#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 3.91 0.21 1.61 0.15 -1.26 -5.12 113.70 113.20 2cr5 s SER 2 Ca 0.00 -1.17 0.06 0.00 0.70 0.00 0.00 55.95 55.54 2cr5 s SER 2 Cb 0.00 -1.30 -0.04 0.00 -1.71 0.00 0.00 66.02 62.97 2cr5 s SER 2 CO 0.00 -0.20 0.21 -0.44 1.20 0.00 0.00 173.24 174.01 2cr5 s SER 3 N 1.31 5.71 0.00 5.45 0.01 -1.26 -5.11 113.70 119.81 2cr5 s SER 3 Ca -0.06 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2cr5 s SER 3 Cb -0.18 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.52 2cr5 s SER 3 CO -0.06 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2cr5 n GLY 4 N -0.88 0.68 3.44 3.44 0.00 -1.26 -4.85 105.19 105.76 2cr5 n GLY 4 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 2cr5 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr5 s SER 5 N -1.00 7.01 -0.59 1.61 1.04 -1.26 -4.97 113.70 115.53 2cr5 s SER 5 Ca 0.00 -2.88 -0.26 0.00 0.48 0.00 0.00 55.95 53.29 2cr5 s SER 5 Cb 0.00 -2.37 -0.06 0.00 0.10 0.00 0.00 66.02 63.69 2cr5 s SER 5 CO 0.00 -0.74 2.22 -0.55 0.98 0.00 0.00 173.24 175.16 2cr5 s SER 6 N 2.75 4.64 0.00 7.02 0.15 -1.26 -4.30 113.70 122.70 2cr5 s SER 6 Ca 0.38 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.64 2cr5 s SER 6 Cb -0.05 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2cr5 s SER 6 CO -0.03 -2.87 0.00 0.61 1.20 0.00 0.00 173.24 172.14 2cr5 n GLY 7 N 6.09 0.85 3.60 9.45 0.00 -1.26 -4.87 105.19 119.04 2cr5 n GLY 7 Ca 0.34 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 2cr5 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cr5 n GLU 8 N 0.00 1.13 -3.82 1.61 2.13 -1.26 -5.02 120.64 115.41 2cr5 n GLU 8 Ca 0.00 0.42 -0.12 0.00 0.66 0.00 0.00 57.16 58.11 2cr5 n GLU 8 Cb 0.00 -2.04 -0.13 0.00 0.27 0.00 0.00 31.44 29.54 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2cr5 s VAL 9 N -1.40 -0.01 1.01 6.31 1.01 -1.26 -4.74 120.40 121.33 2cr5 s VAL 9 Ca 0.67 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.55 2cr5 s VAL 9 Cb -0.50 -0.17 0.20 0.00 0.00 0.00 0.00 36.38 35.90 2cr5 s VAL 9 CO 0.54 0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.58 2cr5 s PRO 10 N 0.18 0.33 0.19 2.72 0.04 -1.26 -5.09 135.00 132.12 2cr5 s PRO 10 Ca -0.01 0.49 0.03 0.00 0.04 0.00 0.00 61.00 61.55 2cr5 s PRO 10 Cb -0.02 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 2cr5 s PRO 10 CO -0.00 -2.79 -0.02 0.16 0.04 0.00 0.00 177.00 174.38 2cr5 s ASP 11 N -3.45 1.54 0.13 6.66 -4.77 -1.26 -5.13 116.67 110.39 2cr5 s ASP 11 Ca 0.66 -1.16 -0.03 0.00 -3.30 0.00 0.00 52.55 48.71 2cr5 s ASP 11 Cb -0.19 0.05 -0.05 0.00 -1.09 0.00 0.00 42.92 41.65 2cr5 s ASP 11 CO 0.58 -0.50 0.34 -0.76 0.70 0.00 0.00 175.17 175.53 2cr5 s LEU 12 N -3.22 4.28 1.11 2.11 1.43 -1.26 -5.10 118.68 118.04 2cr5 s LEU 12 Ca 0.24 0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 53.69 2cr5 s LEU 12 Cb 0.05 -3.23 0.24 0.00 0.03 0.00 0.00 46.19 43.29 2cr5 s LEU 12 CO 0.05 0.07 1.10 -2.16 0.23 0.00 0.00 176.35 175.64 2cr5 s PRO 13 N -2.67 -0.47 -0.13 1.29 0.04 -1.26 -4.95 135.00 126.85 2cr5 s PRO 13 Ca 0.40 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.35 2cr5 s PRO 13 Cb -0.12 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 2cr5 s PRO 13 CO 0.26 -3.27 1.36 -1.21 0.04 0.00 0.00 177.00 174.19 2cr5 s GLU 14 N -5.19 4.23 0.32 4.56 0.41 -1.26 -4.97 118.70 116.80 2cr5 s GLU 14 Ca 0.68 1.81 -0.29 0.00 -0.41 0.00 0.00 54.97 56.76 2cr5 s GLU 14 Cb -0.14 -3.80 -0.11 0.00 -1.78 0.00 0.00 34.13 28.29 2cr5 s GLU 14 CO 0.57 -0.73 1.54 -2.00 -0.49 0.00 0.00 175.26 174.16 2cr5 s GLU 15 N 3.53 4.13 0.39 1.61 2.12 -1.26 -4.96 118.70 124.27 2cr5 s