#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 s SER 2 N 0.00 5.88 0.58 1.61 0.01 -1.26 -5.07 113.70 115.45 2cr5 s SER 2 Ca 0.00 -3.22 -0.14 0.00 1.31 0.00 0.00 55.95 53.90 2cr5 s SER 2 Cb 0.00 -1.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 2cr5 s SER 2 CO 0.00 -0.32 1.02 -0.44 0.41 0.00 0.00 173.24 173.91 2cr5 s SER 3 N 0.60 6.23 0.00 2.44 0.01 -1.26 -5.07 113.70 116.66 2cr5 s SER 3 Ca 0.22 1.55 0.00 0.00 1.31 0.00 0.00 55.95 59.03 2cr5 s SER 3 Cb -0.13 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2cr5 s SER 3 CO -0.08 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.32 2cr5 n GLY 4 N -1.97 -2.45 3.52 3.44 0.00 -1.26 -4.88 105.19 101.59 2cr5 n GLY 4 Ca 0.07 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2cr5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 5 N -1.64 6.18 0.89 1.61 0.01 -1.26 -5.01 113.70 114.48 2cr5 s SER 5 Ca 0.00 -0.57 -0.13 0.00 1.31 0.00 0.00 55.95 56.56 2cr5 s SER 5 Cb 0.00 -2.52 0.16 0.00 0.21 0.00 0.00 66.02 63.88 2cr5 s SER 5 CO 0.00 -1.70 1.23 -0.44 0.41 0.00 0.00 173.24 172.74 2cr5 s SER 6 N 3.67 3.59 0.74 2.44 0.01 -1.26 -5.07 113.70 117.81 2cr5 s SER 6 Ca 0.32 0.25 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 2cr5 s SER 6 Cb -0.11 -0.44 0.04 0.00 0.21 0.00 0.00 66.02 65.73 2cr5 s SER 6 CO 0.14 -2.42 1.11 -0.83 0.41 0.00 0.00 173.24 171.65 2cr5 s GLY 7 N -4.80 1.62 -0.18 3.44 0.00 -1.26 -5.06 107.32 101.07 2cr5 s GLY 7 Ca 0.70 -0.51 -0.07 0.00 0.00 0.00 0.00 44.72 44.84 2cr5 s GLY 7 CO 0.51 -0.11 0.06 -1.83 0.00 0.00 0.00 173.10 171.74 2cr5 s GLU 8 N -5.41 3.93 -0.10 2.90 1.03 -1.26 -5.09 118.70 114.70 2cr5 s GLU 8 Ca 0.59 -0.33 -0.08 0.00 0.03 0.00 0.00 54.97 55.18 2cr5 s GLU 8 Cb -0.11 -3.20 0.03 0.00 -0.80 0.00 0.00 34.13 30.04 2cr5 s GLU 8 CO 0.50 0.31 0.25 0.08 -1.33 0.00 0.00 175.26 175.07 2cr5 s VAL 9 N 0.26 -0.00 0.72 1.83 1.01 -1.26 -5.16 120.40 117.80 2cr5 s VAL 9 Ca 0.04 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 2cr5 s VAL 9 Cb -0.12 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.92 2cr5 s VAL 9 CO 0.00 0.01 1.10 -2.16 0.00 0.00 0.00 175.10 174.05 2cr5 s PRO 10 N 0.26 2.52 -0.01 2.72 0.04 -1.26 -5.07 135.00 134.20 2cr5 s PRO 10 Ca -0.01 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2cr5 s PRO 10 Cb -0.03 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.60 2cr5 s PRO 10 CO -0.01 -1.45 -0.01 -0.51 0.04 0.00 0.00 177.00 175.06 2cr5 s ASP 11 N -2.99 0.21 0.31 6.66 1.11 -1.26 -5.09 116.67 115.62 2cr5 s ASP 11 Ca 0.64 -0.02 -0.14 0.00 0.18 0.00 0.00 52.55 53.22 2cr5 s ASP 11 Cb -0.19 -0.06 -0.08 0.00 1.07 0.00 0.00 42.92 43.65 2cr5 s ASP 11 CO 0.49 -0.02 0.70 -0.76 1.18 0.00 0.00 175.17 176.76 2cr5 s LEU 12 N 0.31 4.07 0.05 1.23 1.43 -1.26 -5.03 118.68 119.48 2cr5 s LEU 12 Ca -0.03 1.20 -0.31 0.00 -1.03 0.00 0.00 54.13 53.96 2cr5 s LEU 12 Cb -0.05 -4.00 -0.07 0.00 0.03 0.00 0.00 46.19 42.11 2cr5 s LEU 12 CO -0.01 -0.19 1.40 -2.16 0.23 0.00 0.00 176.35 175.62 2cr5 s PRO 13 N -3.01 4.30 -0.34 1.29 0.04 -1.26 -4.87 135.00 131.14 2cr5 s PRO 13 Ca 0.53 2.02 -0.34 0.00 0.04 0.00 0.00 61.00 63.25 2cr5 s PRO 13 Cb -0.10 -3.43 -0.15 0.00 0.04 0.00 0.00 34.50 30.86 2cr5 s PRO 13 CO 0.19 -0.51 1.14 0.39 0.04 0.00 0.00 177.00 178.25 2cr5 n GLU 14 N 4.73 0.00 -1.67 4.56 -0.58 -1.26 -4.77 120.64 121.65 2cr5 n GLU 14 Ca 0.12 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.45 2cr5 n GLU 14 Cb 0.43 -1.09 0.01 0.00 -0.57 0.00 0.00 31.44 30.22 2cr5 n GLU 14 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2cr5 n GLU 15 N 2.81 1.69 -1.14 3.49 4.71 -1.26 -4.98 120.64 125.96 2cr5 n GLU 15 Ca 0.22 