 -2.56 1.96 4.07 -1.26 -5.03 120.64 114.25 1a67 n GLU 112 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.68 1a67 n GLU 112 Cb 0.05 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.41 1a67 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1a67 s SER 113 N 0.00 6.52 -0.48 4.31 1.04 -1.26 -3.14 113.70 120.68 1a67 s SER 113 Ca 0.00 0.37 -0.20 0.00 0.48 0.00 0.00 55.95 56.60 1a67 s SER 113 Cb 0.00 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.61 1a67 s SER 113 CO 0.00 -1.37 0.63 -0.54 0.98 0.00 0.00 173.24 172.94 1a67 s LYS 114 N 4.73 3.18 0.29 4.02 1.02 0.06 -4.82 119.74 128.22 1a67 s LYS 114 Ca 0.48 -0.66 0.09 0.00 0.02 0.00 0.00 55.97 55.90 1a67 s LYS 114 Cb -0.08 -4.03 -0.06 0.00 -0.52 0.00 0.00 37.83 33.14 1a67 s LYS 114 CO 0.30 -1.13 -0.12 0.00 -0.92 0.00 0.00 175.35 173.47