GLU 15 Ca 0.60 2.56 -0.26 0.00 0.36 0.00 0.00 54.97 58.23 2cr5 s GLU 15 Cb -0.25 -3.01 -0.09 0.00 0.26 0.00 0.00 34.13 31.05 2cr5 s GLU 15 CO 0.19 -0.58 1.19 -1.25 -0.54 0.00 0.00 175.26 174.28 2cr5 s PRO 16 N -1.11 4.07 0.42 4.30 0.04 -1.26 -5.01 135.00 136.45 2cr5 s PRO 16 Ca 0.59 1.90 -0.24 0.00 0.04 0.00 0.00 61.00 63.30 2cr5 s PRO 16 Cb -0.47 -2.72 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 2cr5 s PRO 16 CO 0.53 -0.32 1.07 0.45 0.04 0.00 0.00 177.00 178.77 2cr5 s SER 17 N -1.04 6.62 0.32 6.66 0.15 -1.26 -4.78 113.70 120.36 2cr5 s SER 17 Ca 0.56 2.09 0.10 0.00 0.70 0.00 0.00 55.95 59.40 2cr5 s SER 17 Cb -0.32 -2.59 0.94 0.00 -1.71 0.00 0.00 66.02 62.34 2cr5 s SER 17 CO 0.41 -0.59 1.65 1.05 1.20 0.00 0.00 173.24 176.96 2cr5 h GLU 18 N 2.36 0.27 0.00 5.44 4.11 -2.00 1.28 114.58 126.03 2cr5 h GLU 18 Ca -0.49 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 58.86 2cr5 h GLU 18 Cb 1.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2cr5 h GLU 18 CO 0.62 0.18 -0.35 1.79 0.07 0.00 0.00 179.01 181.32 2cr5 h THR 19 N 0.27 0.74 -1.10 -1.06 1.35 -2.00 -3.46 112.91 107.65 2cr5 h THR 19 Ca 0.66 -1.54 -0.68 0.00 -0.55 0.00 0.00 66.41 64.30 2cr5 h THR 19 Cb 1.45 2.00 0.10 0.00 -1.73 0.00 0.00 68.15 69.97 2cr5 h THR 19 CO -0.63 0.34 -0.39 0.00 -0.25 0.00 0.00 175.52 174.58 2cr5 n ALA 20 N -2.25 -2.80 -2.15 6.62 0.00 0.44 -4.92 120.51 115.45 2cr5 n ALA 20 Ca 0.01 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 2cr5 n ALA 20 Cb 0.54 -1.66 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.88 3.82 -1.34 0.00 0.41 -1.26 -4.13 118.70 115.31 2cr5 s GLU 21 Ca 0.68 0.53 -0.06 0.00 -0.41 0.00 0.00 54.97 55.71 2cr5 s GLU 21 Cb -0.96 -2.38 0.02 0.00 -1.78 0.00 0.00 34.13 29.03 2cr5 s GLU 21 CO 0.56 -0.03 1.02 0.39 -0.49 0.00 0.00 175.26 176.71 2cr5 n GLU 22 N -1.20 -6.66 -4.38 1.61 1.02 -1.26 -4.89 120.64 104.88 2cr5 n GLU 22 Ca 0.03 0.76 -0.21 0.00 -0.02 0.00 0.00 57.16 57.71 2cr5 n GLU 22 Cb 0.54 -5.69 -0.16 0.00 -0.02 0.00 0.00 31.44 26.11 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 -3.38 0.80 0.41 2.62 1.01 -1.26 -0.10 120.40 120.50 2cr5 s VAL 23 Ca 0.36 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2cr5 s VAL 23 Cb -0.17 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 2cr5 s VAL 23 CO 0.76 0.26 0.17 0.68 0.00 0.00 0.00 175.10 176.97 2cr5 s VAL 24 N 0.43 2.30 -0.47 2.92 -7.23 -0.44 -4.91 120.40 113.01 2cr5 s VAL 24 Ca -0.07 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 2cr5 s VAL 24 Cb -0.11 -3.00 0.11 0.00 0.56 0.00 0.00 36.38 33.94 2cr5 s VAL 24 CO 0.01 -0.01 0.36 -0.89 -0.31 0.00 0.00 175.10 174.26 2cr5 s THR 25 N -2.60 4.42 -0.49 5.32 2.01 -1.26 -0.97 115.64 122.07 2cr5 s THR 25 Ca 0.41 -1.64 -0.15 0.00 0.31 0.00 0.00 61.69 60.62 2cr5 s THR 25 Cb 0.04 -3.85 0.09 0.00 0.01 0.00 0.00 72.50 68.80 2cr5 s THR 25 CO 0.22 -0.73 0.41 -0.69 -0.69 0.00 0.00 174.62 173.14 2cr5 s VAL 26 N 1.42 5.12 0.23 3.82 1.01 -0.46 -2.24 120.40 129.31 2cr5 s VAL 26 Ca 0.05 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 60.70 2cr5 s VAL 26 Cb -0.26 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 2cr5 s VAL 26 CO 0.01 -0.65 0.57 0.00 0.00 0.00 0.00 175.10 175.02 2cr5 s ALA 27 N 1.61 3.54 -0.13 5.51 0.00 -1.11 -3.34 121.76 127.84 2cr5 s ALA 27 Ca 0.04 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.78 2cr5 s ALA 27 Cb -0.26 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.40 2cr5 s ALA 27 CO 0.05 0.49 -0.19 -0.51 0.00 0.00 0.00 175.76 175.60 2cr5 s LEU 28 N -2.79 1.97 -0.27 0.00 1.43 0.70 -0.20 118.68 119.51 2cr5 s LEU 28 Ca 0.48 