0.60 -0.29 0.00 -0.01 0.00 0.00 57.16 57.69 2cr5 n GLU 15 Cb -0.04 -2.26 0.19 0.00 -1.01 0.00 0.00 31.44 28.32 2cr5 n GLU 15 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2cr5 s PRO 16 N -2.17 -0.04 0.81 3.49 0.04 -1.26 -5.06 135.00 130.81 2cr5 s PRO 16 Ca 0.62 0.36 -0.05 0.00 0.04 0.00 0.00 61.00 61.97 2cr5 s PRO 16 Cb -0.52 -1.70 0.17 0.00 0.04 0.00 0.00 34.50 32.49 2cr5 s PRO 16 CO 0.57 -3.01 1.11 -1.12 0.04 0.00 0.00 177.00 174.59 2cr5 s SER 17 N -3.55 3.82 0.24 6.66 0.01 -1.26 -4.81 113.70 114.81 2cr5 s SER 17 Ca 0.67 -0.31 0.24 0.00 1.31 0.00 0.00 55.95 57.85 2cr5 s SER 17 Cb -0.17 0.12 0.38 0.00 0.21 0.00 0.00 66.02 66.57 2cr5 s SER 17 CO 0.57 -2.23 1.45 1.05 0.41 0.00 0.00 173.24 174.48 2cr5 h GLU 18 N -0.92 0.00 0.00 12.44 4.11 -1.99 -3.31 114.58 124.91 2cr5 h GLU 18 Ca -0.37 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.79 2cr5 h GLU 18 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2cr5 h GLU 18 CO 0.36 0.00 -2.04 0.25 0.07 0.00 0.00 179.01 177.65 2cr5 n THR 19 N -2.51 1.22 -1.60 -1.06 -2.24 -1.26 -4.96 114.28 101.88 2cr5 n THR 19 Ca 0.03 -0.77 -0.55 0.00 -2.27 0.00 0.00 64.05 60.49 2cr5 n THR 19 Cb 0.48 -0.57 -0.07 0.00 -2.10 0.00 0.00 70.33 68.08 2cr5 n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cr5 n ALA 20 N -2.59 -1.35 -1.04 6.98 0.00 -1.25 -4.92 120.51 116.35 2cr5 n ALA 20 Ca -0.22 0.51 -0.28 0.00 0.00 0.00 0.00 53.44 53.45 2cr5 n ALA 20 Cb 1.01 -2.04 0.20 0.00 0.00 0.00 0.00 19.45 18.62 2cr5 n ALA 20 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2cr5 s GLU 21 N 0.99 -0.02 -1.61 0.00 2.02 -1.26 -3.74 118.70 115.08 2cr5 s GLU 21 Ca 0.89 0.52 -0.08 0.00 0.02 0.00 0.00 54.97 56.32 2cr5 s GLU 21 Cb -1.05 -1.68 0.08 0.00 0.10 0.00 0.00 34.13 31.57 2cr5 s GLU 21 CO 0.53 -3.04 0.39 0.39 0.02 0.00 0.00 175.26 173.55 2cr5 n GLU 22 N -4.39 -2.00 -4.08 1.61 1.02 -1.26 -4.85 120.64 106.70 2cr5 n GLU 22 Ca 0.05 0.24 -0.21 0.00 -0.02 0.00 0.00 57.16 57.22 2cr5 n GLU 22 Cb 0.57 -4.36 -0.17 0.00 -0.02 0.00 0.00 31.44 27.46 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2cr5 s VAL 23 N -3.84 0.56 0.44 2.62 1.01 -1.25 0.68 120.40 120.63 2cr5 s VAL 23 Ca 0.31 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.27 2cr5 s VAL 23 Cb -0.17 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 2cr5 s VAL 23 CO 0.96 0.25 0.34 0.68 0.00 0.00 0.00 175.10 177.33 2cr5 s VAL 24 N 1.19 2.38 -0.38 2.92 -7.23 -0.65 -4.91 120.40 113.72 2cr5 s VAL 24 Ca -0.07 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 58.63 2cr5 s VAL 24 Cb -0.14 -2.84 0.10 0.00 0.56 0.00 0.00 36.38 34.06 2cr5 s VAL 24 CO -0.01 0.00 0.14 -0.89 -0.31 0.00 0.00 175.10 174.02 2cr5 s THR 25 N -2.56 3.07 -0.10 5.32 2.01 -1.26 -1.16 115.64 120.96 2cr5 s THR 25 Ca 0.44 -1.97 -0.05 0.00 0.31 0.00 0.00 61.69 60.43 2cr5 s THR 25 Cb -0.01 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 2cr5 s THR 25 CO 0.25 -0.56 0.09 -0.69 -0.69 0.00 0.00 174.62 173.03 2cr5 s VAL 26 N 1.13 5.08 -0.07 3.82 1.01 0.24 -3.12 120.40 128.49 2cr5 s VAL 26 Ca 0.06 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2cr5 s VAL 26 Cb -0.22 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 32.98 2cr5 s VAL 26 CO -0.04 0.60 -0.12 0.00 0.00 0.00 0.00 175.10 175.54 2cr5 s ALA 27 N -0.99 1.26 -0.12 5.51 0.00 -1.20 -0.25 121.76 125.97 2cr5 s ALA 27 Ca 0.15 -0.43 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 2cr5 s ALA 27 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2cr5 s ALA 27 CO 0.04 0.04 0.42 -0.51 0.00 0.00 0.00 175.76 175.75 2cr5 s LEU 28 N 0.81 4.28 -0.33 0.00 1.43 0.14 -0.81 118.68 124.20 2cr5 s LEU 28 