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 2cr5 s LEU 28 Cb -0.11 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2cr5 s LEU 28 CO 0.21 0.05 0.37 -0.13 0.23 0.00 0.00 176.35 177.08 2cr5 s ARG 29 N 0.91 4.01 0.40 1.70 0.52 -0.90 -1.20 118.95 124.39 2cr5 s ARG 29 Ca -0.06 0.02 -0.16 0.00 -0.52 0.00 0.00 55.73 55.01 2cr5 s ARG 29 Cb -0.15 -3.66 -0.09 0.00 0.52 0.00 0.00 34.95 31.57 2cr5 s ARG 29 CO -0.02 -0.28 0.85 0.00 0.02 0.00 0.00 175.30 175.86 2cr5 n PRO 31 N -0.81 0.48 -0.04 0.00 -0.04 -1.26 -2.17 135.00 131.17 2cr5 n PRO 31 Ca 0.05 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 2cr5 n PRO 31 Cb 0.54 -1.46 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 2cr5 n PRO 31 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cr5 n ASN 32 N -0.96 0.18 0.00 3.54 4.13 -1.26 -5.00 115.26 115.88 2cr5 n ASN 32 Ca 0.11 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.44 2cr5 n ASN 32 Cb 0.05 1.15 0.00 0.00 -1.54 0.00 0.00 39.78 39.44 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cr5 n GLY 33 N 1.52 1.12 3.74 7.41 0.00 -0.92 -5.12 105.19 112.94 2cr5 n GLY 33 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 1.83 -0.09 1.61 0.52 -1.26 -4.81 118.95 116.74 2cr5 s ARG 34 Ca 0.00 1.16 -0.02 0.00 -0.52 0.00 0.00 55.73 56.35 2cr5 s ARG 34 Cb 0.00 -1.85 0.03 0.00 0.52 0.00 0.00 34.95 33.66 2cr5 s ARG 34 CO 0.00 -1.94 0.02 0.08 0.02 0.00 0.00 175.30 173.47 2cr5 s VAL 35 N -2.86 0.33 -0.26 3.52 1.01 -1.26 -1.69 120.40 119.18 2cr5 s VAL 35 Ca 0.63 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 2cr5 s VAL 35 Cb -0.18 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2cr5 s VAL 35 CO 0.57 0.17 0.17 -0.76 0.00 0.00 0.00 175.10 175.25 2cr5 s LEU 36 N 1.99 4.04 -0.03 3.92 1.43 -0.34 -4.94 118.68 124.74 2cr5 s LEU 36 Ca 0.04 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2cr5 s LEU 36 Cb -0.13 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 2cr5 s LEU 36 CO -0.05 -0.00 0.10 -0.13 0.23 0.00 0.00 176.35 176.49 2cr5 s ARG 37 N 1.47 3.17 -0.14 1.70 0.52 -1.26 -0.21 118.95 124.19 2cr5 s ARG 37 Ca 0.07 -0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 54.60 2cr5 s ARG 37 Cb -0.15 -2.94 0.09 0.00 0.52 0.00 0.00 34.95 32.47 2cr5 s ARG 37 CO 0.08 0.68 0.81 0.50 0.02 0.00 0.00 175.30 177.39 2cr5 s ARG 38 N -1.55 0.84 0.36 3.54 3.52 -1.21 -5.01 118.95 119.43 2cr5 s ARG 38 Ca 0.21 0.40 -0.08 0.00 -0.13 0.00 0.00 55.73 56.13 2cr5 s ARG 38 Cb -0.12 0.40 -0.06 0.00 -1.56 0.00 0.00 34.95 33.61 2cr5 s ARG 38 CO 0.12 -0.22 0.68 1.03 -0.81 0.00 0.00 175.30 176.09 2cr5 s ARG 39 N -0.74 3.71 -0.21 5.12 0.52 -1.26 -1.35 118.95 124.74 2cr5 s ARG 39 Ca -0.05 0.26 -0.10 0.00 -0.52 0.00 0.00 55.73 55.32 2cr5 s ARG 39 Cb -0.02 -2.50 0.08 0.00 0.52 0.00 0.00 34.95 33.03 2cr5 s ARG 39 CO 0.04 0.07 0.49 -0.06 0.02 0.00 0.00 175.30 175.86 2cr5 s PHE 40 N -2.26 -0.80 1.01 -0.53 0.08 -0.14 -4.52 117.98 110.83 2cr5 s PHE 40 Ca 0.48 1.60 -0.14 0.00 0.12 0.00 0.00 56.93 58.99 2cr5 s PHE 40 Cb -0.10 0.39 0.11 0.00 -0.57 0.00 0.00 43.02 42.84 2cr5 s PHE 40 CO 0.31 -0.44 0.53 1.19 -0.10 0.00 0.00 175.22 176.71 2cr5 n PHE 41 N 4.65 -0.98 1.32 0.36 3.72 -1.26 -1.32 117.46 123.95 2cr5 n PHE 41 Ca -0.18 0.19 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 2cr5 n PHE 41 Cb 0.54 -1.76 0.37 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 -2.70 1.85 -0.02 -1.08 5.02 0.86 -3.93 118.16 118.17 2cr5 n LYS 42 Ca 0.06 -1.27 0.00 0.00 -2.02 0.00 0.00 58.31 55.08 2cr5 n LYS 42 Cb 0.55 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.96 2cr5 n LYS 42 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2cr5 n SER 43 N 0.54 0.39 -4.68 4.39 3.41 -1.26 -3.64 113.62 112.77 2cr5 n SER 43 Ca 0.17 0.17 -0.32 0.00 -0.26 0.00 0.00 58.87 58.63 2cr5 n SER 43 Cb 0.44 0.88 0.16 0.00 -0.26 0.00 0.00 64.21 65.43 2cr5 n SER 43 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2cr5 s TRP 44 N -2.96 1.64 -0.13 7.33 0.51 -1.25 -4.72 118.94 119.35 2cr5 s TRP 44 Ca -0.06 1.77 -0.11 0.00 -2.12 0.00 0.00 56.10 55.58 2cr5 s TRP 44 Cb 0.09 -3.39 -0.05 0.00 -0.81 0.00 0.00 33.47 29.32 2cr5 s TRP 44 CO 0.84 -2.85 0.22 1.21 -0.51 0.00 0.00 176.95 175.86 2cr5 s ASN 45 N -2.53 6.42 0.38 2.95 3.84 -1.26 -1.38 114.94 123.36 2cr5 s ASN 45 Ca 0.68 0.50 0.32 0.00 0.21 0.00 0.00 52.86 54.57 2cr5 s ASN 45 Cb -0.24 -2.13 1.21 0.00 -0.55 0.00 0.00 41.25 39.54 2cr5 s ASN 45 CO 0.56 0.25 1.16 -1.54 -2.79 0.00 0.00 177.10 174.75 2cr5 n SER 46 N 2.78 0.07 -0.21 -4.21 3.41 -1.26 0.49 113.62 114.69 2cr5 n SER 46 Ca -0.16 0.87 -0.03 0.00 -0.26 0.00 0.00 58.87 59.28 2cr5 n SER 46 Cb 0.53 -0.43 0.03 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.11 -1.45 4.33 5.75 -1.92 0.31 115.11 122.01 2cr5 h GLN 47 Ca 0.68 0.01 0.47 0.00 -0.15 0.00 0.00 58.65 59.66 2cr5 h GLN 47 Cb 2.51 0.02 -0.12 0.00 1.07 0.00 0.00 27.48 30.96 2cr5 h GLN 47 CO -0.16 -0.07 0.96 -0.24 -2.65 0.00 0.00 178.83 176.68 2cr5 h VAL 48 N -0.11 0.07 0.54 2.39 3.04 -0.36 0.20 116.25 122.03 2cr5 h VAL 48 Ca 0.26 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 65.92 2cr5 h VAL 48 Cb 0.53 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 2cr5 h VAL 48 CO -0.68 0.01 -0.39 -0.07 -1.01 0.00 0.00 177.57 175.43 2cr5 h LEU 49 N 0.04 -1.01 -1.75 3.16 3.38 -0.54 -0.93 115.31 117.65 2cr5 h LEU 49 Ca 0.85 0.07 0.28 0.00 0.09 0.00 0.00 57.88 59.17 2cr5 h LEU 49 Cb 2.86 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 43.87 2cr5 h LEU 49 CO -0.35 -0.58 0.70 -0.07 0.09 0.00 0.00 178.44 178.23 2cr5 h LEU 50 N -0.91 0.18 -0.07 1.67 3.38 -0.68 0.88 115.31 119.77 2cr5 h LEU 50 Ca -0.06 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2cr5 h LEU 50 Cb 0.76 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2cr5 h LEU 50 CO 0.03 0.05 -0.15 0.44 0.09 0.00 0.00 178.44 178.89 2cr5 h ASP 51 N 0.17 0.25 -0.07 -0.43 3.32 -1.20 -2.85 116.42 115.61 2cr5 h ASP 51 Ca 0.52 -0.58 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2cr5 h ASP 51 Cb 1.74 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.20 2cr5 h ASP 51 CO -0.11 0.78 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.89 2cr5 h TRP 52 N -0.27 0.29 -0.14 4.55 7.01 0.41 -2.07 115.95 125.74 2cr5 h TRP 52 Ca 0.00 -0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.88 2cr5 h TRP 52 Cb 0.74 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 2cr5 h TRP 52 CO 0.12 0.34 -0.35 1.98 -2.79 0.00 0.00 178.44 177.73 2cr5 h MET 53 N 0.28 0.28 0.00 2.65 4.05 -0.97 -2.34 114.93 118.88 2cr5 h MET 53 Ca 0.06 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2cr5 h MET 53 Cb 0.27 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 2cr5 h MET 53 CO 0.01 0.60 0.00 0.52 0.23 0.00 0.00 176.91 178.27 2cr5 h MET 54 N 0.24 0.00 0.20 0.39 2.86 -0.86 -1.76 114.93 116.00 2cr5 h MET 54 Ca 0.03 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.35 2cr5 h MET 54 Cb 0.74 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.43 2cr5 h MET 54 CO 0.06 0.00 -1.50 -0.22 1.06 0.00 0.00 176.91 176.31 2cr5 h LYS 55 N 0.00 0.43 0.00 1.72 1.63 -1.21 -3.31 116.57 115.83 2cr5 h LYS 55 Ca 0.00 -0.73 -0.02 0.00 -0.85 0.00 0.00 60.65 59.05 2cr5 h LYS 55 Cb 0.63 0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2cr5 