Ca -0.12 0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 53.62 2cr5 s LEU 28 Cb -0.15 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.47 2cr5 s LEU 28 CO 0.02 0.05 0.16 -0.13 0.23 0.00 0.00 176.35 176.67 2cr5 s ARG 29 N 0.48 3.15 0.42 1.70 0.52 -0.23 -1.36 118.95 123.63 2cr5 s ARG 29 Ca 0.23 -0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 54.42 2cr5 s ARG 29 Cb -0.15 -3.58 -0.10 0.00 0.52 0.00 0.00 34.95 31.65 2cr5 s ARG 29 CO 0.09 -0.50 0.89 0.00 0.02 0.00 0.00 175.30 175.80 2cr5 n PRO 31 N -0.79 0.39 0.04 0.00 -0.04 -1.26 -2.26 135.00 131.07 2cr5 n PRO 31 Ca 0.06 0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 2cr5 n PRO 31 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2cr5 n PRO 31 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2cr5 h ASN 32 N 0.00 0.00 0.00 3.54 -0.73 -1.97 -3.48 115.58 112.94 2cr5 h ASN 32 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2cr5 h ASN 32 Cb 0.05 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.64 2cr5 h ASN 32 CO 0.00 0.66 0.00 0.61 -0.37 0.00 0.00 177.43 178.33 2cr5 n GLY 33 N 1.40 1.00 3.79 1.57 0.00 -0.96 -5.12 105.19 106.87 2cr5 n GLY 33 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N 0.00 2.55 -0.06 1.61 1.81 -1.26 -4.86 118.95 118.73 2cr5 s ARG 34 Ca 0.00 1.12 -0.03 0.00 -1.72 0.00 0.00 55.73 55.11 2cr5 s ARG 34 Cb 0.00 -1.93 0.04 0.00 -0.45 0.00 0.00 34.95 32.60 2cr5 s ARG 34 CO 0.00 -1.42 0.13 0.08 -0.68 0.00 0.00 175.30 173.41 2cr5 s VAL 35 N -2.88 -0.12 -0.15 3.52 1.01 -1.26 -2.02 120.40 118.50 2cr5 s VAL 35 Ca 0.61 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.81 2cr5 s VAL 35 Cb -0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2cr5 s VAL 35 CO 0.54 0.11 -0.01 -0.76 0.00 0.00 0.00 175.10 174.97 2cr5 s LEU 36 N 1.59 3.42 -0.09 3.92 1.43 -0.46 -4.96 118.68 123.53 2cr5 s LEU 36 Ca -0.04 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2cr5 s LEU 36 Cb -0.12 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2cr5 s LEU 36 CO -0.05 0.21 -0.12 -0.13 0.23 0.00 0.00 176.35 176.49 2cr5 s ARG 37 N 0.12 2.91 0.04 1.70 0.52 -1.26 0.25 118.95 123.24 2cr5 s ARG 37 Ca 0.01 -0.66 -0.18 0.00 -0.52 0.00 0.00 55.73 54.37 2cr5 s ARG 37 Cb -0.13 -2.52 0.04 0.00 0.52 0.00 0.00 34.95 32.85 2cr5 s ARG 37 CO 0.02 0.46 0.41 1.03 0.02 0.00 0.00 175.30 177.25 2cr5 s ARG 38 N -0.30 0.90 0.31 3.54 0.52 0.65 -4.98 118.95 119.60 2cr5 s ARG 38 Ca 0.03 -0.33 -0.07 0.00 -0.52 0.00 0.00 55.73 54.84 2cr5 s ARG 38 Cb -0.13 0.40 -0.06 0.00 0.52 0.00 0.00 34.95 35.69 2cr5 s ARG 38 CO 0.03 -0.31 0.61 1.03 0.02 0.00 0.00 175.30 176.68 2cr5 s ARG 39 N -2.35 3.69 -0.21 3.54 0.52 -1.26 -0.59 118.95 122.29 2cr5 s ARG 39 Ca -0.06 0.16 -0.10 0.00 -0.52 0.00 0.00 55.73 55.21 2cr5 s ARG 39 Cb -0.01 -2.58 0.08 0.00 0.52 0.00 0.00 34.95 32.95 2cr5 s ARG 39 CO -0.01 0.17 0.50 -0.06 0.02 0.00 0.00 175.30 175.91 2cr5 s PHE 40 N -2.11 -0.83 1.01 -0.53 0.40 -0.31 -4.43 117.98 111.17 2cr5 s PHE 40 Ca 0.46 1.64 -0.15 0.00 -0.60 0.00 0.00 56.93 58.28 2cr5 s PHE 40 Cb -0.11 0.41 0.03 0.00 0.51 0.00 0.00 43.02 43.86 2cr5 s PHE 40 CO 0.29 -0.46 0.09 1.19 0.70 0.00 0.00 175.22 177.03 2cr5 n PHE 41 N 4.72 -1.83 1.21 0.36 3.72 -1.26 -1.64 117.46 122.74 2cr5 n PHE 41 Ca -0.17 0.20 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 2cr5 n PHE 41 Cb 0.54 -1.67 0.28 0.00 -0.94 0.00 0.00 39.48 37.69 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -1.20 1.45 -0.05 -1.08 5.02 0.22 -4.02 118.16 118.50 2cr5 n LYS 42 Ca 0.04 -1.02 -0.08 0.00 -2.02 0.00 0.00 58.31 55.22 2cr5 n LYS 42 Cb 0.57 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.96 2cr5 n LYS 42 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2cr5 n SER 43 N 0.12 0.52 -4.39 4.39 2.88 -1.26 -3.67 113.62 112.21 2cr5 n SER 43 Ca 0.14 0.25 -0.32 0.00 -1.33 0.00 0.00 58.87 57.61 2cr5 n SER 43 Cb 0.43 0.41 0.18 0.00 -0.75 0.00 0.00 64.21 64.47 2cr5 n SER 43 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2cr5 n TRP 44 N -2.90 -1.20 -4.59 0.66 8.01 -1.26 -4.66 117.44 111.51 2cr5 n TRP 44 Ca -0.22 0.12 -0.34 0.00 -1.31 0.00 0.00 57.50 55.75 2cr5 n TRP 44 Cb 1.07 -1.69 -0.12 0.00 -2.01 0.00 0.00 31.31 28.56 2cr5 n TRP 44 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 2cr5 s ASN 45 N -2.08 4.64 0.35 -0.99 3.84 -1.26 -1.55 114.94 117.90 2cr5 s ASN 45 Ca 0.60 -0.06 0.27 0.00 0.21 0.00 0.00 52.86 53.88 2cr5 s ASN 45 Cb -0.18 -1.33 1.18 0.00 -0.55 0.00 0.00 41.25 40.37 2cr5 s ASN 45 CO 0.66 0.31 1.20 -1.54 -2.79 0.00 0.00 177.10 174.93 2cr5 n SER 46 N 2.59 0.13 -0.28 -4.21 3.41 -1.26 0.63 113.62 114.63 2cr5 n SER 46 Ca -0.18 1.01 0.04 0.00 -0.26 0.00 0.00 58.87 59.48 2cr5 n SER 46 Cb 0.53 -0.50 0.12 0.00 -0.26 0.00 0.00 64.21 64.10 2cr5 n SER 46 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2cr5 h GLN 47 N 0.00 0.02 -1.16 4.33 5.75 -1.90 0.67 115.11 122.82 2cr5 h GLN 47 Ca 0.68 -0.00 0.33 0.00 -0.15 0.00 0.00 58.65 59.51 2cr5 h GLN 47 Cb 2.31 -0.00 -0.09 0.00 1.07 0.00 0.00 27.48 30.76 2cr5 h GLN 47 CO -0.30 0.01 0.77 -0.24 -2.65 0.00 0.00 178.83 176.42 2cr5 h VAL 48 N 0.02 0.39 0.01 2.39 3.04 -0.21 0.41 116.25 122.30 2cr5 h VAL 48 Ca 0.41 -0.08 0.02 0.00 -1.01 0.00 0.00 66.70 66.04 2cr5 h VAL 48 Cb 0.65 0.14 -0.03 0.00 -2.01 0.00 0.00 31.29 30.04 2cr5 h VAL 48 CO -0.81 0.04 -0.17 -0.07 -1.01 0.00 0.00 177.57 175.56 2cr5 h LEU 49 N 0.23 -0.48 -0.97 3.16 3.38 0.20 -1.89 115.31 118.94 2cr5 h LEU 49 Ca 0.65 0.07 0.29 0.00 0.09 0.00 0.00 57.88 58.98 2cr5 h LEU 49 Cb 1.97 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 42.78 2cr5 h LEU 49 CO -0.26 -0.23 0.49 -0.07 0.09 0.00 0.00 178.44 178.46 2cr5 h LEU 50 N -0.28 0.41 -0.25 1.67 3.38 -0.96 0.26 115.31 119.55 2cr5 h LEU 50 Ca 0.05 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2cr5 h LEU 50 Cb 0.34 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2cr5 h LEU 50 CO -0.15 -0.10 0.04 -0.78 0.09 0.00 0.00 178.44 177.54 2cr5 h ASP 51 N 0.34 0.40 -0.25 -0.43 3.58 -1.37 -2.50 116.42 116.19 2cr5 h ASP 51 Ca 0.67 -0.26 0.02 0.00 0.42 0.00 0.00 57.03 57.88 2cr5 h ASP 51 Cb 1.45 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.38 2cr5 h ASP 51 CO -0.60 0.56 0.17 -0.25 -2.88 0.00 0.00 179.24 176.24 2cr5 h TRP 52 N 0.22 0.25 -0.28 0.28 7.01 -0.06 -2.07 115.95 121.30 2cr5 h TRP 52 Ca 0.07 0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.98 2cr5 h TRP 52 Cb 0.33 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2cr5 h TRP 52 CO 0.02 0.15 -0.22 1.98 -2.79 0.00 0.00 178.44 177.59 2cr5 h MET 53 N 0.26 0.64 0.00 2.65 4.05 -0.86 -2.75 114.93 118.92 2cr5 h MET 53 Ca 0.10 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2cr5 h MET 53 Cb 0.07 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 2cr5 h MET 53 CO -0.02 0.91 0.00 0.52 0.23 0.00 0.00 176.91 178.55 2cr5 h MET 54 N 0.38 0.00 0.02 0.39 2.86 -0.68 -1.19 114.93 116.70 2cr5 h MET 54 Ca 0.05 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2cr5 h MET 54 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2cr5 h MET 54 CO 0.06 0.00 -0.16 -0.22 1.06 0.00 0.00 176.91 177.64 2cr5 h LYS 55 N 0.00 0.08 -0.05 1.72 1.63 -1.19 -3.28 116.57 115.49 2cr5 h LYS 55 Ca 0.00 -0.11 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2cr5 h LYS 55 Cb 0.21 