h LYS 55 CO 0.00 1.35 -0.09 -0.39 -3.45 0.00 0.00 179.45 176.87 2cr5 h VAL 56 N 0.01 0.70 0.00 2.00 -1.51 -1.46 -3.45 116.25 112.55 2cr5 h VAL 56 Ca -0.28 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2cr5 h VAL 56 Cb 2.03 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 32.41 2cr5 h VAL 56 CO 0.20 0.09 0.00 0.61 -1.23 0.00 0.00 177.57 177.24 2cr5 n GLY 57 N -1.00 1.76 2.84 5.19 0.00 -1.20 -5.14 105.19 107.64 2cr5 n GLY 57 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.80 -0.15 0.60 1.61 2.02 -0.67 -5.03 117.35 113.92 2cr5 s TYR 58 Ca 0.00 0.54 -0.09 0.00 -0.37 0.00 0.00 57.07 57.14 2cr5 s TYR 58 Cb 0.00 -0.23 -0.03 0.00 -0.40 0.00 0.00 41.96 41.30 2cr5 s TYR 58 CO 0.00 -0.23 0.97 -1.58 -1.57 0.00 0.00 175.55 173.14 2cr5 s HIS 59 N 1.95 3.54 -0.13 2.71 2.46 -1.26 -2.16 115.29 122.40 2cr5 s HIS 59 Ca -0.00 1.10 -0.27 0.00 0.47 0.00 0.00 55.06 56.35 2cr5 s HIS 59 Cb -0.12 -2.67 -0.24 0.00 -0.13 0.00 0.00 32.58 29.42 2cr5 s HIS 59 CO -0.05 -0.67 0.74 1.57 -2.47 0.00 0.00 174.74 173.86 2cr5 h LYS 60 N -0.23 -0.00 0.00 2.88 2.10 -1.86 -0.27 116.57 119.19 2cr5 h LYS 60 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2cr5 h LYS 60 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2cr5 h LYS 60 CO 0.62 0.91 0.00 0.45 -2.00 0.00 0.00 179.45 179.43 2cr5 n SER 61 N -4.63 0.00 -0.00 7.07 2.88 -1.26 -1.26 113.62 116.42 2cr5 n SER 61 Ca -0.09 0.36 0.03 0.00 -1.33 0.00 0.00 58.87 57.84 2cr5 n SER 61 Cb 0.44 -0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 63.46 2cr5 n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2cr5 n LEU 62 N -1.39 0.06 -3.88 2.46 4.77 -1.23 -5.02 117.00 112.78 2cr5 n LEU 62 Ca 0.02 -0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.78 2cr5 n LEU 62 Cb 0.05 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.02 2cr5 n LEU 62 CO 0.04 0.02 -0.26 -0.31 -1.33 0.00 0.00 177.39 175.54 2cr5 s TYR 63 N -2.25 0.02 0.39 -1.77 2.02 -0.11 -3.81 117.35 111.83 2cr5 s TYR 63 Ca -0.01 -0.03 0.08 0.00 -0.37 0.00 0.00 57.07 56.73 2cr5 s TYR 63 Cb 0.04 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 2cr5 s TYR 63 CO 0.26 -0.14 0.24 1.03 -1.57 0.00 0.00 175.55 175.38 2cr5 s ARG 64 N -0.65 2.38 0.25 -0.62 0.52 -1.12 -4.21 118.95 115.49 2cr5 s ARG 64 Ca -0.07 -1.65 0.09 0.00 -0.52 0.00 0.00 55.73 53.58 2cr5 s ARG 64 Cb -0.04 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 2cr5 s ARG 64 CO 0.00 -0.08 -0.03 -0.51 0.02 0.00 0.00 175.30 174.70 2cr5 s LEU 65 N -3.97 3.13 0.33 2.53 1.43 -1.26 -3.36 118.68 117.51 2cr5 s LEU 65 Ca 0.43 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 2cr5 s LEU 65 Cb -0.00 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.56 2cr5 s LEU 65 CO 0.25 0.03 0.72 -0.55 0.23 0.00 0.00 176.35 177.02 2cr5 s SER 66 N -3.47 -0.07 -0.08 2.29 0.15 -1.13 -2.76 113.70 108.63 2cr5 s SER 66 Ca 0.30 -0.92 0.02 0.00 0.70 0.00 0.00 55.95 56.05 2cr5 s SER 66 Cb -0.07 0.77 -0.02 0.00 -1.71 0.00 0.00 66.02 64.99 2cr5 s SER 66 CO 0.19 -1.48 -0.13 0.42 1.20 0.00 0.00 173.24 173.44 2cr5 s THR 67 N -3.18 3.16 1.00 6.45 -4.23 -1.16 -2.30 115.64 115.39 2cr5 s THR 67 Ca 0.15 -0.66 -0.20 0.00 -1.18 0.00 0.00 61.69 59.80 2cr5 s THR 67 Cb -0.05 -2.28 -0.14 0.00 1.34 0.00 0.00 72.50 71.37 2cr5 s THR 67 CO 0.10 0.56 -0.89 -0.24 -0.54 0.00 0.00 174.62 173.61 2cr5 n SER 68 N 2.77 -4.77 -3.84 3.99 2.88 -1.07 -3.55 113.62 110.03 2cr5 n SER 68 Ca -0.18 0.13 -0.53 0.00 -1.33 0.00 0.00 58.87 56.96 2cr5 n SER 68 Cb 0.52 -0.73 -0.08 0.00 -0.75 0.00 0.00 64.21 63.18 2cr5 n SER 68 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2cr5 