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2cr5 h LYS 55 CO 0.00 0.96 0.04 -0.39 -3.45 0.00 0.00 179.45 176.61 2cr5 h VAL 56 N -0.75 0.80 0.00 2.00 -1.51 -1.26 -3.45 116.25 112.09 2cr5 h VAL 56 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 2cr5 h VAL 56 Cb 1.03 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 2cr5 h VAL 56 CO 0.03 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 2cr5 n GLY 57 N -1.47 1.84 3.14 5.19 0.00 -1.07 -5.14 105.19 107.67 2cr5 n GLY 57 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -1.84 1.45 0.24 1.61 1.51 -0.48 -5.01 117.35 114.83 2cr5 s TYR 58 Ca 0.00 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2cr5 s TYR 58 Cb 0.00 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 2cr5 s TYR 58 CO 0.00 -0.04 0.44 -1.58 -1.11 0.00 0.00 175.55 173.25 2cr5 s HIS 59 N -0.31 3.48 0.09 2.71 2.46 -1.26 -1.88 115.29 120.59 2cr5 s HIS 59 Ca 0.05 0.39 -0.13 0.00 0.47 0.00 0.00 55.06 55.83 2cr5 s HIS 59 Cb -0.07 -1.89 -0.18 0.00 -0.13 0.00 0.00 32.58 30.31 2cr5 s HIS 59 CO -0.00 0.31 1.27 1.57 -2.47 0.00 0.00 174.74 175.42 2cr5 h LYS 60 N 1.77 0.77 0.00 2.88 2.10 -1.88 -1.21 116.57 121.00 2cr5 h LYS 60 Ca -0.48 -0.69 0.00 0.00 -2.00 0.00 0.00 60.65 57.48 2cr5 h LYS 60 Cb 1.20 0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 2cr5 h LYS 60 CO 0.67 1.28 0.00 -1.13 -2.00 0.00 0.00 179.45 178.27 2cr5 n SER 61 N -3.91 0.00 -0.02 7.07 3.41 -1.26 -2.47 113.62 116.44 2cr5 n SER 61 Ca -0.09 -0.40 -0.02 0.00 -0.26 0.00 0.00 58.87 58.11 2cr5 n SER 61 Cb 0.79 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.65 2cr5 n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2cr5 n LEU 62 N -1.05 0.00 -4.21 1.04 4.77 -1.12 -4.88 117.00 111.55 2cr5 n LEU 62 Ca 0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 2cr5 n LEU 62 Cb 0.07 0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 2cr5 n LEU 62 CO 0.10 0.10 -0.28 -0.31 -1.33 0.00 0.00 177.39 175.67 2cr5 s TYR 63 N -2.13 1.12 0.12 -1.77 1.51 -0.47 -1.51 117.35 114.22 2cr5 s TYR 63 Ca -0.02 -1.23 0.00 0.00 -1.01 0.00 0.00 57.07 54.81 2cr5 s TYR 63 Cb 0.01 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 2cr5 s TYR 63 CO 0.18 -0.47 0.00 -0.98 -1.11 0.00 0.00 175.55 173.18 2cr5 s ARG 64 N -4.05 0.90 -0.22 -0.62 1.70 0.01 -4.39 118.95 112.27 2cr5 s ARG 64 Ca 0.30 -1.40 -0.12 0.00 -0.47 0.00 0.00 55.73 54.04 2cr5 s ARG 64 Cb 0.07 0.02 -0.05 0.00 -0.57 0.00 0.00 34.95 34.42 2cr5 s ARG 64 CO 0.07 -0.15 0.23 -0.51 -1.08 0.00 0.00 175.30 173.86 2cr5 s LEU 65 N -3.06 4.14 0.34 -1.89 1.43 -1.26 -2.03 118.68 116.35 2cr5 s LEU 65 Ca 0.18 0.25 0.10 0.00 -1.03 0.00 0.00 54.13 53.63 2cr5 s LEU 65 Cb 0.07 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 2cr5 s LEU 65 CO -0.01 0.04 -0.07 -0.55 0.23 0.00 0.00 176.35 175.98 2cr5 s SER 66 N 0.97 3.85 0.65 2.29 0.15 -1.20 -2.81 113.70 117.61 2cr5 s SER 66 Ca 0.11 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2cr5 s SER 66 Cb -0.14 -0.40 0.09 0.00 -1.71 0.00 0.00 66.02 63.86 2cr5 s SER 66 CO 0.05 -0.19 0.91 0.42 1.20 0.00 0.00 173.24 175.62 2cr5 s THR 67 N -2.58 2.33 0.71 6.45 -4.23 -1.07 -2.62 115.64 114.63 2cr5 s THR 67 Ca 0.33 -0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 60.14 2cr5 s THR 67 Cb 0.01 -2.70 0.06 0.00 1.34 0.00 0.00 72.50 71.20 2cr5 s THR 67 CO 0.17 0.00 1.03 -0.94 -0.54 0.00 0.00 174.62 174.34 2cr5 s SER 68 N -4.62 4.87 -0.16 3.99 1.04 -1.14 -3.98 113.70 113.70 2cr5 s SER 68 Ca 0.63 0.55 -0.39 0.00 0.48 0.00 0.00 55.95 57.21 2cr5 s SER 68 Cb -0.07 -1.22 -0.16 0.00 0.10 0.00 0.00 66.02 64.67 2cr5 s SER 68 CO 0.42 -1.58 1.61 2.22 0.98 0.00 0.00 173.24 176.89 2cr5 n PHE 69 N -2.95 1.87 -2.18 5.02 -1.74 -1.26 -2.73 117.46 113.49 2cr5 n PHE 69 Ca 0.08 0.58 -0.42 0.00 -0.56 0.00 0.00 57.45 57.12 2cr5 n PHE 69 Cb 0.60 -2.41 -0.03 0.00 1.52 0.00 0.00 39.48 39.16 2cr5 n PHE 69 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2cr5 s PRO 70 N 2.55 4.28 0.27 3.97 0.04 -1.26 -5.12 135.00 139.73 2cr5 s PRO 70 Ca 0.94 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.71 2cr5 s PRO 70 Cb -1.04 -3.54 -0.10 0.00 0.04 0.00 0.00 34.50 29.87 2cr5 s PRO 70 CO 0.60 -0.58 1.26 0.50 0.04 0.00 0.00 177.00 178.82 2cr5 s ARG 71 N 2.27 4.44 -0.17 4.56 3.00 -1.11 -4.84 118.95 127.10 2cr5 s ARG 71 Ca 0.65 2.06 -0.16 0.00 -1.00 0.00 0.00 55.73 57.28 2cr5 s ARG 71 Cb -0.33 -3.14 0.05 0.00 0.00 0.00 0.00 34.95 31.52 2cr5 s ARG 71 CO 0.28 -0.11 0.46 0.50 0.00 0.00 0.00 175.30 176.42 2cr5 s ARG 72 N -1.14 0.53 -0.48 5.12 6.06 -1.26 -4.97 118.95 122.82 2cr5 s ARG 72 Ca 0.50 0.64 -0.27 0.00 -2.50 0.00 0.00 55.73 54.10 2cr5 s ARG 72 Cb -0.37 0.25 -0.02 0.00 0.06 0.00 0.00 34.95 34.88 2cr5 s ARG 72 CO 0.45 -0.07 1.83 0.00 -2.50 0.00 0.00 175.30 175.01 2cr5 s ALA 73 N 0.27 2.48 0.29 6.12 0.00 -1.26 -2.59 121.76 127.06 2cr5 s ALA 73 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 2cr5 s ALA 73 Cb -0.03 -4.17 -0.06 0.00 0.00 0.00 0.00 23.12 18.86 2cr5 s ALA 73 CO 0.00 -3.33 0.59 -0.51 0.00 0.00 0.00 175.76 172.51 2cr5 s LEU 74 N 8.10 4.06 -0.22 0.00 2.01 -1.12 -5.02 118.68 126.48 2cr5 s LEU 74 Ca 0.73 0.85 -0.02 0.00 0.01 0.00 0.00 54.13 55.70 2cr5 s LEU 74 Cb -0.17 -3.66 0.07 0.00 0.01 0.00 0.00 46.19 42.44 2cr5 s LEU 74 CO 0.27 -0.19 0.03 -1.61 1.01 0.00 0.00 176.35 175.86 2cr5 s GLU 75 N -3.34 0.85 0.58 1.70 2.02 -1.26 -4.42 118.70 114.83 2cr5 s GLU 75 Ca 0.46 -0.64 -0.15 0.00 0.02 0.00 0.00 54.97 54.67 2cr5 s GLU 75 Cb -0.11 -2.18 -0.13 0.00 0.10 0.00 0.00 34.13 31.81 2cr5 s GLU 75 CO 0.27 -0.69 -0.32 1.33 0.02 0.00 0.00 175.26 175.87 2cr5 n VAL 76 N 4.94 0.00 -3.98 2.63 0.24 -1.26 -4.96 118.33 115.95 2cr5 n VAL 76 Ca -0.08 -0.42 -0.30 0.00 -2.04 0.00 0.00 64.34 61.50 2cr5 n VAL 76 Cb 0.46 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.66 2cr5 n VAL 76 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2cr5 s GLU 77 N -1.15 1.99 -0.77 7.34 2.12 -1.26 -5.04 118.70 121.93 2cr5 s GLU 77 Ca 0.42 -0.62 -0.23 0.00 0.36 0.00 0.00 54.97 54.90 2cr5 s GLU 77 Cb -0.32 -2.15 -0.17 0.00 0.26 0.00 0.00 34.13 31.75 2cr5 s GLU 77 CO 0.61 -0.34 1.89 0.41 -0.54 0.00 0.00 175.26 177.29 2cr5 n GLY 78 N 4.77 1.95 0.00 -1.50 0.00 -1.26 -2.60 105.19 106.56 2cr5 n GLY 78 Ca -0.15 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2cr5 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr5 n GLY 79 N 4.86 1.98 3.75 -0.02 0.00 -1.26 -5.13 105.19 109.37 2cr5 n GLY 79 Ca 0.48 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 2cr5 n GLY 79 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr5 s SER 80 N 0.00 7.51 0.80 1.61 0.15 -1.07 -5.05 113.70 117.65 2cr5 s SER 80 Ca 0.00 1.80 -0.12 0.00 0.70 0.00 0.00 55.95 58.33 2cr5 s SER 80 Cb 0.00 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.81 2cr5 s SER 80 CO 0.00 0.10 1.11 -0.94 1.20 0.00 0.00 173.24 174.71 2cr5 s SER 81 N -0.77 4.55 0.20 5.45 1.04 -1.26 -4.01 113.70 118.90 2cr5 s SER 81 Ca 0.41 1.14 -0.10 0.00 0.48 0.00 0.00 55.95 57.89 2cr5 s SER 81 Cb -0.24 -1.84 0.25 0.00 0.10 0.00 0.00 66.02 64.29 2cr5 s SER 81 CO 0.29 -1.92 1.77 -0.07 0.98 0.00 0.00 173.24 174.29 2cr5 h LEU 82 N -1.05 0.33 -0.65 2.42 3.38 -1.45 -0.14 115.31 118.16 2cr5 h LEU 82 Ca -0.47 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 2cr5 h