n PHE 69 N -2.93 1.13 -2.24 0.66 -1.74 -1.26 -3.80 117.46 107.27 2cr5 n PHE 69 Ca -0.01 0.92 -0.41 0.00 -0.56 0.00 0.00 57.45 57.39 2cr5 n PHE 69 Cb 0.62 -1.80 -0.03 0.00 1.52 0.00 0.00 39.48 39.79 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 1.60 4.43 -0.35 3.97 0.04 -1.26 -5.11 135.00 138.32 2cr5 s PRO 70 Ca 0.82 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.65 2cr5 s PRO 70 Cb -1.17 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 30.24 2cr5 s PRO 70 CO 0.60 -0.12 0.98 0.50 0.04 0.00 0.00 177.00 179.00 2cr5 s ARG 71 N -1.00 3.92 -0.02 4.56 3.52 -1.23 -4.61 118.95 124.09 2cr5 s ARG 71 Ca 0.51 0.75 -0.04 0.00 -0.13 0.00 0.00 55.73 56.82 2cr5 s ARG 71 Cb -0.37 -3.78 0.00 0.00 -1.56 0.00 0.00 34.95 29.25 2cr5 s ARG 71 CO 0.44 -0.94 0.10 0.50 -0.81 0.00 0.00 175.30 174.59 2cr5 s ARG 72 N 3.56 0.25 -0.40 5.12 3.00 -1.24 -4.98 118.95 124.27 2cr5 s ARG 72 Ca 0.41 -0.09 -0.28 0.00 -1.00 0.00 0.00 55.73 54.76 2cr5 s ARG 72 Cb -0.12 0.11 -0.00 0.00 0.00 0.00 0.00 34.95 34.94 2cr5 s ARG 72 CO 0.18 -0.05 1.57 0.00 0.00 0.00 0.00 175.30 177.00 2cr5 s ALA 73 N -0.53 2.94 0.52 6.12 0.00 -1.26 -2.96 121.76 126.59 2cr5 s ALA 73 Ca -0.06 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.72 2cr5 s ALA 73 Cb -0.04 -3.99 -0.06 0.00 0.00 0.00 0.00 23.12 19.03 2cr5 s ALA 73 CO 0.00 -2.56 0.94 -0.51 0.00 0.00 0.00 175.76 173.64 2cr5 s LEU 74 N 6.10 3.55 -0.01 0.00 2.01 -1.11 -5.01 118.68 124.21 2cr5 s LEU 74 Ca 0.68 1.38 0.02 0.00 0.01 0.00 0.00 54.13 56.22 2cr5 s LEU 74 Cb -0.17 -4.34 -0.03 0.00 0.01 0.00 0.00 46.19 41.66 2cr5 s LEU 74 CO 0.32 -0.63 -0.05 -1.83 1.01 0.00 0.00 176.35 175.17 2cr5 s GLU 75 N -4.42 2.64 -0.52 1.70 -1.05 -1.26 -4.75 118.70 111.04 2cr5 s GLU 75 Ca 0.55 -0.67 -0.19 0.00 -0.15 0.00 0.00 54.97 54.51 2cr5 s GLU 75 Cb -0.10 -2.56 0.06 0.00 -0.44 0.00 0.00 34.13 31.09 2cr5 s GLU 75 CO 0.39 0.62 0.66 0.08 0.95 0.00 0.00 175.26 177.95 2cr5 s VAL 76 N -1.00 4.83 -0.24 1.83 1.01 -1.26 -5.03 120.40 120.54 2cr5 s VAL 76 Ca 0.17 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 2cr5 s VAL 76 Cb -0.11 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2cr5 s VAL 76 CO 0.07 -0.87 0.55 -0.70 0.00 0.00 0.00 175.10 174.16 2cr5 s GLU 77 N 2.72 4.12 0.43 2.72 2.56 -1.26 -4.94 118.70 125.05 2cr5 s GLU 77 Ca 0.16 0.42 0.24 0.00 0.00 0.00 0.00 54.97 55.79 2cr5 s GLU 77 Cb -0.19 -3.62 0.72 0.00 2.00 0.00 0.00 34.13 33.03 2cr5 s GLU 77 CO 0.12 -0.31 1.74 0.78 -0.56 0.00 0.00 175.26 177.02 2cr5 h GLY 78 N 8.57 0.00 0.53 -1.50 0.00 -1.99 -3.29 103.07 105.38 2cr5 h GLY 78 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.71 2cr5 h GLY 78 CO 0.74 0.00 -1.73 -1.33 0.00 0.00 0.00 176.54 174.22 2cr5 h GLY 79 N 2.70 0.26 -5.78 4.60 0.00 -2.03 -3.46 103.07 99.37 2cr5 h GLY 79 Ca -0.00 -0.68 -0.59 0.00 0.00 0.00 0.00 47.33 46.06 2cr5 h GLY 79 CO 0.03 0.59 0.25 -0.56 0.00 0.00 0.00 176.54 176.85 2cr5 s SER 80 N -7.04 6.79 1.34 0.19 0.01 -1.24 -5.05 113.70 108.69 2cr5 s SER 80 Ca -0.22 0.96 -0.22 0.00 1.31 0.00 0.00 55.95 57.79 2cr5 s SER 80 Cb 0.06 -2.39 0.33 0.00 0.21 0.00 0.00 66.02 64.22 2cr5 s SER 80 CO 0.75 -0.35 0.98 -1.54 0.41 0.00 0.00 173.24 173.49 2cr5 n SER 81 N 5.24 -2.88 -0.21 2.44 3.41 -1.26 -4.34 113.62 116.02 2cr5 n SER 81 Ca 0.01 -1.04 -0.00 0.00 -0.26 0.00 0.00 58.87 57.58 2cr5 n SER 81 Cb 0.49 -0.98 0.11 0.00 -0.26 0.00 0.00 64.21 63.57 2cr5 n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2cr5 h LEU 82 N 0.00 0.36 -0.72 1.04 3.38 -1.42 -1.10 115.31 116.85 2cr5 h LEU 82 Ca -0.39 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 2cr5 h LEU 82 