LEU 82 Cb 1.28 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2cr5 h LEU 82 CO 0.62 0.21 -0.27 1.05 0.09 0.00 0.00 178.44 180.13 2cr5 h GLU 83 N 0.49 0.00 -0.19 1.13 4.11 -1.70 0.46 114.58 118.88 2cr5 h GLU 83 Ca 0.29 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.54 2cr5 h GLU 83 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2cr5 h GLU 83 CO -0.25 0.27 -0.61 -0.44 0.07 0.00 0.00 179.01 178.05 2cr5 h ASP 84 N 0.00 0.73 0.76 3.06 5.19 -1.39 -3.17 116.42 121.60 2cr5 h ASP 84 Ca -0.00 -0.42 -0.19 0.00 -0.62 0.00 0.00 57.03 55.80 2cr5 h ASP 84 Cb 0.96 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 2cr5 h ASP 84 CO 0.04 1.17 -0.90 0.16 -3.12 0.00 0.00 179.24 176.59 2cr5 h ILE 85 N 0.48 1.57 0.00 0.35 3.07 -1.07 -3.47 117.51 118.45 2cr5 h ILE 85 Ca -0.01 -2.87 0.00 0.00 1.55 0.00 0.00 64.86 63.54 2cr5 h ILE 85 Cb 1.19 2.58 0.00 0.00 -0.27 0.00 0.00 36.82 40.32 2cr5 h ILE 85 CO 0.12 0.83 0.00 0.61 -1.05 0.00 0.00 178.15 178.66 2cr5 n GLY 86 N 0.98 0.00 2.16 0.16 0.00 -1.04 -5.06 105.19 102.39 2cr5 n GLY 86 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 2.30 0.22 -0.61 2.08 0.16 -4.76 119.36 118.74 2cr5 n ILE 87 Ca 0.00 -3.98 0.10 0.00 0.56 0.00 0.00 62.75 59.44 2cr5 n ILE 87 Cb 0.00 -0.69 0.33 0.00 -0.75 0.00 0.00 39.64 38.53 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2cr5 h THR 88 N 2.80 0.35 -3.50 1.39 1.35 -1.76 -3.35 112.91 110.20 2cr5 h THR 88 Ca 0.28 -1.20 -0.38 0.00 -0.55 0.00 0.00 66.41 64.56 2cr5 h THR 88 Cb 1.49 1.92 -0.17 0.00 -1.73 0.00 0.00 68.15 69.66 2cr5 h THR 88 CO 0.65 0.17 -0.74 0.68 -0.25 0.00 0.00 175.52 176.03 2cr5 s VAL 89 N -3.38 1.26 -0.16 6.82 -7.23 -1.26 -4.90 120.40 111.54 2cr5 s VAL 89 Ca 0.03 -1.83 -0.42 0.00 -1.81 0.00 0.00 61.98 57.95 2cr5 s VAL 89 Cb 0.08 -1.62 -0.20 0.00 0.56 0.00 0.00 36.38 35.20 2cr5 s VAL 89 CO 0.65 -0.54 1.24 -0.90 -0.31 0.00 0.00 175.10 175.25 2cr5 n ASP 90 N 0.28 0.39 -4.12 4.85 5.75 -1.26 -4.85 116.55 117.59 2cr5 n ASP 90 Ca -0.14 1.17 -0.09 0.00 -0.01 0.00 0.00 54.79 55.73 2cr5 n ASP 90 Cb 0.58 -0.91 -0.10 0.00 -1.03 0.00 0.00 41.12 39.66 2cr5 n ASP 90 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2cr5 s THR 91 N 0.98 0.25 -0.12 2.12 -1.32 -1.18 -4.97 115.64 111.40 2cr5 s THR 91 Ca 0.96 -1.86 0.01 0.00 -1.21 0.00 0.00 61.69 59.59 2cr5 s THR 91 Cb -1.34 -1.73 -0.01 0.00 -1.51 0.00 0.00 72.50 67.91 2cr5 s THR 91 CO 0.65 -0.80 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.41 2cr5 s VAL 92 N -3.92 2.68 0.11 5.08 1.01 -1.26 -3.26 120.40 120.84 2cr5 s VAL 92 Ca 0.14 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2cr5 s VAL 92 Cb 0.07 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2cr5 s VAL 92 CO -0.05 0.54 0.10 -0.76 0.00 0.00 0.00 175.10 174.93 2cr5 s LEU 93 N 0.40 3.80 -0.22 3.92 1.43 0.01 -2.89 118.68 125.14 2cr5 s LEU 93 Ca -0.13 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2cr5 s LEU 93 Cb -0.17 -2.46 0.06 0.00 0.03 0.00 0.00 46.19 43.66 2cr5 s LEU 93 CO 0.06 0.13 -0.00 0.20 0.23 0.00 0.00 176.35 176.97 2cr5 s ASN 94 N -2.67 3.39 -0.43 2.29 0.01 -1.08 -1.07 114.94 115.38 2cr5 s ASN 94 Ca 0.30 -1.02 -0.27 0.00 -0.71 0.00 0.00 52.86 51.15 2cr5 s ASN 94 Cb -0.11 -0.88 -0.03 0.00 0.41 0.00 0.00 41.25 40.64 2cr5 s ASN 94 CO 0.23 -0.28 1.94 -0.69 -1.51 0.00 0.00 177.10 176.79 2cr5 s VAL 95 N 1.63 3.33 0.22 1.60 1.01 -0.79 -3.22 120.40 124.19 2cr5 s VAL 95 Ca -0.03 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.30 2cr5 s VAL 95 Cb -0.18 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2cr5 s VAL 95 CO -0.08 -0.48 0.17 -0.70 0.00 0.00 0.00 175.10 174.02 2cr5 s GLU 96 N 6.52 2.90 -0.12 2.72 2.56 -0.86 -4.41 118.70 128.00 2cr5 s GLU 96 Ca 0.80 -1.00 -0.29 0.00 0.00 0.00 0.00 54.97 54.48 2cr5 s GLU 96 Cb -0.19 -2.58 -0.02 0.00 2.00 0.00 0.00 34.13 33.33 2cr5 s GLU 96 CO 0.29 0.43 1.22 -1.21 -0.56 0.00 0.00 175.26 175.43 2cr5 s GLU 97 N -3.57 4.29 0.63 4.30 2.02 -1.26 -0.81 118.70 124.30 2cr5 s GLU 97 Ca 0.32 1.65 -0.18 0.00 0.02 0.00 0.00 54.97 56.78 2cr5 s GLU 97 Cb -0.09 -3.67 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 2cr5 s GLU 97 CO 0.24 -0.59 1.20 1.63 0.02 0.00 0.00 175.26 177.77 2cr5 n LYS 98 N 5.98 1.07 -2.50 1.61 5.02 -0.57 -4.87 118.16 123.90 2cr5 n LYS 98 Ca 0.12 0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 56.42 2cr5 n LYS 98 Cb 0.45 -2.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.01 2cr5 n LYS 98 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2cr5 s GLU 99 N -3.18 3.18 0.36 1.97 -6.30 -1.26 -4.95 118.70 108.51 2cr5 s GLU 99 Ca 0.80 -0.07 0.04 0.00 -2.50 0.00 0.00 54.97 53.25 2cr5 s GLU 99 Cb -0.39 -4.18 -0.06 0.00 0.00 0.00 0.00 34.13 29.50 2cr5 s GLU 99 CO 0.42 -2.14 0.05 -0.65 0.02 0.00 0.00 175.26 172.97 2cr5 s GLN 100 N 5.76 1.77 -0.20 4.30 -0.21 -1.26 -5.16 119.66 124.66 2cr5 s GLN 100 Ca 0.40 -2.01 -0.10 0.00 0.02 0.00 0.00 55.36 53.67 2cr5 s GLN 100 Cb -0.09 -1.02 0.07 0.00 1.00 0.00 0.00 33.01 32.97 2cr5 s GLN 100 CO 0.17 -0.20 0.48 0.45 -2.12 0.00 0.00 175.29 174.07 2cr5 s SER 101 N -3.56 -0.59 -0.65 5.90 0.15 -1.26 -5.04 113.70 108.65 2cr5 s SER 101 Ca 0.33 1.07 -0.01 0.00 0.70 0.00 0.00 55.95 58.04 2cr5 s SER 101 Cb 0.08 1.06 0.44 0.00 -1.71 0.00 0.00 66.02 65.89 2cr5 s SER 101 CO 0.15 -0.21 1.95 -0.24 1.20 0.00 0.00 173.24 176.09 2cr5 n SER 102 N 4.52 7.40 -3.19 5.45 2.88 -1.26 -4.95 113.62 124.47 2cr5 n SER 102 Ca -0.20 -3.79 -0.09 0.00 -1.33 0.00 0.00 58.87 53.46 2cr5 n SER 102 Cb 0.55 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2cr5 n SER 102 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cr5 s GLN 103 N -3.83 2.08 0.16 -1.46 1.03 -1.26 -5.19 119.66 111.20 2cr5 s GLN 103 Ca 0.62 -1.38 -0.23 0.00 0.04 0.00 0.00 55.36 54.41 2cr5 s GLN 103 Cb 0.49 0.60 0.07 0.00 0.03 0.00 0.00 33.01 34.20 2cr5 s GLN 103 CO -0.04 -0.96 1.03 -1.54 -2.54 0.00 0.00 175.29 171.24 2cr5 s SER 104 N -3.06 -0.06 0.00 12.60 1.04 -1.26 -5.08 113.70 117.88 2cr5 s SER 104 Ca 0.17 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2cr5 s SER 104 Cb -0.05 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2cr5 s SER 104 CO 0.11 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.02 2cr5 n GLY 105 N -0.62 0.67 3.77 7.32 0.00 -1.26 -5.13 105.19 109.94 2cr5 n GLY 105 Ca -0.04 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2cr5 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr5 s PRO 106 N 0.00 4.27 -0.05 1.61 0.04 -1.26 -5.05 135.00 134.56 2cr5 s PRO 106 Ca 0.00 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2cr5 s PRO 106 Cb 0.00 -2.92 0.02 0.00 0.04 0.00 0.00 34.50 31.65 2cr5 s PRO 106 CO 0.00 -0.18 -0.02 0.45 0.04 0.00 0.00 177.00 177.29 2cr5 s SER 107 N -0.84 1.13 -0.01 6.66 0.15 -1.26 -5.14 113.70 114.38 2cr5 s SER 107 Ca 0.52 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 57.06 2cr5 s SER 107 Cb -0.34 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.51 2cr5 s SER 107 CO 0.45 -0.11 0.09 -0.44 1.20 0.00 0.00 173.24 174.43 2cr5 s SER 108 N 1.32 5.78 0.00 5.45 0.01 -1.26 -5.35 113.70 119.65 2cr5 s SER 108 Ca -0.05 0.18 0.17 0.00 1.31 0.00 0.00 55.95 57.56 2cr5 s SER 108 Cb -0.13 -1.69 0.13 0.00 0.21 0.00 0.00 66.02 64.54 2cr5 s SER 108 CO -0.02 0.28 1.02 0.61 0.41 0.00 0.00 173.24 175.54