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2cr5 h LEU 82 CO 0.25 0.22 -0.53 -0.08 0.09 0.00 0.00 178.44 178.38 2cr5 h GLU 83 N 0.51 0.29 -0.88 1.13 4.81 -1.71 0.11 114.58 118.83 2cr5 h GLU 83 Ca 0.31 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2cr5 h GLU 83 Cb 0.31 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2cr5 h GLU 83 CO -0.26 0.75 0.51 -0.44 -0.73 0.00 0.00 179.01 178.84 2cr5 h ASP 84 N 0.23 1.08 0.79 1.04 3.32 -1.54 -2.49 116.42 118.84 2cr5 h ASP 84 Ca 0.00 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 56.78 2cr5 h ASP 84 Cb 1.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 2cr5 h ASP 84 CO 0.09 0.85 -0.91 0.16 -1.72 0.00 0.00 179.24 177.71 2cr5 h ILE 85 N 1.23 1.59 0.00 0.35 3.07 -1.21 -3.47 117.51 119.06 2cr5 h ILE 85 Ca 0.31 -2.93 0.00 0.00 1.55 0.00 0.00 64.86 63.80 2cr5 h ILE 85 Cb -0.01 2.61 0.00 0.00 -0.27 0.00 0.00 36.82 39.15 2cr5 h ILE 85 CO -0.05 0.84 0.00 0.61 -1.05 0.00 0.00 178.15 178.50 2cr5 n GLY 86 N 1.01 0.55 2.46 0.16 0.00 -0.90 -5.10 105.19 103.37 2cr5 n GLY 86 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 1.14 0.55 -0.61 2.08 0.32 -4.82 119.36 118.02 2cr5 n ILE 87 Ca 0.00 -4.89 0.08 0.00 0.56 0.00 0.00 62.75 58.50 2cr5 n ILE 87 Cb 0.00 -1.24 -0.11 0.00 -0.75 0.00 0.00 39.64 37.54 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N 0.43 0.00 -4.23 1.39 -2.24 -1.26 -4.10 114.28 104.27 2cr5 n THR 88 Ca 0.27 -0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 2cr5 n THR 88 Cb 0.51 0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 69.34 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -2.79 1.17 -0.12 2.28 -7.23 -1.26 -4.86 120.40 107.58 2cr5 s VAL 89 Ca 0.02 -1.26 -0.31 0.00 -1.81 0.00 0.00 61.98 58.63 2cr5 s VAL 89 Cb 0.12 -1.10 -0.15 0.00 0.56 0.00 0.00 36.38 35.81 2cr5 s VAL 89 CO 0.70 -0.15 0.91 -0.67 -0.31 0.00 0.00 175.10 175.59 2cr5 n ASP 90 N 1.41 0.30 -3.80 4.85 2.03 -1.26 -4.82 116.55 115.26 2cr5 n ASP 90 Ca -0.20 0.85 -0.13 0.00 0.52 0.00 0.00 54.79 55.83 2cr5 n ASP 90 Cb 0.54 -0.66 -0.14 0.00 -0.72 0.00 0.00 41.12 40.14 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2cr5 s THR 91 N 0.75 -0.02 -0.18 5.18 2.01 -0.95 -4.96 115.64 117.47 2cr5 s THR 91 Ca 0.70 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.68 2cr5 s THR 91 Cb -0.99 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 2cr5 s THR 91 CO 0.48 0.03 0.13 -0.69 -0.69 0.00 0.00 174.62 173.88 2cr5 s VAL 92 N 0.50 5.41 0.41 3.82 1.01 -1.26 -2.73 120.40 127.56 2cr5 s VAL 92 Ca -0.04 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.21 2cr5 s VAL 92 Cb -0.05 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2cr5 s VAL 92 CO -0.02 0.48 0.45 -0.76 0.00 0.00 0.00 175.10 175.25 2cr5 s LEU 93 N 0.02 3.51 -0.01 3.92 1.43 0.72 -2.59 118.68 125.67 2cr5 s LEU 93 Ca 0.10 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2cr5 s LEU 93 Cb -0.11 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2cr5 s LEU 93 CO -0.00 -0.68 -0.01 0.20 0.23 0.00 0.00 176.35 176.09 2cr5 s ASN 94 N -4.21 0.27 -0.43 2.29 -0.87 -0.97 -2.11 114.94 108.91 2cr5 s ASN 94 Ca 0.50 -0.02 -0.13 0.00 -1.57 0.00 0.00 52.86 51.64 2cr5 s ASN 94 Cb -0.06 -0.10 0.06 0.00 -0.02 0.00 0.00 41.25 41.13 2cr5 s ASN 94 CO 0.30 -0.04 0.31 -0.69 -2.57 0.00 0.00 177.10 174.41 2cr5 s VAL 95 N 0.49 4.89 0.39 1.60 1.01 -0.71 -2.86 120.40 125.20 2cr5 s VAL 95 Ca -0.04 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 60.99 2cr5 s VAL 95 Cb -0.07 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 2cr5 s VAL 95 CO -0.01 -0.45 0.10 -1.61 0.00 0.00 0.00 175.10 173.13 2cr5 s GLU 96 N 1.58 2.14 0.16 2.72 2.02 -1.21 -4.11 118.70 122.00 2cr5 s GLU 96 Ca 0.04 -1.84 -0.29 0.00 0.02 0.00 0.00 54.97 52.90 2cr5 s GLU 96 Cb -0.22 -1.92 -0.07 0.00 0.10 0.00 0.00 34.13 32.02 2cr5 s GLU 96 CO 0.06 -0.01 0.90 -1.21 0.02 0.00 0.00 175.26 175.02 2cr5 s GLU 97 N -3.81 4.71 0.77 1.61 8.01 -1.26 -2.81 118.70 125.93 2cr5 s GLU 97 Ca 0.38 1.37 -0.11 0.00 0.01 0.00 0.00 54.97 56.62 2cr5 s GLU 97 Cb 0.03 -3.32 0.06 0.00 -4.31 0.00 0.00 34.13 26.59 2cr5 s GLU 97 CO 0.21 0.40 1.09 0.15 0.01 0.00 0.00 175.26 177.12 2cr5 s LYS 98 N -0.66 2.24 -0.30 1.61 1.02 -1.25 -4.86 119.74 117.54 2cr5 s LYS 98 Ca 0.42 1.18 0.03 0.00 0.02 0.00 0.00 55.97 57.62 2cr5 s LYS 98 Cb -0.24 -1.89 0.08 0.00 -0.52 0.00 0.00 37.83 35.26 2cr5 s LYS 98 CO 0.29 -1.65 -0.02 -2.00 -0.92 0.00 0.00 175.35 171.05 2cr5 s GLU 99 N -4.88 1.88 0.31 1.68 2.12 -1.26 -5.07 118.70 113.49 2cr5 s GLU 99 Ca 0.61 -1.61 0.08 0.00 0.36 0.00 0.00 54.97 54.42 2cr5 s GLU 99 Cb -0.17 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 2cr5 s GLU 99 CO 0.56 -0.76 0.17 -0.65 -0.54 0.00 0.00 175.26 174.04 2cr5 s GLN 100 N 1.01 2.54 -0.01 4.30 -1.52 -1.26 -5.09 119.66 119.64 2cr5 s GLN 100 Ca 0.01 -1.38 -0.01 0.00 -1.95 0.00 0.00 55.36 52.03 2cr5 s GLN 100 Cb -0.20 -2.32 -0.00 0.00 -0.22 0.00 0.00 33.01 30.28 2cr5 s GLN 100 CO -0.06 0.19 -0.01 0.43 -0.25 0.00 0.00 175.29 175.58 2cr5 n SER 101 N -1.18 0.10 -4.02 5.90 7.64 -1.26 -5.09 113.62 115.72 2cr5 n SER 101 Ca -0.04 0.02 -0.11 0.00 1.01 0.00 0.00 58.87 59.75 2cr5 n SER 101 Cb 0.60 -0.36 -0.11 0.00 -1.01 0.00 0.00 64.21 63.33 2cr5 n SER 101 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cr5 s SER 102 N -4.41 0.52 -0.28 6.43 0.15 -1.26 -5.06 113.70 109.79 2cr5 s SER 102 Ca -0.01 -0.54 0.14 0.00 0.70 0.00 0.00 55.95 56.24 2cr5 s SER 102 Cb 0.00 0.07 0.48 0.00 -1.71 0.00 0.00 66.02 64.87 2cr5 s SER 102 CO 0.02 -0.27 1.15 0.00 1.20 0.00 0.00 173.24 175.34 2cr5 n GLN 103 N 1.49 2.73 -4.05 5.44 10.64 -1.26 -5.07 117.38 127.30 2cr5 n GLN 103 Ca -0.23 -3.87 -0.24 0.00 -1.83 0.00 0.00 57.00 50.82 2cr5 n GLN 103 Cb 0.55 -1.96 -0.04 0.00 -0.86 0.00 0.00 30.24 27.92 2cr5 n GLN 103 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2cr5 s SER 104 N -3.68 5.79 0.00 2.61 0.01 -1.26 -4.89 113.70 112.28 2cr5 s SER 104 Ca 0.40 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2cr5 s SER 104 Cb 0.37 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 65.02 2cr5 s SER 104 CO -0.00 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2cr5 n GLY 105 N -0.74 -1.51 0.19 3.44 0.00 -1.26 -4.73 105.19 100.58 2cr5 n GLY 105 Ca -0.08 -2.22 -0.03 0.00 0.00 0.00 0.00 46.02 43.70 2cr5 n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 h PRO 106 N 4.54 0.23 -5.11 1.61 0.13 -2.06 -3.41 132.00 127.94 2cr5 h PRO 106 Ca 0.00 -0.12 -0.66 0.00 -0.87 0.00 0.00 66.00 64.35 2cr5 h PRO 106 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.97 2cr5 h PRO 106 CO 0.00 0.65 -0.10 0.45 -0.23 0.00 0.00 178.00 178.76 2cr5 s SER 107 N -6.88 6.26 -0.19 1.44 0.15 -1.26 -5.02 113.70 108.19 2cr5 s SER 107 Ca -0.04 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.24 2cr5 s SER 107 Cb 0.13 -2.25 0.08 0.00 -1.71 0.00 0.00 66.02 62.27 2cr5 s SER 107 CO 0.78 -0.55 0.18 -0.55 1.20 0.00 0.00 173.24 174.30 2cr5 s SER 108 N 1.82 1.68 0.00 5.45 0.15 -1.26 -4.77 113.70 116.77 2cr5 s SER 108 Ca 0.16 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2cr5 s SER 108 Cb -0.16 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2cr5 s SER 108 CO 0.14 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.86